Model name? MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "property-id": "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "instance-id": 1, "prototype-label": { "source-value": "A2B5_mC28_15_f_e2f" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 11.234929928428233, "source-unit": "angstrom", "si-unit": "m", "si-value": 1.123492992842823e-09 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "y1", "x2", "y2", "z2", "x3", "y3", "z3", "x4", "y4", "z4" ] }, "parameter-values": { "source-value": [ 0.42472470666329754, 0.4468002986883784, 80.90760525070152, 0.5544700195200984, 0.6171745239144182, 0.19748804597590167, 0.9111239776967639, 0.09458982196358723, 0.9385674623523419, 0.5964733752698224, 0.7161864807937353, 0.8915113310132552, 0.6992855777017595 ] }, "cell-cauchy-stress": { "source-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ], "source-unit": "eV/angstrom^3", "si-unit": "kg / m s^2", "si-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ] }, "temperature": { "source-value": 0.0, "source-unit": "K", "si-unit": "K", "si-value": 0.0 }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_908245700773_000" ] ] }, "coordinates-file": { "source-value": "instance-1.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-1.poscar" }, "meta": { "uuid": "TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "path": "tr/TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "type": "tr", "_id": "TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "short-id": "TE_712723756130_003", "kimid-prefix": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "kimid-typecode": "te", "kimid-number": "712723756130", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "type": "te", "kimnum": "712723756130", "version": 3, "shortcode": "TE_712723756130", "kimcode": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "path": "te/EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "approved": true, "_id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "makeable": true, "runner": true, "driver": { "extended-id": "EquilibriumCrystalStructure__TD_457028483760_003", "short-id": "TD_457028483760_003", "kimid-prefix": "EquilibriumCrystalStructure", "kimid-typecode": "td", "kimid-number": "457028483760", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure", "type": "td", "kimnum": "457028483760", "version": 3, "shortcode": "TD_457028483760", "kimcode": "EquilibriumCrystalStructure__TD_457028483760_003", "path": "td/EquilibriumCrystalStructure__TD_457028483760_003", "approved": true, "_id": "EquilibriumCrystalStructure__TD_457028483760_003", "makeable": true, "driver": true, "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guesses for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation are used:\n1) a (angstrom): 11.8274, b/a: 0.4275665, c/a: 0.44659012, beta: 81.5056, y1: 0.41328487, x2: 0.8837067, y2: 0.70242178, z2: 0.094352322, x3: 0.9035336, y3: 0.93194864, z3: 0.4066338, x4: 0.78565419, y4: 0.39551601, z4: 0.29387664, obtained from OpenKIM Reference Data item RD_908245700773_000\n2) a (angstrom): 12.1357, b/a: 0.40989807, c/a: 0.43385219, beta: 78.1354, y1: 0.58118591, x2: 0.6160505, y2: 0.19947948, z2: 0.90490285, x3: 0.59809401, y3: 0.43498172, z3: 0.59873978, x4: 0.71184084, y4: 0.90265553, z4: 0.69440332, obtained from OpenKIM Reference Data item RD_196807244970_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-04-22 16:18:03.246727" }, "subject": { "extended-id": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "short-id": "MO_856956178669_002", "kimid-prefix": "MEAM_LAMMPS_Lee_2006_FeC", "kimid-typecode": "mo", "kimid-number": "856956178669", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_Lee_2006_FeC", "type": "mo", "kimnum": "856956178669", "version": 2, "shortcode": "MO_856956178669", "kimcode": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "path": "mo/MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "approved": true, "_id": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "makeable": true, "subject": true, "driver": { "extended-id": "MEAM_LAMMPS__MD_249792265679_002", "short-id": "MD_249792265679_002", "kimid-prefix": "MEAM_LAMMPS", "kimid-typecode": "md", "kimid-number": "249792265679", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS", "type": "md", "kimnum": "249792265679", "version": 2, "shortcode": "MD_249792265679", "kimcode": "MEAM_LAMMPS__MD_249792265679_002", "path": "md/MEAM_LAMMPS__MD_249792265679_002", "approved": true, "_id": "MEAM_LAMMPS__MD_249792265679_002", "makeable": true, "driver": true, "content-origin": "The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.)", "developer": [ "553f9aa4-98a2-477b-852f-a65cd9e1ace3", "05936d64-2312-402a-9873-5b6799e9f6db", "6ee0e203-4072-42b5-97a0-cf937edf5de8", "d5c826b2-1048-431c-bab6-0347f1c80c45", "98b95738-bd12-4464-9ed8-862e8be644e9", "f15f5ddf-8896-4f23-a4de-d96898caab64", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e", "57339548-c8c4-4b8b-a24b-6cecf2787096", "8ae4480b-2d4b-4f8c-b68d-6f8e2101d5a2", "d08eaec4-2289-4e6a-9fc7-c28d98c4156f", "cce68d90-29c8-48fa-a6fd-f806fa6d0f76", "a00983fc-9660-4769-82b0-5b90133a74be" ], "doi": "10.25950/ee5eba52", "domain": "openkim.org", "executables": [], "implementer": [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "a8c5e51f-f163-4842-b527-9ac69c3d33e2", "0f9bf091-9a1c-49e0-b107-a3bcc7d1dfa4", "27a42ac6-f00e-42a8-a1d3-54851ab2d08d", "d95e1403-9d6f-4dd4-ba80-1ccbf94dc75b", "44969c60-361d-4f11-87b8-6a5e35597d34", "741dc3be-59fb-4e5b-8653-c63be9d4ee5d", "e632a391-ea42-4bf6-8737-e71c296a067a" ], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "publication-year": "2023", "simulator-potential-compatibility": [ { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/spline" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/sw/spline" } ], "source-citations": [ { "author": "Baskes, M.I. and Nelson, J.S. and Wright, A.F.", "doi": "10.1103/PhysRevB.40.6085", "journal": "Phys. Rev. B", "pages": "6085--6100", "recordkey": "MD_249792265679_002a", "recordtype": "article", "title": "Semiempirical modified embedded-atom potentials for silicon and germanium", "volume": "40", "year": "1989" }, { "author": "Baskes, M.I.", "doi": "10.1103/PhysRevB.46.2727", "journal": "Phys. Rev. B", "pages": "2727--2742", "recordkey": "MD_249792265679_002b", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom potentials for cubic materials and impurities", "volume": "46", "year": "1992" }, { "author": "Lee, B.J. and Baskes, M.I.", "doi": "10.1103/PhysRevB.62.8564", "journal": "Phys. Rev. B", "pages": "8564--8567", "recordkey": "MD_249792265679_002c", "recordtype": "article", "title": "Second nearest-neighbor modified embedded-atom-method potential", "volume": "62", "year": "2000" }, { "author": "Lenosky, T.J. and Sadigh, B. and Alonso, E. and Bulatov, V.V. and de la Rubia, T.D. and Kim, J. and Voter, A.F. and Kress, J.D.", "doi": "10.1088/0965-0393/8/6/305", "journal": "Model. Simul. Mat. Sci. Eng", "pages": "825--841", "recordkey": "MD_249792265679_002d", "recordtype": "article", "title": "Highly optimized empirical potential model of silicon", "volume": "8", "year": "2000" } ], "title": "The modified embedded atom method (MEAM) potential v002", "created_on": "2024-10-01 20:38:58.516366" }, "content-origin": "http://cmse.postech.ac.kr/home_2nnmeam", "contributor-id": "95e0e2ff-c708-4e28-830e-8655b8198fe1", "description": "A modified embedded-atom method (MEAM) interatomic potential for the Fe\u2013C binary system has been developed using previous MEAM potentials of Fe and C. The potential parameters were determined by fitting to experimental information on the dilute heat of solution of carbon, the vacancy\u2013carbon binding energy and its configuration, the location of interstitial carbon atoms and the migration energy of carbon atoms in body-centered cubic (bcc) Fe, and to a first-principles calculation result for the cohesive energy of a hypothetical NaCl-type FeC. The potential reproduces the known physical properties of carbon as an interstitial solute element in bcc Fe and face-centered cubic Fe very well.", "developer": [ "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/bc256b3a", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "95e0e2ff-c708-4e28-830e-8655b8198fe1", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2005.09.034", "journal": "Acta materialia", "number": "3", "pages": "701--711", "publisher": "Elsevier", "recordkey": "MO_856956178669_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "A modified embedded-atom method interatomic potential for the {F}e--{C} system", "volume": "54", "year": "2006" } ], "species": [ "Fe", "C" ], "title": "MEAM Potential for the Fe-C system developed by Lee (2008) v002", "created_on": "2023-05-09 18:57:11.792419" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "created_on": "2025-06-23 18:21:56.924986", "dependencies": [] }, "created_on": "2025-06-23 18:21:56.924986", "inserted_on": "2025-06-23 18:22:20.189510", "latest": true }, { "property-id": "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "instance-id": 4, "prototype-label": { "source-value": "A2B5_mC28_15_f_e2f" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 11.607941275240181, "source-unit": "angstrom", "si-unit": "m", "si-value": 1.160794127524018e-09 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "y1", "x2", "y2", "z2", "x3", "y3", "z3", "x4", "y4", "z4" ] }, "parameter-values": { "source-value": [ 0.4092279382843012, 0.4354640350572624, 77.96480500319309, 0.449913133341058, 0.3764518764358704, 0.19443872803177323, 0.08719497796412501, 0.9006272630699088, 0.9407536732204674, 0.3900308559762373, 0.2858589821150852, 0.8955253257301256, 0.3069607565916632 ] }, "cell-cauchy-stress": { "source-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ], "source-unit": "eV/angstrom^3", "si-unit": "kg / m s^2", "si-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ] }, "temperature": { "source-value": 0.0, "source-unit": "K", "si-unit": "K", "si-value": 0.0 }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_196807244970_000" ] ] }, "coordinates-file": { "source-value": "instance-4.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-4.poscar" }, "meta": { "uuid": "TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "path": "tr/TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "type": "tr", "_id": "TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "short-id": "TE_712723756130_003", "kimid-prefix": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "kimid-typecode": "te", "kimid-number": "712723756130", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "type": "te", "kimnum": "712723756130", "version": 3, "shortcode": "TE_712723756130", "kimcode": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "path": "te/EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "approved": true, "_id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "makeable": true, "runner": true, "driver": { "extended-id": "EquilibriumCrystalStructure__TD_457028483760_003", "short-id": "TD_457028483760_003", "kimid-prefix": "EquilibriumCrystalStructure", "kimid-typecode": "td", "kimid-number": "457028483760", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure", "type": "td", "kimnum": "457028483760", "version": 3, "shortcode": "TD_457028483760", "kimcode": "EquilibriumCrystalStructure__TD_457028483760_003", "path": "td/EquilibriumCrystalStructure__TD_457028483760_003", "approved": true, "_id": "EquilibriumCrystalStructure__TD_457028483760_003", "makeable": true, "driver": true, "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guesses for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation are used:\n1) a (angstrom): 11.8274, b/a: 0.4275665, c/a: 0.44659012, beta: 81.5056, y1: 0.41328487, x2: 0.8837067, y2: 0.70242178, z2: 0.094352322, x3: 0.9035336, y3: 0.93194864, z3: 0.4066338, x4: 0.78565419, y4: 0.39551601, z4: 0.29387664, obtained from OpenKIM Reference Data item RD_908245700773_000\n2) a (angstrom): 12.1357, b/a: 0.40989807, c/a: 0.43385219, beta: 78.1354, y1: 0.58118591, x2: 0.6160505, y2: 0.19947948, z2: 0.90490285, x3: 0.59809401, y3: 0.43498172, z3: 0.59873978, x4: 0.71184084, y4: 0.90265553, z4: 0.69440332, obtained from OpenKIM Reference Data item RD_196807244970_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-04-22 16:18:03.246727" }, "subject": { "extended-id": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "short-id": "MO_856956178669_002", "kimid-prefix": "MEAM_LAMMPS_Lee_2006_FeC", "kimid-typecode": "mo", "kimid-number": "856956178669", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_Lee_2006_FeC", "type": "mo", "kimnum": "856956178669", "version": 2, "shortcode": "MO_856956178669", "kimcode": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "path": "mo/MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "approved": true, "_id": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "makeable": true, "subject": true, "driver": { "extended-id": "MEAM_LAMMPS__MD_249792265679_002", "short-id": "MD_249792265679_002", "kimid-prefix": "MEAM_LAMMPS", "kimid-typecode": "md", "kimid-number": "249792265679", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS", "type": "md", "kimnum": "249792265679", "version": 2, "shortcode": "MD_249792265679", "kimcode": "MEAM_LAMMPS__MD_249792265679_002", "path": "md/MEAM_LAMMPS__MD_249792265679_002", "approved": true, "_id": "MEAM_LAMMPS__MD_249792265679_002", "makeable": true, "driver": true, "content-origin": "The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.)", "developer": [ "553f9aa4-98a2-477b-852f-a65cd9e1ace3", "05936d64-2312-402a-9873-5b6799e9f6db", "6ee0e203-4072-42b5-97a0-cf937edf5de8", "d5c826b2-1048-431c-bab6-0347f1c80c45", "98b95738-bd12-4464-9ed8-862e8be644e9", "f15f5ddf-8896-4f23-a4de-d96898caab64", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e", "57339548-c8c4-4b8b-a24b-6cecf2787096", "8ae4480b-2d4b-4f8c-b68d-6f8e2101d5a2", "d08eaec4-2289-4e6a-9fc7-c28d98c4156f", "cce68d90-29c8-48fa-a6fd-f806fa6d0f76", "a00983fc-9660-4769-82b0-5b90133a74be" ], "doi": "10.25950/ee5eba52", "domain": "openkim.org", "executables": [], "implementer": [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "a8c5e51f-f163-4842-b527-9ac69c3d33e2", "0f9bf091-9a1c-49e0-b107-a3bcc7d1dfa4", "27a42ac6-f00e-42a8-a1d3-54851ab2d08d", "d95e1403-9d6f-4dd4-ba80-1ccbf94dc75b", "44969c60-361d-4f11-87b8-6a5e35597d34", "741dc3be-59fb-4e5b-8653-c63be9d4ee5d", "e632a391-ea42-4bf6-8737-e71c296a067a" ], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "publication-year": "2023", "simulator-potential-compatibility": [ { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/spline" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/sw/spline" } ], "source-citations": [ { "author": "Baskes, M.I. and Nelson, J.S. and Wright, A.F.", "doi": "10.1103/PhysRevB.40.6085", "journal": "Phys. Rev. B", "pages": "6085--6100", "recordkey": "MD_249792265679_002a", "recordtype": "article", "title": "Semiempirical modified embedded-atom potentials for silicon and germanium", "volume": "40", "year": "1989" }, { "author": "Baskes, M.I.", "doi": "10.1103/PhysRevB.46.2727", "journal": "Phys. Rev. B", "pages": "2727--2742", "recordkey": "MD_249792265679_002b", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom potentials for cubic materials and impurities", "volume": "46", "year": "1992" }, { "author": "Lee, B.J. and Baskes, M.I.", "doi": "10.1103/PhysRevB.62.8564", "journal": "Phys. Rev. B", "pages": "8564--8567", "recordkey": "MD_249792265679_002c", "recordtype": "article", "title": "Second nearest-neighbor modified embedded-atom-method potential", "volume": "62", "year": "2000" }, { "author": "Lenosky, T.J. and Sadigh, B. and Alonso, E. and Bulatov, V.V. and de la Rubia, T.D. and Kim, J. and Voter, A.F. and Kress, J.D.", "doi": "10.1088/0965-0393/8/6/305", "journal": "Model. Simul. Mat. Sci. Eng", "pages": "825--841", "recordkey": "MD_249792265679_002d", "recordtype": "article", "title": "Highly optimized empirical potential model of silicon", "volume": "8", "year": "2000" } ], "title": "The modified embedded atom method (MEAM) potential v002", "created_on": "2024-10-01 20:38:58.516366" }, "content-origin": "http://cmse.postech.ac.kr/home_2nnmeam", "contributor-id": "95e0e2ff-c708-4e28-830e-8655b8198fe1", "description": "A modified embedded-atom method (MEAM) interatomic potential for the Fe\u2013C binary system has been developed using previous MEAM potentials of Fe and C. The potential parameters were determined by fitting to experimental information on the dilute heat of solution of carbon, the vacancy\u2013carbon binding energy and its configuration, the location of interstitial carbon atoms and the migration energy of carbon atoms in body-centered cubic (bcc) Fe, and to a first-principles calculation result for the cohesive energy of a hypothetical NaCl-type FeC. The potential reproduces the known physical properties of carbon as an interstitial solute element in bcc Fe and face-centered cubic Fe very well.", "developer": [ "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/bc256b3a", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "95e0e2ff-c708-4e28-830e-8655b8198fe1", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2005.09.034", "journal": "Acta materialia", "number": "3", "pages": "701--711", "publisher": "Elsevier", "recordkey": "MO_856956178669_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "A modified embedded-atom method interatomic potential for the {F}e--{C} system", "volume": "54", "year": "2006" } ], "species": [ "Fe", "C" ], "title": "MEAM Potential for the Fe-C system developed by Lee (2008) v002", "created_on": "2023-05-09 18:57:11.792419" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_856956178669_002-1750699546-tr", "created_on": "2025-06-23 18:21:56.924986", "dependencies": [] }, "created_on": "2025-06-23 18:21:56.924986", "inserted_on": "2025-06-23 18:22:20.449681", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.004054830648746566 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. NOTE: The configuration you provided has a maximum stress component 0.0002536081551810232 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:04:24 -72.494163 0.032086 LBFGSLineSearch: 1 00:04:25 -72.494219 0.023451 LBFGSLineSearch: 2 00:04:27 -72.494317 0.042217 LBFGSLineSearch: 3 00:04:28 -72.494371 0.012322 LBFGSLineSearch: 4 00:04:29 -72.494408 0.019280 LBFGSLineSearch: 5 00:04:31 -72.494427 0.007454 LBFGSLineSearch: 6 00:04:32 -72.494440 0.007362 LBFGSLineSearch: 7 00:04:33 -72.494449 0.005842 LBFGSLineSearch: 8 00:04:34 -72.494455 0.004907 LBFGSLineSearch: 9 00:04:34 -72.494457 0.002758 LBFGSLineSearch: 10 00:04:35 -72.494458 0.002414 LBFGSLineSearch: 11 00:04:37 -72.494459 0.002748 LBFGSLineSearch: 12 00:04:38 -72.494461 0.002754 LBFGSLineSearch: 13 00:04:39 -72.494462 0.002760 LBFGSLineSearch: 14 00:04:40 -72.494464 0.002310 LBFGSLineSearch: 15 00:04:42 -72.494465 0.001631 LBFGSLineSearch: 16 00:04:43 -72.494466 0.000557 LBFGSLineSearch: 17 00:04:44 -72.494466 0.000331 LBFGSLineSearch: 18 00:04:45 -72.494466 0.000528 LBFGSLineSearch: 19 00:04:45 -72.494466 0.000095 LBFGSLineSearch: 20 00:04:46 -72.494466 0.000082 LBFGSLineSearch: 21 00:04:46 -72.494466 0.000043 LBFGSLineSearch: 22 00:04:47 -72.494466 0.000078 LBFGSLineSearch: 23 00:04:49 -72.494466 0.000031 LBFGSLineSearch: 24 00:04:50 -72.494466 0.000020 LBFGSLineSearch: 25 00:04:51 -72.494466 0.000000 Minimization converged after 25 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:05:00 -72.443761 0.003622 LBFGSLineSearch: 1 00:05:01 -72.443762 0.004363 LBFGSLineSearch: 2 00:05:02 -72.443763 0.005097 LBFGSLineSearch: 3 00:05:03 -72.443764 0.002851 LBFGSLineSearch: 4 00:05:04 -72.443764 0.001718 LBFGSLineSearch: 5 00:05:05 -72.443765 0.001935 LBFGSLineSearch: 6 00:05:06 -72.443765 0.000776 LBFGSLineSearch: 7 00:05:07 -72.443765 0.001137 LBFGSLineSearch: 8 00:05:08 -72.443765 0.000423 LBFGSLineSearch: 9 00:05:09 -72.443765 0.000321 LBFGSLineSearch: 10 00:05:10 -72.443765 0.000501 LBFGSLineSearch: 11 00:05:12 -72.443765 0.000304 LBFGSLineSearch: 12 00:05:14 -72.443765 0.000212 LBFGSLineSearch: 13 00:05:16 -72.443765 0.000045 LBFGSLineSearch: 14 00:05:17 -72.443765 0.000094 LBFGSLineSearch: 15 00:05:18 -72.443765 0.000010 LBFGSLineSearch: 16 00:05:20 -72.443765 0.000006 Minimization converged after 16 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:05:29 -72.386861 0.004066 LBFGSLineSearch: 1 00:05:32 -72.386862 0.004904 LBFGSLineSearch: 2 00:05:34 -72.386864 0.005742 LBFGSLineSearch: 3 00:05:35 -72.386865 0.003189 LBFGSLineSearch: 4 00:05:36 -72.386865 0.001930 LBFGSLineSearch: 5 00:05:36 -72.386865 0.002159 LBFGSLineSearch: 6 00:05:37 -72.386866 0.000865 LBFGSLineSearch: 7 00:05:38 -72.386866 0.001272 LBFGSLineSearch: 8 00:05:39 -72.386866 0.000453 LBFGSLineSearch: 9 00:05:40 -72.386866 0.000360 LBFGSLineSearch: 10 00:05:41 -72.386866 0.000566 LBFGSLineSearch: 11 00:05:42 -72.386866 0.000340 LBFGSLineSearch: 12 00:05:43 -72.386866 0.000237 LBFGSLineSearch: 13 00:05:44 -72.386866 0.000054 LBFGSLineSearch: 14 00:05:45 -72.386866 0.000101 LBFGSLineSearch: 15 00:05:46 -72.386866 0.000012 LBFGSLineSearch: 16 00:05:47 -72.386866 0.000009 Minimization converged after 16 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:05:56 -72.323006 0.004564 LBFGSLineSearch: 1 00:05:57 -72.323007 0.005522 LBFGSLineSearch: 2 00:05:59 -72.323009 0.006497 LBFGSLineSearch: 3 00:06:01 -72.323010 0.003562 LBFGSLineSearch: 4 00:06:02 -72.323011 0.002174 LBFGSLineSearch: 5 00:06:05 -72.323011 0.002402 LBFGSLineSearch: 6 00:06:06 -72.323012 0.000964 LBFGSLineSearch: 7 00:06:07 -72.323012 0.001423 LBFGSLineSearch: 8 00:06:07 -72.323012 0.000491 LBFGSLineSearch: 9 00:06:08 -72.323012 0.000405 LBFGSLineSearch: 10 00:06:09 -72.323012 0.000639 LBFGSLineSearch: 11 00:06:10 -72.323013 0.000380 LBFGSLineSearch: 12 00:06:11 -72.323013 0.000268 LBFGSLineSearch: 13 00:06:11 -72.323013 0.000225 LBFGSLineSearch: 14 00:06:12 -72.323013 0.000051 LBFGSLineSearch: 15 00:06:15 -72.323013 0.000046 LBFGSLineSearch: 16 00:06:16 -72.323013 0.000012 LBFGSLineSearch: 17 00:06:17 -72.323013 0.000007 Minimization converged after 17 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:06:25 -72.251347 0.005121 LBFGSLineSearch: 1 00:06:25 -72.251349 0.006176 LBFGSLineSearch: 2 00:06:25 -72.251351 0.007226 LBFGSLineSearch: 3 00:06:26 -72.251353 0.004000 LBFGSLineSearch: 4 00:06:27 -72.251353 0.002432 LBFGSLineSearch: 5 00:06:28 -72.251354 0.002697 LBFGSLineSearch: 6 00:06:28 -72.251355 0.001069 LBFGSLineSearch: 7 00:06:28 -72.251355 0.001584 LBFGSLineSearch: 8 00:06:29 -72.251355 0.000495 LBFGSLineSearch: 9 00:06:29 -72.251355 0.000455 LBFGSLineSearch: 10 00:06:29 -72.251355 0.000723 LBFGSLineSearch: 11 00:06:30 -72.251355 0.000423 LBFGSLineSearch: 12 00:06:30 -72.251356 0.000305 LBFGSLineSearch: 13 00:06:31 -72.251356 0.000363 LBFGSLineSearch: 14 00:06:31 -72.251356 0.000060 LBFGSLineSearch: 15 00:06:32 -72.251356 0.000015 LBFGSLineSearch: 16 00:06:33 -72.251356 0.000020 LBFGSLineSearch: 17 00:06:34 -72.251356 0.000007 Minimization converged after 17 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:06:43 -72.170933 0.005746 LBFGSLineSearch: 1 00:06:45 -72.170935 0.006922 LBFGSLineSearch: 2 00:06:46 -72.170938 0.008092 LBFGSLineSearch: 3 00:06:46 -72.170940 0.004479 LBFGSLineSearch: 4 00:06:47 -72.170941 0.002727 LBFGSLineSearch: 5 00:06:48 -72.170942 0.003011 LBFGSLineSearch: 6 00:06:49 -72.170943 0.001193 LBFGSLineSearch: 7 00:06:50 -72.170943 0.001753 LBFGSLineSearch: 8 00:06:51 -72.170944 0.000480 LBFGSLineSearch: 9 00:06:52 -72.170944 0.000512 LBFGSLineSearch: 10 00:06:53 -72.170944 0.000823 LBFGSLineSearch: 11 00:06:54 -72.170944 0.000472 LBFGSLineSearch: 12 00:06:55 -72.170944 0.000348 LBFGSLineSearch: 13 00:06:55 -72.170944 0.000396 LBFGSLineSearch: 14 00:06:56 -72.170944 0.000068 LBFGSLineSearch: 15 00:06:56 -72.170944 0.000031 LBFGSLineSearch: 16 00:06:57 -72.170944 0.000014 LBFGSLineSearch: 17 00:06:58 -72.170944 0.000007 Minimization converged after 17 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:07 -72.080697 0.006448 LBFGSLineSearch: 1 00:07:08 -72.080700 0.007774 LBFGSLineSearch: 2 00:07:09 -72.080703 0.009096 LBFGSLineSearch: 3 00:07:09 -72.080706 0.005007 LBFGSLineSearch: 4 00:07:10 -72.080707 0.003064 LBFGSLineSearch: 5 00:07:12 -72.080708 0.003356 LBFGSLineSearch: 6 00:07:13 -72.080710 0.001328 LBFGSLineSearch: 7 00:07:14 -72.080710 0.001933 LBFGSLineSearch: 8 00:07:15 -72.080710 0.000503 LBFGSLineSearch: 9 00:07:15 -72.080710 0.000655 LBFGSLineSearch: 10 00:07:16 -72.080711 0.000578 LBFGSLineSearch: 11 00:07:17 -72.080711 0.000439 LBFGSLineSearch: 12 00:07:19 -72.080711 0.000401 LBFGSLineSearch: 13 00:07:19 -72.080711 0.000336 LBFGSLineSearch: 14 00:07:20 -72.080711 0.000438 LBFGSLineSearch: 15 00:07:20 -72.080711 0.000159 LBFGSLineSearch: 16 00:07:20 -72.080711 0.000115 LBFGSLineSearch: 17 00:07:22 -72.080711 0.000058 LBFGSLineSearch: 18 00:07:23 -72.080711 0.000013 LBFGSLineSearch: 19 00:07:24 -72.080711 0.000006 Minimization converged after 19 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:31 -71.979443 0.007235 LBFGSLineSearch: 1 00:07:33 -71.979447 0.008723 LBFGSLineSearch: 2 00:07:33 -71.979451 0.010206 LBFGSLineSearch: 3 00:07:34 -71.979454 0.005600 LBFGSLineSearch: 4 00:07:35 -71.979456 0.003439 LBFGSLineSearch: 5 00:07:36 -71.979457 0.003743 LBFGSLineSearch: 6 00:07:38 -71.979459 0.001479 LBFGSLineSearch: 7 00:07:40 -71.979460 0.002113 LBFGSLineSearch: 8 00:07:41 -71.979460 0.000578 LBFGSLineSearch: 9 00:07:42 -71.979460 0.000752 LBFGSLineSearch: 10 00:07:42 -71.979460 0.000650 LBFGSLineSearch: 11 00:07:43 -71.979460 0.000497 LBFGSLineSearch: 12 00:07:43 -71.979460 0.000419 LBFGSLineSearch: 13 00:07:43 -71.979460 0.000184 LBFGSLineSearch: 14 00:07:44 -71.979460 0.000087 LBFGSLineSearch: 15 00:07:44 -71.979460 0.000042 LBFGSLineSearch: 16 00:07:45 -71.979460 0.000019 LBFGSLineSearch: 17 00:07:45 -71.979460 0.000011 LBFGSLineSearch: 18 00:07:46 -71.979460 0.000007 Minimization converged after 18 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:56 -71.865830 0.008118 LBFGSLineSearch: 1 00:07:57 -71.865834 0.009793 LBFGSLineSearch: 2 00:07:58 -71.865840 0.011465 LBFGSLineSearch: 3 00:07:59 -71.865843 0.009150 LBFGSLineSearch: 4 00:08:01 -71.865846 0.003878 LBFGSLineSearch: 5 00:08:03 -71.865847 0.004393 LBFGSLineSearch: 6 00:08:04 -71.865850 0.001721 LBFGSLineSearch: 7 00:08:05 -71.865851 0.001831 LBFGSLineSearch: 8 00:08:06 -71.865851 0.001119 LBFGSLineSearch: 9 00:08:07 -71.865851 0.000723 LBFGSLineSearch: 10 00:08:08 -71.865851 0.001133 LBFGSLineSearch: 11 00:08:09 -71.865851 0.000679 LBFGSLineSearch: 12 00:08:10 -71.865851 0.000456 LBFGSLineSearch: 13 00:08:10 -71.865851 0.000242 LBFGSLineSearch: 14 00:08:10 -71.865851 0.000101 LBFGSLineSearch: 15 00:08:11 -71.865851 0.000059 LBFGSLineSearch: 16 00:08:11 -71.865851 0.000028 LBFGSLineSearch: 17 00:08:12 -71.865851 0.000015 LBFGSLineSearch: 18 00:08:12 -71.865851 0.000006 Minimization converged after 18 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:08:21 -71.738354 0.009108 LBFGSLineSearch: 1 00:08:21 -71.738360 0.010992 LBFGSLineSearch: 2 00:08:23 -71.738367 0.012874 LBFGSLineSearch: 3 00:08:24 -71.738371 0.010048 LBFGSLineSearch: 4 00:08:25 -71.738374 0.004356 LBFGSLineSearch: 5 00:08:26 -71.738376 0.004901 LBFGSLineSearch: 6 00:08:28 -71.738380 0.001922 LBFGSLineSearch: 7 00:08:30 -71.738380 0.002115 LBFGSLineSearch: 8 00:08:33 -71.738381 0.001244 LBFGSLineSearch: 9 00:08:35 -71.738381 0.000809 LBFGSLineSearch: 10 00:08:37 -71.738381 0.001292 LBFGSLineSearch: 11 00:08:38 -71.738381 0.000757 LBFGSLineSearch: 12 00:08:39 -71.738381 0.000486 LBFGSLineSearch: 13 00:08:40 -71.738381 0.000386 LBFGSLineSearch: 14 00:08:41 -71.738381 0.000105 LBFGSLineSearch: 15 00:08:42 -71.738381 0.000109 LBFGSLineSearch: 16 00:08:43 -71.738381 0.000034 LBFGSLineSearch: 17 00:08:43 -71.738381 0.000020 LBFGSLineSearch: 18 00:08:45 -71.738381 0.000006 Minimization converged after 18 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:08:54 -71.595331 0.010219 LBFGSLineSearch: 1 00:08:55 -71.595339 0.012339 LBFGSLineSearch: 2 00:08:56 -71.595347 0.014457 LBFGSLineSearch: 3 00:08:56 -71.595353 0.011004 LBFGSLineSearch: 4 00:08:57 -71.595357 0.004894 LBFGSLineSearch: 5 00:08:58 -71.595359 0.005463 LBFGSLineSearch: 6 00:09:00 -71.595364 0.002148 LBFGSLineSearch: 7 00:09:01 -71.595364 0.002505 LBFGSLineSearch: 8 00:09:02 -71.595365 0.001372 LBFGSLineSearch: 9 00:09:02 -71.595365 0.000904 LBFGSLineSearch: 10 00:09:03 -71.595365 0.001459 LBFGSLineSearch: 11 00:09:04 -71.595365 0.000840 LBFGSLineSearch: 12 00:09:06 -71.595365 0.000600 LBFGSLineSearch: 13 00:09:06 -71.595366 0.000933 LBFGSLineSearch: 14 00:09:07 -71.595366 0.000372 LBFGSLineSearch: 15 00:09:08 -71.595366 0.000113 LBFGSLineSearch: 16 00:09:08 -71.595366 0.000153 LBFGSLineSearch: 17 00:09:09 -71.595366 0.000027 LBFGSLineSearch: 18 00:09:10 -71.595366 0.000019 LBFGSLineSearch: 19 00:09:11 -71.595366 0.000004 Minimization converged after 19 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:09:19 -71.434874 0.011465 LBFGSLineSearch: 1 00:09:20 -71.434884 0.013852 LBFGSLineSearch: 2 00:09:22 -71.434894 0.016238 LBFGSLineSearch: 3 00:09:24 -71.434902 0.012002 LBFGSLineSearch: 4 00:09:26 -71.434906 0.005499 LBFGSLineSearch: 5 00:09:29 -71.434909 0.006084 LBFGSLineSearch: 6 00:09:30 -71.434915 0.002402 LBFGSLineSearch: 7 00:09:30 -71.434916 0.002950 LBFGSLineSearch: 8 00:09:32 -71.434916 0.001503 LBFGSLineSearch: 9 00:09:33 -71.434916 0.001008 LBFGSLineSearch: 10 00:09:34 -71.434916 0.001635 LBFGSLineSearch: 11 00:09:34 -71.434917 0.000928 LBFGSLineSearch: 12 00:09:35 -71.434917 0.000714 LBFGSLineSearch: 13 00:09:35 -71.434917 0.000558 LBFGSLineSearch: 14 00:09:36 -71.434917 0.000715 LBFGSLineSearch: 15 00:09:37 -71.434917 0.000124 LBFGSLineSearch: 16 00:09:38 -71.434917 0.000042 LBFGSLineSearch: 17 00:09:38 -71.434917 0.000024 LBFGSLineSearch: 18 00:09:39 -71.434917 0.000003 Minimization converged after 18 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:09:47 -71.254868 0.012861 LBFGSLineSearch: 1 00:09:49 -71.254880 0.015551 LBFGSLineSearch: 2 00:09:49 -71.254893 0.018238 LBFGSLineSearch: 3 00:09:50 -71.254902 0.013042 LBFGSLineSearch: 4 00:09:51 -71.254908 0.006179 LBFGSLineSearch: 5 00:09:53 -71.254912 0.006769 LBFGSLineSearch: 6 00:09:54 -71.254919 0.002687 LBFGSLineSearch: 7 00:09:55 -71.254920 0.003450 LBFGSLineSearch: 8 00:09:56 -71.254920 0.001638 LBFGSLineSearch: 9 00:09:57 -71.254921 0.001124 LBFGSLineSearch: 10 00:09:58 -71.254921 0.001833 LBFGSLineSearch: 11 00:09:59 -71.254921 0.001020 LBFGSLineSearch: 12 00:09:59 -71.254922 0.000959 LBFGSLineSearch: 13 00:10:00 -71.254922 0.000657 LBFGSLineSearch: 14 00:10:00 -71.254922 0.000906 LBFGSLineSearch: 15 00:10:01 -71.254922 0.000142 LBFGSLineSearch: 16 00:10:03 -71.254922 0.000178 LBFGSLineSearch: 17 00:10:04 -71.254922 0.000064 LBFGSLineSearch: 18 00:10:05 -71.254922 0.000022 LBFGSLineSearch: 19 00:10:06 -71.254922 0.000017 LBFGSLineSearch: 20 00:10:06 -71.254922 0.000002 Minimization converged after 20 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:10:13 -71.052944 0.014427 LBFGSLineSearch: 1 00:10:15 -71.052959 0.017459 LBFGSLineSearch: 2 00:10:16 -71.052976 0.020486 LBFGSLineSearch: 3 00:10:17 -71.052988 0.014105 LBFGSLineSearch: 4 00:10:18 -71.052995 0.006944 LBFGSLineSearch: 5 00:10:20 -71.053000 0.007522 LBFGSLineSearch: 6 00:10:20 -71.053008 0.003007 LBFGSLineSearch: 7 00:10:21 -71.053009 0.003994 LBFGSLineSearch: 8 00:10:21 -71.053010 0.001778 LBFGSLineSearch: 9 00:10:22 -71.053010 0.001254 LBFGSLineSearch: 10 00:10:23 -71.053011 0.002090 LBFGSLineSearch: 11 00:10:24 -71.053011 0.001120 LBFGSLineSearch: 12 00:10:24 -71.053011 0.001742 LBFGSLineSearch: 13 00:10:25 -71.053012 0.000868 LBFGSLineSearch: 14 00:10:26 -71.053012 0.000409 LBFGSLineSearch: 15 00:10:26 -71.053012 0.000162 LBFGSLineSearch: 16 00:10:27 -71.053012 0.000208 LBFGSLineSearch: 17 00:10:28 -71.053012 0.000058 LBFGSLineSearch: 18 00:10:29 -71.053012 0.000024 LBFGSLineSearch: 19 00:10:30 -71.053012 0.000004 Minimization converged after 19 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:10:37 -70.826451 0.016184 LBFGSLineSearch: 1 00:10:39 -70.826470 0.019603 LBFGSLineSearch: 2 00:10:39 -70.826491 0.023012 LBFGSLineSearch: 3 00:10:40 -70.826506 0.015176 LBFGSLineSearch: 4 00:10:40 -70.826515 0.007804 LBFGSLineSearch: 5 00:10:41 -70.826521 0.008347 LBFGSLineSearch: 6 00:10:42 -70.826531 0.003367 LBFGSLineSearch: 7 00:10:42 -70.826533 0.004568 LBFGSLineSearch: 8 00:10:43 -70.826534 0.001931 LBFGSLineSearch: 9 00:10:43 -70.826534 0.001406 LBFGSLineSearch: 10 00:10:44 -70.826534 0.002439 LBFGSLineSearch: 11 00:10:45 -70.826535 0.001237 LBFGSLineSearch: 12 00:10:46 -70.826535 0.002047 LBFGSLineSearch: 13 00:10:47 -70.826536 0.000945 LBFGSLineSearch: 14 00:10:47 -70.826536 0.000326 LBFGSLineSearch: 15 00:10:48 -70.826536 0.000178 LBFGSLineSearch: 16 00:10:49 -70.826536 0.000153 LBFGSLineSearch: 17 00:10:49 -70.826536 0.000044 LBFGSLineSearch: 18 00:10:50 -70.826536 0.000024 LBFGSLineSearch: 19 00:10:50 -70.826536 0.000010 Minimization converged after 19 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:10:58 -70.572420 0.018154 LBFGSLineSearch: 1 00:11:00 -70.572444 0.022014 LBFGSLineSearch: 2 00:11:01 -70.572470 0.025853 LBFGSLineSearch: 3 00:11:02 -70.572489 0.016219 LBFGSLineSearch: 4 00:11:03 -70.572500 0.008772 LBFGSLineSearch: 5 00:11:04 -70.572507 0.009249 LBFGSLineSearch: 6 00:11:05 -70.572520 0.003770 LBFGSLineSearch: 7 00:11:06 -70.572522 0.005148 LBFGSLineSearch: 8 00:11:07 -70.572523 0.002099 LBFGSLineSearch: 9 00:11:08 -70.572524 0.001581 LBFGSLineSearch: 10 00:11:09 -70.572524 0.002849 LBFGSLineSearch: 11 00:11:10 -70.572525 0.001401 LBFGSLineSearch: 12 00:11:12 -70.572525 0.001806 LBFGSLineSearch: 13 00:11:13 -70.572526 0.000907 LBFGSLineSearch: 14 00:11:14 -70.572526 0.001149 LBFGSLineSearch: 15 00:11:15 -70.572526 0.000192 LBFGSLineSearch: 16 00:11:17 -70.572526 0.000135 LBFGSLineSearch: 17 00:11:17 -70.572526 0.000036 LBFGSLineSearch: 18 00:11:18 -70.572526 0.000017 LBFGSLineSearch: 19 00:11:19 -70.572526 0.000039 LBFGSLineSearch: 20 00:11:21 -70.572526 0.000019 LBFGSLineSearch: 21 00:11:23 -70.572526 0.000007 Minimization converged after 21 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:11:32 -70.287529 0.020363 LBFGSLineSearch: 1 00:11:32 -70.287559 0.024712 LBFGSLineSearch: 2 00:11:33 -70.287592 0.029032 LBFGSLineSearch: 3 00:11:33 -70.287616 0.017183 LBFGSLineSearch: 4 00:11:34 -70.287629 0.009864 LBFGSLineSearch: 5 00:11:36 -70.287638 0.010227 LBFGSLineSearch: 6 00:11:37 -70.287654 0.004221 LBFGSLineSearch: 7 00:11:38 -70.287657 0.005711 LBFGSLineSearch: 8 00:11:39 -70.287658 0.002281 LBFGSLineSearch: 9 00:11:40 -70.287659 0.001776 LBFGSLineSearch: 10 00:11:41 -70.287659 0.003216 LBFGSLineSearch: 11 00:11:42 -70.287660 0.001614 LBFGSLineSearch: 12 00:11:43 -70.287661 0.001325 LBFGSLineSearch: 13 00:11:45 -70.287661 0.000972 LBFGSLineSearch: 14 00:11:45 -70.287662 0.001057 LBFGSLineSearch: 15 00:11:47 -70.287662 0.000221 LBFGSLineSearch: 16 00:11:48 -70.287662 0.000308 LBFGSLineSearch: 17 00:11:48 -70.287662 0.000189 LBFGSLineSearch: 18 00:11:49 -70.287662 0.000038 LBFGSLineSearch: 19 00:11:50 -70.287662 0.000041 LBFGSLineSearch: 20 00:11:53 -70.287662 0.000024 LBFGSLineSearch: 21 00:11:54 -70.287662 0.000031 LBFGSLineSearch: 22 00:11:55 -70.287662 0.000017 LBFGSLineSearch: 23 00:11:56 -70.287662 0.000000 Minimization converged after 23 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:12:05 -69.968061 0.022829 LBFGSLineSearch: 1 00:12:05 -69.968100 0.027777 LBFGSLineSearch: 2 00:12:06 -69.968140 0.032637 LBFGSLineSearch: 3 00:12:07 -69.968172 0.018092 LBFGSLineSearch: 4 00:12:07 -69.968187 0.011086 LBFGSLineSearch: 5 00:12:09 -69.968198 0.011290 LBFGSLineSearch: 6 00:12:10 -69.968218 0.004718 LBFGSLineSearch: 7 00:12:11 -69.968222 0.006203 LBFGSLineSearch: 8 00:12:11 -69.968223 0.002445 LBFGSLineSearch: 9 00:12:12 -69.968224 0.001987 LBFGSLineSearch: 10 00:12:12 -69.968224 0.003531 LBFGSLineSearch: 11 00:12:14 -69.968225 0.001811 LBFGSLineSearch: 12 00:12:16 -69.968226 0.001778 LBFGSLineSearch: 13 00:12:18 -69.968227 0.001234 LBFGSLineSearch: 14 00:12:19 -69.968227 0.001397 LBFGSLineSearch: 15 00:12:20 -69.968227 0.000238 LBFGSLineSearch: 16 00:12:22 -69.968228 0.000220 LBFGSLineSearch: 17 00:12:24 -69.968228 0.000118 LBFGSLineSearch: 18 00:12:26 -69.968228 0.000050 LBFGSLineSearch: 19 00:12:26 -69.968228 0.000038 LBFGSLineSearch: 20 00:12:27 -69.968228 0.000023 LBFGSLineSearch: 21 00:12:28 -69.968228 0.000026 LBFGSLineSearch: 22 00:12:29 -69.968228 0.000000 Minimization converged after 22 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:12:39 -69.609861 0.025598 LBFGSLineSearch: 1 00:12:39 -69.609910 0.031213 LBFGSLineSearch: 2 00:12:40 -69.609960 0.036672 LBFGSLineSearch: 3 00:12:40 -69.610001 0.018832 LBFGSLineSearch: 4 00:12:41 -69.610019 0.012463 LBFGSLineSearch: 5 00:12:42 -69.610033 0.012429 LBFGSLineSearch: 6 00:12:42 -69.610057 0.005269 LBFGSLineSearch: 7 00:12:43 -69.610062 0.006574 LBFGSLineSearch: 8 00:12:44 -69.610064 0.002553 LBFGSLineSearch: 9 00:12:44 -69.610065 0.002214 LBFGSLineSearch: 10 00:12:46 -69.610065 0.003867 LBFGSLineSearch: 11 00:12:48 -69.610067 0.001992 LBFGSLineSearch: 12 00:12:49 -69.610068 0.001575 LBFGSLineSearch: 13 00:12:49 -69.610069 0.001286 LBFGSLineSearch: 14 00:12:50 -69.610069 0.001496 LBFGSLineSearch: 15 00:12:50 -69.610069 0.000263 LBFGSLineSearch: 16 00:12:51 -69.610069 0.000119 LBFGSLineSearch: 17 00:12:51 -69.610069 0.000102 LBFGSLineSearch: 18 00:12:51 -69.610069 0.000052 LBFGSLineSearch: 19 00:12:51 -69.610069 0.000082 LBFGSLineSearch: 20 00:12:52 -69.610069 0.000036 LBFGSLineSearch: 21 00:12:52 -69.610069 0.000022 LBFGSLineSearch: 22 00:12:53 -69.610069 0.000001 Minimization converged after 22 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:13:02 -69.208284 0.028699 LBFGSLineSearch: 1 00:13:03 -69.208347 0.035088 LBFGSLineSearch: 2 00:13:04 -69.208409 0.041206 LBFGSLineSearch: 3 00:13:05 -69.208460 0.020522 LBFGSLineSearch: 4 00:13:06 -69.208481 0.014010 LBFGSLineSearch: 5 00:13:07 -69.208499 0.013627 LBFGSLineSearch: 6 00:13:09 -69.208530 0.005875 LBFGSLineSearch: 7 00:13:11 -69.208536 0.006704 LBFGSLineSearch: 8 00:13:12 -69.208538 0.002860 LBFGSLineSearch: 9 00:13:13 -69.208539 0.002469 LBFGSLineSearch: 10 00:13:14 -69.208540 0.004175 LBFGSLineSearch: 11 00:13:16 -69.208541 0.002190 LBFGSLineSearch: 12 00:13:17 -69.208543 0.001608 LBFGSLineSearch: 13 00:13:18 -69.208544 0.001371 LBFGSLineSearch: 14 00:13:19 -69.208544 0.001546 LBFGSLineSearch: 15 00:13:20 -69.208544 0.000295 LBFGSLineSearch: 16 00:13:21 -69.208544 0.000175 LBFGSLineSearch: 17 00:13:23 -69.208544 0.000114 LBFGSLineSearch: 18 00:13:24 -69.208544 0.000082 LBFGSLineSearch: 19 00:13:25 -69.208544 0.000072 LBFGSLineSearch: 20 00:13:27 -69.208544 0.000033 LBFGSLineSearch: 21 00:13:29 -69.208544 0.000014 LBFGSLineSearch: 22 00:13:30 -69.208544 0.000000 Minimization converged after 22 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:13:38 -68.758140 0.032172 LBFGSLineSearch: 1 00:13:40 -68.758220 0.039456 LBFGSLineSearch: 2 00:13:40 -68.758296 0.046288 LBFGSLineSearch: 3 00:13:42 -68.758363 0.022685 LBFGSLineSearch: 4 00:13:44 -68.758387 0.015744 LBFGSLineSearch: 5 00:13:46 -68.758406 0.009669 LBFGSLineSearch: 6 00:13:49 -68.758430 0.013513 LBFGSLineSearch: 7 00:13:52 -68.758451 0.004807 LBFGSLineSearch: 8 00:13:54 -68.758458 0.003237 LBFGSLineSearch: 9 00:13:56 -68.758459 0.003537 LBFGSLineSearch: 10 00:13:56 -68.758461 0.002580 LBFGSLineSearch: 11 00:13:57 -68.758462 0.002248 LBFGSLineSearch: 12 00:13:58 -68.758464 0.001659 LBFGSLineSearch: 13 00:14:00 -68.758465 0.002124 LBFGSLineSearch: 14 00:14:01 -68.758465 0.000359 LBFGSLineSearch: 15 00:14:03 -68.758465 0.000333 LBFGSLineSearch: 16 00:14:06 -68.758465 0.000128 LBFGSLineSearch: 17 00:14:07 -68.758465 0.000141 LBFGSLineSearch: 18 00:14:08 -68.758466 0.000085 LBFGSLineSearch: 19 00:14:09 -68.758466 0.000086 LBFGSLineSearch: 20 00:14:10 -68.758466 0.000043 LBFGSLineSearch: 21 00:14:11 -68.758466 0.000025 LBFGSLineSearch: 22 00:14:11 -68.758466 0.000001 Minimization converged after 22 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:14:19 -68.253634 0.036060 LBFGSLineSearch: 1 00:14:20 -68.253736 0.044394 LBFGSLineSearch: 2 00:14:21 -68.253830 0.051984 LBFGSLineSearch: 3 00:14:23 -68.253915 0.025046 LBFGSLineSearch: 4 00:14:24 -68.253953 0.013273 LBFGSLineSearch: 5 00:14:25 -68.254000 0.015037 LBFGSLineSearch: 6 00:14:26 -68.254016 0.006832 LBFGSLineSearch: 7 00:14:26 -68.254023 0.005147 LBFGSLineSearch: 8 00:14:28 -68.254029 0.005920 LBFGSLineSearch: 9 00:14:30 -68.254032 0.003213 LBFGSLineSearch: 10 00:14:34 -68.254035 0.002639 LBFGSLineSearch: 11 00:14:37 -68.254037 0.003936 LBFGSLineSearch: 12 00:14:38 -68.254039 0.002127 LBFGSLineSearch: 13 00:14:40 -68.254040 0.002486 LBFGSLineSearch: 14 00:14:41 -68.254041 0.000649 LBFGSLineSearch: 15 00:14:41 -68.254041 0.000589 LBFGSLineSearch: 16 00:14:41 -68.254041 0.000173 LBFGSLineSearch: 17 00:14:42 -68.254041 0.000147 LBFGSLineSearch: 18 00:14:42 -68.254041 0.000108 LBFGSLineSearch: 19 00:14:44 -68.254041 0.000157 LBFGSLineSearch: 20 00:14:45 -68.254041 0.000035 LBFGSLineSearch: 21 00:14:46 -68.254041 0.000011 LBFGSLineSearch: 22 00:14:47 -68.254041 0.000000 Minimization converged after 22 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:14:55 -67.688298 0.040410 LBFGSLineSearch: 1 00:14:56 -67.688429 0.049967 LBFGSLineSearch: 2 00:14:57 -67.688546 0.058328 LBFGSLineSearch: 3 00:14:58 -67.688653 0.027628 LBFGSLineSearch: 4 00:14:59 -67.688700 0.015009 LBFGSLineSearch: 5 00:14:59 -67.688762 0.012767 LBFGSLineSearch: 6 00:15:00 -67.688778 0.007136 LBFGSLineSearch: 7 00:15:00 -67.688787 0.006470 LBFGSLineSearch: 8 00:15:01 -67.688795 0.003602 LBFGSLineSearch: 9 00:15:02 -67.688799 0.003598 LBFGSLineSearch: 10 00:15:04 -67.688801 0.003159 LBFGSLineSearch: 11 00:15:05 -67.688804 0.002331 LBFGSLineSearch: 12 00:15:06 -67.688805 0.002307 LBFGSLineSearch: 13 00:15:06 -67.688806 0.000487 LBFGSLineSearch: 14 00:15:07 -67.688806 0.000592 LBFGSLineSearch: 15 00:15:07 -67.688807 0.000228 LBFGSLineSearch: 16 00:15:08 -67.688807 0.000212 LBFGSLineSearch: 17 00:15:09 -67.688807 0.000148 LBFGSLineSearch: 18 00:15:10 -67.688807 0.000175 LBFGSLineSearch: 19 00:15:12 -67.688807 0.000371 LBFGSLineSearch: 20 00:15:12 -67.688807 0.000073 LBFGSLineSearch: 21 00:15:13 -67.688807 0.000029 LBFGSLineSearch: 22 00:15:14 -67.688807 0.000002 Minimization converged after 22 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:15:23 -67.054921 0.045280 LBFGSLineSearch: 1 00:15:24 -67.055089 0.056284 LBFGSLineSearch: 2 00:15:26 -67.055232 0.065378 LBFGSLineSearch: 3 00:15:26 -67.055367 0.030449 LBFGSLineSearch: 4 00:15:27 -67.055427 0.016132 LBFGSLineSearch: 5 00:15:28 -67.055506 0.009028 LBFGSLineSearch: 6 00:15:29 -67.055521 0.007633 LBFGSLineSearch: 7 00:15:30 -67.055533 0.006485 LBFGSLineSearch: 8 00:15:31 -67.055541 0.004073 LBFGSLineSearch: 9 00:15:32 -67.055547 0.003531 LBFGSLineSearch: 10 00:15:33 -67.055550 0.004027 LBFGSLineSearch: 11 00:15:34 -67.055552 0.002380 LBFGSLineSearch: 12 00:15:35 -67.055555 0.001733 LBFGSLineSearch: 13 00:15:35 -67.055555 0.000518 LBFGSLineSearch: 14 00:15:36 -67.055555 0.000663 LBFGSLineSearch: 15 00:15:38 -67.055555 0.000282 LBFGSLineSearch: 16 00:15:40 -67.055555 0.000228 LBFGSLineSearch: 17 00:15:41 -67.055555 0.000178 LBFGSLineSearch: 18 00:15:42 -67.055555 0.000224 LBFGSLineSearch: 19 00:15:43 -67.055555 0.000037 LBFGSLineSearch: 20 00:15:45 -67.055555 0.000003 Minimization converged after 20 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:15:53 -66.345464 0.050722 LBFGSLineSearch: 1 00:15:54 -66.345679 0.063468 LBFGSLineSearch: 2 00:15:55 -66.345854 0.073161 LBFGSLineSearch: 3 00:15:56 -66.346024 0.033533 LBFGSLineSearch: 4 00:15:57 -66.346098 0.015552 LBFGSLineSearch: 5 00:15:57 -66.346189 0.020870 LBFGSLineSearch: 6 00:15:58 -66.346212 0.008454 LBFGSLineSearch: 7 00:15:59 -66.346224 0.007162 LBFGSLineSearch: 8 00:16:00 -66.346233 0.006338 LBFGSLineSearch: 9 00:16:00 -66.346238 0.004338 LBFGSLineSearch: 10 00:16:01 -66.346240 0.004427 LBFGSLineSearch: 11 00:16:01 -66.346242 0.005192 LBFGSLineSearch: 12 00:16:02 -66.346248 0.003021 LBFGSLineSearch: 13 00:16:02 -66.346250 0.003982 LBFGSLineSearch: 14 00:16:03 -66.346253 0.002246 LBFGSLineSearch: 15 00:16:04 -66.346254 0.001136 LBFGSLineSearch: 16 00:16:05 -66.346254 0.000417 LBFGSLineSearch: 17 00:16:06 -66.346255 0.000369 LBFGSLineSearch: 18 00:16:07 -66.346255 0.000403 LBFGSLineSearch: 19 00:16:07 -66.346255 0.000175 LBFGSLineSearch: 20 00:16:08 -66.346255 0.000326 LBFGSLineSearch: 21 00:16:09 -66.346255 0.000075 LBFGSLineSearch: 22 00:16:10 -66.346255 0.000022 LBFGSLineSearch: 23 00:16:10 -66.346255 0.000001 Minimization converged after 23 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:16:18 -65.550976 0.056806 LBFGSLineSearch: 1 00:16:19 -65.551253 0.071625 LBFGSLineSearch: 2 00:16:20 -65.551467 0.081610 LBFGSLineSearch: 3 00:16:20 -65.551677 0.036915 LBFGSLineSearch: 4 00:16:21 -65.551767 0.019730 LBFGSLineSearch: 5 00:16:21 -65.551859 0.028768 LBFGSLineSearch: 6 00:16:23 -65.551914 0.009198 LBFGSLineSearch: 7 00:16:24 -65.551939 0.004504 LBFGSLineSearch: 8 00:16:25 -65.551941 0.004934 LBFGSLineSearch: 9 00:16:26 -65.551945 0.006562 LBFGSLineSearch: 10 00:16:26 -65.551951 0.003968 LBFGSLineSearch: 11 00:16:27 -65.551955 0.003231 LBFGSLineSearch: 12 00:16:28 -65.551958 0.002742 LBFGSLineSearch: 13 00:16:28 -65.551960 0.002747 LBFGSLineSearch: 14 00:16:29 -65.551961 0.000535 LBFGSLineSearch: 15 00:16:29 -65.551961 0.000413 LBFGSLineSearch: 16 00:16:30 -65.551961 0.000403 LBFGSLineSearch: 17 00:16:30 -65.551961 0.000395 LBFGSLineSearch: 18 00:16:32 -65.551961 0.000242 LBFGSLineSearch: 19 00:16:34 -65.551961 0.000076 LBFGSLineSearch: 20 00:16:36 -65.551961 0.000029 LBFGSLineSearch: 21 00:16:37 -65.551961 0.000003 Minimization converged after 21 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:16:44 -64.661498 0.063606 LBFGSLineSearch: 1 00:16:45 -64.661858 0.080966 LBFGSLineSearch: 2 00:16:46 -64.662118 0.090619 LBFGSLineSearch: 3 00:16:46 -64.662375 0.040625 LBFGSLineSearch: 4 00:16:46 -64.662480 0.027530 LBFGSLineSearch: 5 00:16:47 -64.662588 0.025961 LBFGSLineSearch: 6 00:16:47 -64.662670 0.009519 LBFGSLineSearch: 7 00:16:47 -64.662696 0.007589 LBFGSLineSearch: 8 00:16:48 -64.662703 0.004920 LBFGSLineSearch: 9 00:16:50 -64.662706 0.006711 LBFGSLineSearch: 10 00:16:51 -64.662714 0.004471 LBFGSLineSearch: 11 00:16:53 -64.662716 0.004091 LBFGSLineSearch: 12 00:16:55 -64.662719 0.003573 LBFGSLineSearch: 13 00:16:56 -64.662724 0.002896 LBFGSLineSearch: 14 00:16:57 -64.662726 0.000654 LBFGSLineSearch: 15 00:16:58 -64.662726 0.000743 LBFGSLineSearch: 16 00:16:58 -64.662726 0.000534 LBFGSLineSearch: 17 00:16:59 -64.662726 0.000463 LBFGSLineSearch: 18 00:16:59 -64.662726 0.000531 LBFGSLineSearch: 19 00:17:00 -64.662726 0.000258 LBFGSLineSearch: 20 00:17:00 -64.662726 0.000258 LBFGSLineSearch: 21 00:17:01 -64.662726 0.000022 LBFGSLineSearch: 22 00:17:02 -64.662726 0.000009 Minimization converged after 22 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:17:10 -63.665967 0.071201 LBFGSLineSearch: 1 00:17:11 -63.666435 0.091699 LBFGSLineSearch: 2 00:17:11 -63.666752 0.099833 LBFGSLineSearch: 3 00:17:12 -63.667060 0.044684 LBFGSLineSearch: 4 00:17:12 -63.667184 0.032280 LBFGSLineSearch: 5 00:17:13 -63.667325 0.023622 LBFGSLineSearch: 6 00:17:14 -63.667430 0.009576 LBFGSLineSearch: 7 00:17:14 -63.667455 0.010018 LBFGSLineSearch: 8 00:17:15 -63.667471 0.006298 LBFGSLineSearch: 9 00:17:15 -63.667477 0.005747 LBFGSLineSearch: 10 00:17:16 -63.667482 0.004663 LBFGSLineSearch: 11 00:17:16 -63.667485 0.004216 LBFGSLineSearch: 12 00:17:17 -63.667489 0.004590 LBFGSLineSearch: 13 00:17:17 -63.667495 0.002896 LBFGSLineSearch: 14 00:17:18 -63.667496 0.001762 LBFGSLineSearch: 15 00:17:18 -63.667497 0.000845 LBFGSLineSearch: 16 00:17:19 -63.667497 0.000586 LBFGSLineSearch: 17 00:17:20 -63.667497 0.000722 LBFGSLineSearch: 18 00:17:20 -63.667497 0.000551 LBFGSLineSearch: 19 00:17:21 -63.667497 0.000297 LBFGSLineSearch: 20 00:17:22 -63.667497 0.000164 LBFGSLineSearch: 21 00:17:23 -63.667497 0.000019 LBFGSLineSearch: 22 00:17:25 -63.667497 0.000016 LBFGSLineSearch: 23 00:17:28 -63.667497 0.000000 Minimization converged after 23 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:17:36 -62.552102 0.079671 LBFGSLineSearch: 1 00:17:37 -62.552716 0.104134 LBFGSLineSearch: 2 00:17:37 -62.553104 0.108523 LBFGSLineSearch: 3 00:17:38 -62.553464 0.049064 LBFGSLineSearch: 4 00:17:38 -62.553596 0.038886 LBFGSLineSearch: 5 00:17:39 -62.553730 0.035679 LBFGSLineSearch: 6 00:17:39 -62.553892 0.024985 LBFGSLineSearch: 7 00:17:40 -62.553953 0.011002 LBFGSLineSearch: 8 00:17:40 -62.553976 0.006174 LBFGSLineSearch: 9 00:17:41 -62.553983 0.005571 LBFGSLineSearch: 10 00:17:42 -62.553987 0.006689 LBFGSLineSearch: 11 00:17:43 -62.553992 0.007432 LBFGSLineSearch: 12 00:17:43 -62.554001 0.004376 LBFGSLineSearch: 13 00:17:44 -62.554010 0.004762 LBFGSLineSearch: 14 00:17:45 -62.554011 0.001986 LBFGSLineSearch: 15 00:17:45 -62.554012 0.001162 LBFGSLineSearch: 16 00:17:47 -62.554012 0.000908 LBFGSLineSearch: 17 00:17:47 -62.554012 0.000746 LBFGSLineSearch: 18 00:17:48 -62.554012 0.000629 LBFGSLineSearch: 19 00:17:49 -62.554012 0.000539 LBFGSLineSearch: 20 00:17:49 -62.554012 0.000864 LBFGSLineSearch: 21 00:17:51 -62.554013 0.000428 LBFGSLineSearch: 22 00:17:52 -62.554013 0.000193 LBFGSLineSearch: 23 00:17:53 -62.554013 0.000101 LBFGSLineSearch: 24 00:17:54 -62.554013 0.000016 LBFGSLineSearch: 25 00:17:55 -62.554013 0.000011 LBFGSLineSearch: 26 00:17:56 -62.554013 0.000001 Minimization converged after 26 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:18:05 -61.306307 0.089122 LBFGSLineSearch: 1 00:18:07 -61.307119 0.118708 LBFGSLineSearch: 2 00:18:09 -61.307604 0.115091 LBFGSLineSearch: 3 00:18:11 -61.308008 0.053540 LBFGSLineSearch: 4 00:18:13 -61.308187 0.044153 LBFGSLineSearch: 5 00:18:14 -61.308352 0.040858 LBFGSLineSearch: 6 00:18:15 -61.308549 0.025482 LBFGSLineSearch: 7 00:18:16 -61.308630 0.012091 LBFGSLineSearch: 8 00:18:17 -61.308654 0.008061 LBFGSLineSearch: 9 00:18:17 -61.308669 0.007384 LBFGSLineSearch: 10 00:18:18 -61.308676 0.005595 LBFGSLineSearch: 11 00:18:18 -61.308685 0.006393 LBFGSLineSearch: 12 00:18:19 -61.308689 0.004950 LBFGSLineSearch: 13 00:18:20 -61.308698 0.002741 LBFGSLineSearch: 14 00:18:20 -61.308699 0.001297 LBFGSLineSearch: 15 00:18:21 -61.308700 0.001356 LBFGSLineSearch: 16 00:18:22 -61.308700 0.000775 LBFGSLineSearch: 17 00:18:22 -61.308700 0.000746 LBFGSLineSearch: 18 00:18:23 -61.308700 0.000817 LBFGSLineSearch: 19 00:18:24 -61.308700 0.000358 LBFGSLineSearch: 20 00:18:25 -61.308700 0.000415 LBFGSLineSearch: 21 00:18:26 -61.308700 0.000025 LBFGSLineSearch: 22 00:18:28 -61.308700 0.000018 LBFGSLineSearch: 23 00:18:29 -61.308700 0.000000 Minimization converged after 23 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:18:37 -59.913570 0.099652 LBFGSLineSearch: 1 00:18:38 -59.914654 0.130154 LBFGSLineSearch: 2 00:18:39 -59.915294 0.116331 LBFGSLineSearch: 3 00:18:39 -59.915720 0.059346 LBFGSLineSearch: 4 00:18:40 -59.915955 0.053384 LBFGSLineSearch: 5 00:18:41 -59.916159 0.044602 LBFGSLineSearch: 6 00:18:42 -59.916408 0.025948 LBFGSLineSearch: 7 00:18:43 -59.916504 0.018197 LBFGSLineSearch: 8 00:18:44 -59.916540 0.010152 LBFGSLineSearch: 9 00:18:44 -59.916560 0.008385 LBFGSLineSearch: 10 00:18:45 -59.916566 0.007023 LBFGSLineSearch: 11 00:18:46 -59.916575 0.006704 LBFGSLineSearch: 12 00:18:47 -59.916584 0.004153 LBFGSLineSearch: 13 00:18:48 -59.916590 0.005236 LBFGSLineSearch: 14 00:18:49 -59.916596 0.001501 LBFGSLineSearch: 15 00:18:52 -59.916596 0.001265 LBFGSLineSearch: 16 00:18:53 -59.916597 0.000818 LBFGSLineSearch: 17 00:18:55 -59.916597 0.000734 LBFGSLineSearch: 18 00:18:56 -59.916597 0.000813 LBFGSLineSearch: 19 00:18:57 -59.916597 0.000421 LBFGSLineSearch: 20 00:18:58 -59.916597 0.000469 LBFGSLineSearch: 21 00:18:59 -59.916597 0.000256 LBFGSLineSearch: 22 00:18:59 -59.916597 0.000022 LBFGSLineSearch: 23 00:19:00 -59.916597 0.000015 LBFGSLineSearch: 24 00:19:00 -59.916597 0.000001 Minimization converged after 24 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:19:09 -58.357432 0.111369 LBFGSLineSearch: 1 00:19:09 -58.358890 0.138596 LBFGSLineSearch: 2 00:19:10 -58.359862 0.103954 LBFGSLineSearch: 3 00:19:10 -58.360258 0.060119 LBFGSLineSearch: 4 00:19:11 -58.360543 0.065211 LBFGSLineSearch: 5 00:19:11 -58.360807 0.053251 LBFGSLineSearch: 6 00:19:11 -58.361147 0.039173 LBFGSLineSearch: 7 00:19:12 -58.361261 0.024163 LBFGSLineSearch: 8 00:19:13 -58.361327 0.012747 LBFGSLineSearch: 9 00:19:14 -58.361355 0.011106 LBFGSLineSearch: 10 00:19:15 -58.361365 0.007859 LBFGSLineSearch: 11 00:19:16 -58.361376 0.006987 LBFGSLineSearch: 12 00:19:16 -58.361386 0.005635 LBFGSLineSearch: 13 00:19:17 -58.361393 0.004781 LBFGSLineSearch: 14 00:19:17 -58.361399 0.004347 LBFGSLineSearch: 15 00:19:18 -58.361406 0.004363 LBFGSLineSearch: 16 00:19:19 -58.361409 0.002648 LBFGSLineSearch: 17 00:19:19 -58.361410 0.002030 LBFGSLineSearch: 18 00:19:20 -58.361411 0.000623 LBFGSLineSearch: 19 00:19:20 -58.361411 0.000501 LBFGSLineSearch: 20 00:19:21 -58.361411 0.000531 LBFGSLineSearch: 21 00:19:22 -58.361411 0.000413 LBFGSLineSearch: 22 00:19:23 -58.361411 0.000169 LBFGSLineSearch: 23 00:19:24 -58.361411 0.000107 LBFGSLineSearch: 24 00:19:25 -58.361411 0.000066 LBFGSLineSearch: 25 00:19:26 -58.361411 0.000014 LBFGSLineSearch: 26 00:19:27 -58.361411 0.000010 LBFGSLineSearch: 27 00:19:29 -58.361411 0.000000 Minimization converged after 27 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:19:37 -56.620478 0.124352 LBFGSLineSearch: 1 00:19:38 -56.622473 0.145573 LBFGSLineSearch: 2 00:19:38 -56.624541 0.068705 LBFGSLineSearch: 3 00:19:39 -56.625690 0.168099 LBFGSLineSearch: 4 00:19:40 -56.674636 0.640821 LBFGSLineSearch: 5 00:19:41 -56.678571 0.727880 LBFGSLineSearch: 6 00:19:42 -56.747336 0.594411 LBFGSLineSearch: 7 00:19:42 -56.792530 0.344440 LBFGSLineSearch: 8 00:19:43 -56.811961 0.438775 LBFGSLineSearch: 9 00:19:44 -56.829480 0.231609 LBFGSLineSearch: 10 00:19:44 -56.836137 0.163871 LBFGSLineSearch: 11 00:19:45 -56.840021 0.191356 LBFGSLineSearch: 12 00:19:45 -56.844662 0.239191 LBFGSLineSearch: 13 00:19:46 -56.851799 0.244369 LBFGSLineSearch: 14 00:19:46 -56.864110 0.218622 LBFGSLineSearch: 15 00:19:47 -56.865444 0.171741 LBFGSLineSearch: 16 00:19:48 -56.871640 0.112047 LBFGSLineSearch: 17 00:19:49 -56.873335 0.087181 LBFGSLineSearch: 18 00:19:50 -56.875348 0.052320 LBFGSLineSearch: 19 00:19:50 -56.875879 0.052401 LBFGSLineSearch: 20 00:19:51 -56.876496 0.054229 LBFGSLineSearch: 21 00:19:51 -56.877587 0.075470 LBFGSLineSearch: 22 00:19:52 -56.878455 0.027566 LBFGSLineSearch: 23 00:19:53 -56.878557 0.021775 LBFGSLineSearch: 24 00:19:53 -56.878634 0.025214 LBFGSLineSearch: 25 00:19:53 -56.878829 0.017759 LBFGSLineSearch: 26 00:19:54 -56.879038 0.037789 LBFGSLineSearch: 27 00:19:54 -56.879378 0.024197 LBFGSLineSearch: 28 00:19:56 -56.886665 0.071854 LBFGSLineSearch: 29 00:19:57 -56.886672 0.070616 LBFGSLineSearch: 30 00:19:59 -56.887712 0.099445 LBFGSLineSearch: 31 00:20:01 -56.895939 0.278853 LBFGSLineSearch: 32 00:20:01 -56.897867 0.310039 LBFGSLineSearch: 33 00:20:03 -56.916691 0.106625 LBFGSLineSearch: 34 00:20:04 -56.919879 0.185406 LBFGSLineSearch: 35 00:20:05 -56.925412 0.175825 LBFGSLineSearch: 36 00:20:06 -56.928274 0.118644 LBFGSLineSearch: 37 00:20:07 -56.929851 0.068101 LBFGSLineSearch: 38 00:20:08 -56.930114 0.056219 LBFGSLineSearch: 39 00:20:08 -56.930333 0.037434 LBFGSLineSearch: 40 00:20:10 -56.930494 0.023580 LBFGSLineSearch: 41 00:20:12 -56.930608 0.041439 LBFGSLineSearch: 42 00:20:13 -56.930888 0.021217 LBFGSLineSearch: 43 00:20:13 -56.931027 0.013691 LBFGSLineSearch: 44 00:20:15 -56.931056 0.010648 LBFGSLineSearch: 45 00:20:15 -56.931068 0.005264 LBFGSLineSearch: 46 00:20:16 -56.931073 0.000952 LBFGSLineSearch: 47 00:20:17 -56.931073 0.000159 LBFGSLineSearch: 48 00:20:18 -56.931073 0.000015 LBFGSLineSearch: 49 00:20:19 -56.931073 0.000001 Minimization converged after 49 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:20:26 -55.041785 0.134950 LBFGSLineSearch: 1 00:20:27 -55.044107 0.134648 LBFGSLineSearch: 2 00:20:28 -55.046057 0.068104 LBFGSLineSearch: 3 00:20:29 -55.046670 0.033279 LBFGSLineSearch: 4 00:20:29 -55.046977 0.041721 LBFGSLineSearch: 5 00:20:30 -55.047198 0.018128 LBFGSLineSearch: 6 00:20:31 -55.047244 0.009646 LBFGSLineSearch: 7 00:20:32 -55.047253 0.008691 LBFGSLineSearch: 8 00:20:33 -55.047259 0.006960 LBFGSLineSearch: 9 00:20:34 -55.047272 0.004574 LBFGSLineSearch: 10 00:20:34 -55.047282 0.003562 LBFGSLineSearch: 11 00:20:35 -55.047285 0.003517 LBFGSLineSearch: 12 00:20:39 -55.047287 0.002389 LBFGSLineSearch: 13 00:20:40 -55.047289 0.002204 LBFGSLineSearch: 14 00:20:40 -55.047289 0.001740 LBFGSLineSearch: 15 00:20:41 -55.047291 0.001342 LBFGSLineSearch: 16 00:20:42 -55.047291 0.000663 LBFGSLineSearch: 17 00:20:43 -55.047291 0.000309 LBFGSLineSearch: 18 00:20:43 -55.047291 0.000295 LBFGSLineSearch: 19 00:20:44 -55.047291 0.000265 LBFGSLineSearch: 20 00:20:44 -55.047291 0.000230 LBFGSLineSearch: 21 00:20:45 -55.047291 0.000251 LBFGSLineSearch: 22 00:20:46 -55.047291 0.000075 LBFGSLineSearch: 23 00:20:48 -55.047291 0.000043 LBFGSLineSearch: 24 00:20:50 -55.047291 0.000000 Minimization converged after 24 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:20:59 -52.938915 0.150598 LBFGSLineSearch: 1 00:21:01 -52.941911 0.136509 LBFGSLineSearch: 2 00:21:02 -52.944171 0.070289 LBFGSLineSearch: 3 00:21:03 -52.944835 0.047939 LBFGSLineSearch: 4 00:21:04 -52.945207 0.051568 LBFGSLineSearch: 5 00:21:05 -52.945474 0.016574 LBFGSLineSearch: 6 00:21:05 -52.945512 0.008587 LBFGSLineSearch: 7 00:21:06 -52.945521 0.007570 LBFGSLineSearch: 8 00:21:07 -52.945527 0.006765 LBFGSLineSearch: 9 00:21:09 -52.945534 0.005920 LBFGSLineSearch: 10 00:21:11 -52.945544 0.003868 LBFGSLineSearch: 11 00:21:11 -52.945548 0.002615 LBFGSLineSearch: 12 00:21:12 -52.945549 0.001299 LBFGSLineSearch: 13 00:21:13 -52.945549 0.000857 LBFGSLineSearch: 14 00:21:15 -52.945549 0.000970 LBFGSLineSearch: 15 00:21:15 -52.945550 0.000999 LBFGSLineSearch: 16 00:21:15 -52.945550 0.001351 LBFGSLineSearch: 17 00:21:16 -52.945550 0.000095 LBFGSLineSearch: 18 00:21:17 -52.945550 0.000094 LBFGSLineSearch: 19 00:21:18 -52.945550 0.000060 LBFGSLineSearch: 20 00:21:18 -52.945550 0.000026 LBFGSLineSearch: 21 00:21:20 -52.945550 0.000027 LBFGSLineSearch: 22 00:21:20 -52.945550 0.000002 Minimization converged after 22 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:21:29 -50.593807 0.167981 LBFGSLineSearch: 1 00:21:30 -50.597691 0.136832 LBFGSLineSearch: 2 00:21:30 -50.600535 0.072697 LBFGSLineSearch: 3 00:21:32 -50.601262 0.059663 LBFGSLineSearch: 4 00:21:33 -50.601708 0.045985 LBFGSLineSearch: 5 00:21:34 -50.602023 0.021483 LBFGSLineSearch: 6 00:21:35 -50.602064 0.009451 LBFGSLineSearch: 7 00:21:36 -50.602090 0.011592 LBFGSLineSearch: 8 00:21:37 -50.602123 0.011341 LBFGSLineSearch: 9 00:21:38 -50.602145 0.010778 LBFGSLineSearch: 10 00:21:40 -50.602167 0.005030 LBFGSLineSearch: 11 00:21:41 -50.602175 0.004578 LBFGSLineSearch: 12 00:21:41 -50.602178 0.005152 LBFGSLineSearch: 13 00:21:43 -50.602186 0.004776 LBFGSLineSearch: 14 00:21:44 -50.602192 0.004142 LBFGSLineSearch: 15 00:21:44 -50.602207 0.004352 LBFGSLineSearch: 16 00:21:46 -50.605779 0.053813 LBFGSLineSearch: 17 00:21:47 -50.605780 0.053562 LBFGSLineSearch: 18 00:21:48 -50.606446 0.020187 LBFGSLineSearch: 19 00:21:48 -50.606551 0.020629 LBFGSLineSearch: 20 00:21:50 -50.606650 0.012618 LBFGSLineSearch: 21 00:21:51 -50.606671 0.008385 LBFGSLineSearch: 22 00:21:51 -50.606685 0.006564 LBFGSLineSearch: 23 00:21:51 -50.606694 0.005915 LBFGSLineSearch: 24 00:21:51 -50.606703 0.004955 LBFGSLineSearch: 25 00:21:52 -50.606715 0.004738 LBFGSLineSearch: 26 00:21:52 -50.606728 0.003336 LBFGSLineSearch: 27 00:21:53 -50.606730 0.000478 LBFGSLineSearch: 28 00:21:53 -50.606730 0.000006 Minimization converged after 28 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:22:02 -47.994134 0.186620 LBFGSLineSearch: 1 00:22:03 -47.999252 0.123078 LBFGSLineSearch: 2 00:22:05 -48.002616 0.070344 LBFGSLineSearch: 3 00:22:05 -48.003290 0.053058 LBFGSLineSearch: 4 00:22:06 -48.003773 0.041960 LBFGSLineSearch: 5 00:22:08 -48.004047 0.018373 LBFGSLineSearch: 6 00:22:09 -48.004092 0.019249 LBFGSLineSearch: 7 00:22:10 -48.004122 0.011531 LBFGSLineSearch: 8 00:22:12 -48.004140 0.009278 LBFGSLineSearch: 9 00:22:14 -48.004158 0.005962 LBFGSLineSearch: 10 00:22:16 -48.004166 0.004325 LBFGSLineSearch: 11 00:22:18 -48.004172 0.005223 LBFGSLineSearch: 12 00:22:21 -48.004180 0.003190 LBFGSLineSearch: 13 00:22:21 -48.004182 0.002391 LBFGSLineSearch: 14 00:22:23 -48.004182 0.001868 LBFGSLineSearch: 15 00:22:24 -48.004184 0.001722 LBFGSLineSearch: 16 00:22:25 -48.004185 0.001726 LBFGSLineSearch: 17 00:22:26 -48.004186 0.000229 LBFGSLineSearch: 18 00:22:27 -48.004186 0.000121 LBFGSLineSearch: 19 00:22:28 -48.004186 0.000115 LBFGSLineSearch: 20 00:22:29 -48.004186 0.000115 LBFGSLineSearch: 21 00:22:30 -48.004186 0.000088 LBFGSLineSearch: 22 00:22:31 -48.004186 0.000086 LBFGSLineSearch: 23 00:22:32 -48.004186 0.000056 LBFGSLineSearch: 24 00:22:33 -48.004186 0.000005 Minimization converged after 24 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:22:42 -45.094020 0.207870 LBFGSLineSearch: 1 00:22:43 -45.100512 0.126677 LBFGSLineSearch: 2 00:22:44 -45.104660 0.099928 LBFGSLineSearch: 3 00:22:44 -45.110996 0.263576 LBFGSLineSearch: 4 00:22:45 -45.111827 0.236956 LBFGSLineSearch: 5 00:22:46 -45.117376 0.161283 LBFGSLineSearch: 6 00:22:47 -45.119769 0.106802 LBFGSLineSearch: 7 00:22:47 -45.120892 0.105332 LBFGSLineSearch: 8 00:22:48 -45.121854 0.089070 LBFGSLineSearch: 9 00:22:49 -45.124542 0.092108 LBFGSLineSearch: 10 00:22:50 -45.126307 0.130049 LBFGSLineSearch: 11 00:22:51 -45.127919 0.043695 LBFGSLineSearch: 12 00:22:52 -45.128097 0.022535 LBFGSLineSearch: 13 00:22:52 -45.128218 0.018331 LBFGSLineSearch: 14 00:22:52 -45.128273 0.017898 LBFGSLineSearch: 15 00:22:53 -45.128319 0.017109 LBFGSLineSearch: 16 00:22:53 -45.128351 0.015693 LBFGSLineSearch: 17 00:22:56 -45.128394 0.018699 LBFGSLineSearch: 18 00:22:57 -45.128512 0.014259 LBFGSLineSearch: 19 00:22:59 -45.128561 0.011357 LBFGSLineSearch: 20 00:23:00 -45.128586 0.010274 LBFGSLineSearch: 21 00:23:02 -45.128611 0.008512 LBFGSLineSearch: 22 00:23:02 -45.128633 0.005874 LBFGSLineSearch: 23 00:23:03 -45.128639 0.002500 LBFGSLineSearch: 24 00:23:03 -45.128640 0.002255 LBFGSLineSearch: 25 00:23:04 -45.128641 0.002032 LBFGSLineSearch: 26 00:23:05 -45.128641 0.001562 LBFGSLineSearch: 27 00:23:07 -45.128643 0.002561 LBFGSLineSearch: 28 00:23:09 -45.128644 0.000699 LBFGSLineSearch: 29 00:23:10 -45.128644 0.000274 LBFGSLineSearch: 30 00:23:12 -45.128644 0.000382 LBFGSLineSearch: 31 00:23:13 -45.128644 0.000147 LBFGSLineSearch: 32 00:23:13 -45.128644 0.000017 LBFGSLineSearch: 33 00:23:14 -45.128644 0.000000 Minimization converged after 33 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:23:23 -41.901267 0.230527 LBFGSLineSearch: 1 00:23:24 -41.909277 0.136458 LBFGSLineSearch: 2 00:23:25 -41.913357 0.064380 LBFGSLineSearch: 3 00:23:26 -41.914056 0.050509 LBFGSLineSearch: 4 00:23:26 -41.914495 0.035090 LBFGSLineSearch: 5 00:23:27 -41.914664 0.020912 LBFGSLineSearch: 6 00:23:28 -41.914754 0.018073 LBFGSLineSearch: 7 00:23:29 -41.914811 0.022432 LBFGSLineSearch: 8 00:23:31 -41.914858 0.012718 LBFGSLineSearch: 9 00:23:31 -41.914892 0.012606 LBFGSLineSearch: 10 00:23:32 -41.914941 0.010243 LBFGSLineSearch: 11 00:23:32 -41.914964 0.010639 LBFGSLineSearch: 12 00:23:32 -41.914982 0.008041 LBFGSLineSearch: 13 00:23:33 -41.914994 0.005022 LBFGSLineSearch: 14 00:23:34 -41.914998 0.003794 LBFGSLineSearch: 15 00:23:35 -41.915000 0.003716 LBFGSLineSearch: 16 00:23:36 -41.915001 0.003444 LBFGSLineSearch: 17 00:23:37 -41.915002 0.002579 LBFGSLineSearch: 18 00:23:38 -41.915005 0.001584 LBFGSLineSearch: 19 00:23:38 -41.915006 0.001183 LBFGSLineSearch: 20 00:23:39 -41.915006 0.000968 LBFGSLineSearch: 21 00:23:40 -41.915007 0.000792 LBFGSLineSearch: 22 00:23:41 -41.915007 0.000566 LBFGSLineSearch: 23 00:23:43 -41.915007 0.000426 LBFGSLineSearch: 24 00:23:44 -41.915007 0.000387 LBFGSLineSearch: 25 00:23:45 -41.915007 0.000334 LBFGSLineSearch: 26 00:23:45 -41.915007 0.000292 LBFGSLineSearch: 27 00:23:46 -41.915007 0.000259 LBFGSLineSearch: 28 00:23:46 -41.915007 0.000260 LBFGSLineSearch: 29 00:23:47 -41.915007 0.000270 LBFGSLineSearch: 30 00:23:47 -41.915007 0.000066 LBFGSLineSearch: 31 00:23:48 -41.915007 0.000010 LBFGSLineSearch: 32 00:23:48 -41.915007 0.000001 Minimization converged after 32 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:23:57 -38.323022 0.256571 LBFGSLineSearch: 1 00:24:00 -38.333036 0.149415 LBFGSLineSearch: 2 00:24:02 -38.337696 0.067711 LBFGSLineSearch: 3 00:24:03 -38.338502 0.059552 LBFGSLineSearch: 4 00:24:04 -38.338955 0.033633 LBFGSLineSearch: 5 00:24:05 -38.339059 0.017200 LBFGSLineSearch: 6 00:24:06 -38.339108 0.018350 LBFGSLineSearch: 7 00:24:07 -38.339122 0.011537 LBFGSLineSearch: 8 00:24:08 -38.339138 0.009586 LBFGSLineSearch: 9 00:24:08 -38.339155 0.007146 LBFGSLineSearch: 10 00:24:09 -38.339167 0.006462 LBFGSLineSearch: 11 00:24:12 -38.339176 0.005400 LBFGSLineSearch: 12 00:24:13 -38.339181 0.003325 LBFGSLineSearch: 13 00:24:16 -38.339183 0.001282 LBFGSLineSearch: 14 00:24:17 -38.339184 0.001138 LBFGSLineSearch: 15 00:24:17 -38.339184 0.000879 LBFGSLineSearch: 16 00:24:18 -38.339184 0.000591 LBFGSLineSearch: 17 00:24:19 -38.339184 0.000611 LBFGSLineSearch: 18 00:24:20 -38.339184 0.000385 LBFGSLineSearch: 19 00:24:21 -38.339184 0.000281 LBFGSLineSearch: 20 00:24:23 -38.339184 0.000188 LBFGSLineSearch: 21 00:24:24 -38.339184 0.000031 LBFGSLineSearch: 22 00:24:26 -38.339184 0.000025 LBFGSLineSearch: 23 00:24:27 -38.339184 0.000010 Minimization converged after 23 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:24:35 -34.342160 0.285507 LBFGSLineSearch: 1 00:24:36 -34.353525 0.185792 LBFGSLineSearch: 2 00:24:37 -34.358649 0.070913 LBFGSLineSearch: 3 00:24:37 -34.359074 0.037912 LBFGSLineSearch: 4 00:24:38 -34.359300 0.028415 LBFGSLineSearch: 5 00:24:40 -34.359435 0.022902 LBFGSLineSearch: 6 00:24:41 -34.359507 0.016230 LBFGSLineSearch: 7 00:24:41 -34.359543 0.016642 LBFGSLineSearch: 8 00:24:42 -34.359571 0.017514 LBFGSLineSearch: 9 00:24:43 -34.359625 0.014303 LBFGSLineSearch: 10 00:24:44 -34.359671 0.012171 LBFGSLineSearch: 11 00:24:45 -34.359698 0.010698 LBFGSLineSearch: 12 00:24:46 -34.359713 0.004432 LBFGSLineSearch: 13 00:24:46 -34.359719 0.004071 LBFGSLineSearch: 14 00:24:47 -34.359720 0.001870 LBFGSLineSearch: 15 00:24:47 -34.359721 0.001422 LBFGSLineSearch: 16 00:24:47 -34.359721 0.001503 LBFGSLineSearch: 17 00:24:48 -34.359722 0.001235 LBFGSLineSearch: 18 00:24:49 -34.359722 0.000804 LBFGSLineSearch: 19 00:24:51 -34.359722 0.000464 LBFGSLineSearch: 20 00:24:51 -34.359722 0.000229 LBFGSLineSearch: 21 00:24:53 -34.359722 0.000088 LBFGSLineSearch: 22 00:24:54 -34.359722 0.000053 LBFGSLineSearch: 23 00:24:55 -34.359722 0.000015 LBFGSLineSearch: 24 00:24:56 -34.359722 0.000015 LBFGSLineSearch: 25 00:24:57 -34.359722 0.000003 Minimization converged after 25 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:05 -29.912514 0.317656 LBFGSLineSearch: 1 00:25:05 -29.927343 0.163950 LBFGSLineSearch: 2 00:25:06 -29.933644 0.134850 LBFGSLineSearch: 3 00:25:06 -29.936265 0.180147 LBFGSLineSearch: 4 00:25:06 -29.942133 0.115116 LBFGSLineSearch: 5 00:25:07 -29.942889 0.103539 LBFGSLineSearch: 6 00:25:08 -29.943482 0.031235 LBFGSLineSearch: 7 00:25:08 -29.943632 0.019441 LBFGSLineSearch: 8 00:25:09 -29.943667 0.022779 LBFGSLineSearch: 9 00:25:09 -29.943705 0.023435 LBFGSLineSearch: 10 00:25:10 -29.943787 0.017501 LBFGSLineSearch: 11 00:25:10 -29.943859 0.009869 LBFGSLineSearch: 12 00:25:10 -29.943869 0.005707 LBFGSLineSearch: 13 00:25:11 -29.943875 0.005241 LBFGSLineSearch: 14 00:25:11 -29.943878 0.004962 LBFGSLineSearch: 15 00:25:11 -29.943880 0.004341 LBFGSLineSearch: 16 00:25:11 -29.943882 0.003891 LBFGSLineSearch: 17 00:25:12 -29.943885 0.002945 LBFGSLineSearch: 18 00:25:12 -29.943887 0.001326 LBFGSLineSearch: 19 00:25:13 -29.943888 0.000636 LBFGSLineSearch: 20 00:25:13 -29.943888 0.000463 LBFGSLineSearch: 21 00:25:14 -29.943888 0.000301 LBFGSLineSearch: 22 00:25:14 -29.943888 0.000231 LBFGSLineSearch: 23 00:25:17 -29.943888 0.000282 LBFGSLineSearch: 24 00:25:18 -29.943888 0.000193 LBFGSLineSearch: 25 00:25:19 -29.943888 0.000107 LBFGSLineSearch: 26 00:25:20 -29.943888 0.000004 Minimization converged after 26 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:27 -25.003061 0.352918 LBFGSLineSearch: 1 00:25:28 -25.020524 0.176358 LBFGSLineSearch: 2 00:25:29 -25.026079 0.074620 LBFGSLineSearch: 3 00:25:30 -25.027199 0.077788 LBFGSLineSearch: 4 00:25:30 -25.027749 0.043146 LBFGSLineSearch: 5 00:25:31 -25.027971 0.035647 LBFGSLineSearch: 6 00:25:31 -25.028206 0.019609 LBFGSLineSearch: 7 00:25:32 -25.028324 0.020677 LBFGSLineSearch: 8 00:25:33 -25.028394 0.011290 LBFGSLineSearch: 9 00:25:35 -25.028431 0.007672 LBFGSLineSearch: 10 00:25:35 -25.028435 0.006400 LBFGSLineSearch: 11 00:25:36 -25.028438 0.005043 LBFGSLineSearch: 12 00:25:36 -25.028441 0.004350 LBFGSLineSearch: 13 00:25:36 -25.028449 0.004039 LBFGSLineSearch: 14 00:25:37 -25.028453 0.004788 LBFGSLineSearch: 15 00:25:37 -25.028456 0.003515 LBFGSLineSearch: 16 00:25:38 -25.028457 0.001604 LBFGSLineSearch: 17 00:25:38 -25.028457 0.000443 LBFGSLineSearch: 18 00:25:39 -25.028457 0.000337 LBFGSLineSearch: 19 00:25:41 -25.028457 0.000284 LBFGSLineSearch: 20 00:25:43 -25.028457 0.000272 LBFGSLineSearch: 21 00:25:46 -25.028457 0.000244 LBFGSLineSearch: 22 00:25:46 -25.028457 0.000169 LBFGSLineSearch: 23 00:25:47 -25.028457 0.000065 LBFGSLineSearch: 24 00:25:48 -25.028457 0.000003 Minimization converged after 24 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:56 -19.539650 0.392058 LBFGSLineSearch: 1 00:25:57 -19.562893 0.198232 LBFGSLineSearch: 2 00:25:58 -19.570961 0.105283 LBFGSLineSearch: 3 00:25:59 -19.572608 0.070211 LBFGSLineSearch: 4 00:26:00 -19.573698 0.025303 LBFGSLineSearch: 5 00:26:00 -19.574027 0.030675 LBFGSLineSearch: 6 00:26:01 -19.574187 0.021312 LBFGSLineSearch: 7 00:26:01 -19.574324 0.026204 LBFGSLineSearch: 8 00:26:02 -19.574431 0.028081 LBFGSLineSearch: 9 00:26:02 -19.574656 0.055975 LBFGSLineSearch: 10 00:26:02 -19.575069 0.073315 LBFGSLineSearch: 11 00:26:03 -19.575886 0.051643 LBFGSLineSearch: 12 00:26:04 -19.576827 0.073739 LBFGSLineSearch: 13 00:26:04 -19.577429 0.092890 LBFGSLineSearch: 14 00:26:05 -19.579545 0.134925 LBFGSLineSearch: 15 00:26:05 -19.580877 0.131888 LBFGSLineSearch: 16 00:26:07 -19.583027 0.120507 LBFGSLineSearch: 17 00:26:07 -19.585640 0.135871 LBFGSLineSearch: 18 00:26:08 -19.590703 0.197448 LBFGSLineSearch: 19 00:26:09 -19.595953 0.131348 LBFGSLineSearch: 20 00:26:10 -19.597623 0.144250 LBFGSLineSearch: 21 00:26:11 -19.599665 0.085010 LBFGSLineSearch: 22 00:26:11 -19.600286 0.069847 LBFGSLineSearch: 23 00:26:12 -19.600786 0.068232 LBFGSLineSearch: 24 00:26:12 -19.601317 0.062164 LBFGSLineSearch: 25 00:26:13 -19.601971 0.066468 LBFGSLineSearch: 26 00:26:13 -19.602960 0.047828 LBFGSLineSearch: 27 00:26:14 -19.603210 0.018312 LBFGSLineSearch: 28 00:26:14 -19.603245 0.009245 LBFGSLineSearch: 29 00:26:15 -19.603254 0.007784 LBFGSLineSearch: 30 00:26:16 -19.603264 0.008657 LBFGSLineSearch: 31 00:26:17 -19.603287 0.004641 LBFGSLineSearch: 32 00:26:18 -19.603291 0.001955 LBFGSLineSearch: 33 00:26:18 -19.603291 0.000176 LBFGSLineSearch: 34 00:26:18 -19.603291 0.000041 LBFGSLineSearch: 35 00:26:19 -19.603291 0.000001 Minimization converged after 35 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:26:26 -13.538430 0.433204 LBFGSLineSearch: 1 00:26:27 -13.566047 0.188335 LBFGSLineSearch: 2 00:26:28 -13.572897 0.055397 LBFGSLineSearch: 3 00:26:29 -13.573392 0.062157 LBFGSLineSearch: 4 00:26:29 -13.573736 0.065150 LBFGSLineSearch: 5 00:26:30 -13.573994 0.056683 LBFGSLineSearch: 6 00:26:31 -13.574291 0.042388 LBFGSLineSearch: 7 00:26:32 -13.574705 0.030952 LBFGSLineSearch: 8 00:26:33 -13.574925 0.019394 LBFGSLineSearch: 9 00:26:33 -13.575024 0.015528 LBFGSLineSearch: 10 00:26:35 -13.575076 0.011713 LBFGSLineSearch: 11 00:26:35 -13.575111 0.010204 LBFGSLineSearch: 12 00:26:36 -13.575161 0.010101 LBFGSLineSearch: 13 00:26:37 -13.575177 0.010845 LBFGSLineSearch: 14 00:26:37 -13.575188 0.005640 LBFGSLineSearch: 15 00:26:38 -13.575190 0.004137 LBFGSLineSearch: 16 00:26:39 -13.575196 0.002846 LBFGSLineSearch: 17 00:26:40 -13.575199 0.002694 LBFGSLineSearch: 18 00:26:41 -13.575202 0.002468 LBFGSLineSearch: 19 00:26:42 -13.575203 0.001124 LBFGSLineSearch: 20 00:26:43 -13.575203 0.000262 LBFGSLineSearch: 21 00:26:43 -13.575203 0.000102 LBFGSLineSearch: 22 00:26:44 -13.575203 0.000086 LBFGSLineSearch: 23 00:26:45 -13.575203 0.000121 LBFGSLineSearch: 24 00:26:45 -13.575203 0.000048 LBFGSLineSearch: 25 00:26:46 -13.575203 0.000013 LBFGSLineSearch: 26 00:26:47 -13.575203 0.000000 Minimization converged after 26 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:26:57 -6.850397 0.480343 LBFGSLineSearch: 1 00:27:00 -6.896263 0.128533 LBFGSLineSearch: 2 00:27:00 -6.897994 0.079296 LBFGSLineSearch: 3 00:27:01 -6.899106 0.053691 LBFGSLineSearch: 4 00:27:01 -6.899683 0.039000 LBFGSLineSearch: 5 00:27:02 -6.899857 0.023873 LBFGSLineSearch: 6 00:27:03 -6.899966 0.015770 LBFGSLineSearch: 7 00:27:04 -6.900022 0.014990 LBFGSLineSearch: 8 00:27:05 -6.900053 0.016361 LBFGSLineSearch: 9 00:27:05 -6.900098 0.024442 LBFGSLineSearch: 10 00:27:06 -6.900234 0.022777 LBFGSLineSearch: 11 00:27:07 -6.900443 0.036651 LBFGSLineSearch: 12 00:27:09 -6.901163 0.035427 LBFGSLineSearch: 13 00:27:09 -6.901380 0.030378 LBFGSLineSearch: 14 00:27:10 -6.901588 0.029506 LBFGSLineSearch: 15 00:27:10 -6.901752 0.037189 LBFGSLineSearch: 16 00:27:11 -6.901897 0.032717 LBFGSLineSearch: 17 00:27:11 -6.902149 0.046272 LBFGSLineSearch: 18 00:27:12 -6.902399 0.032037 LBFGSLineSearch: 19 00:27:12 -6.902533 0.040214 LBFGSLineSearch: 20 00:27:13 -6.902907 0.029191 LBFGSLineSearch: 21 00:27:13 -6.903083 0.016469 LBFGSLineSearch: 22 00:27:14 -6.903124 0.008690 LBFGSLineSearch: 23 00:27:15 -6.903133 0.002176 LBFGSLineSearch: 24 00:27:16 -6.903134 0.001178 LBFGSLineSearch: 25 00:27:17 -6.903134 0.000705 LBFGSLineSearch: 26 00:27:17 -6.903134 0.000694 LBFGSLineSearch: 27 00:27:18 -6.903134 0.000632 LBFGSLineSearch: 28 00:27:19 -6.903134 0.000511 LBFGSLineSearch: 29 00:27:21 -6.903134 0.000429 LBFGSLineSearch: 30 00:27:23 -6.903134 0.000193 LBFGSLineSearch: 31 00:27:24 -6.903134 0.000035 LBFGSLineSearch: 32 00:27:25 -6.903134 0.000000 Minimization converged after 32 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:27:34 0.527825 0.530783 LBFGSLineSearch: 1 00:27:37 0.485204 0.240213 LBFGSLineSearch: 2 00:27:39 0.472914 0.109312 LBFGSLineSearch: 3 00:27:42 0.471145 0.071144 LBFGSLineSearch: 4 00:27:44 0.470071 0.042037 LBFGSLineSearch: 5 00:27:46 0.469687 0.036927 LBFGSLineSearch: 6 00:27:48 0.469581 0.017670 LBFGSLineSearch: 7 00:27:49 0.469462 0.025899 LBFGSLineSearch: 8 00:27:49 0.469331 0.022905 LBFGSLineSearch: 9 00:27:50 0.469233 0.020425 LBFGSLineSearch: 10 00:27:52 0.469143 0.030396 LBFGSLineSearch: 11 00:27:54 0.468774 0.019164 LBFGSLineSearch: 12 00:27:54 0.468633 0.015445 LBFGSLineSearch: 13 00:27:55 0.468594 0.010907 LBFGSLineSearch: 14 00:27:55 0.468578 0.012206 LBFGSLineSearch: 15 00:27:56 0.468526 0.014429 LBFGSLineSearch: 16 00:27:56 0.468482 0.009941 LBFGSLineSearch: 17 00:27:57 0.468458 0.006332 LBFGSLineSearch: 18 00:27:57 0.468451 0.005366 LBFGSLineSearch: 19 00:27:58 0.468448 0.001154 LBFGSLineSearch: 20 00:27:58 0.468447 0.001313 LBFGSLineSearch: 21 00:27:59 0.468447 0.001285 LBFGSLineSearch: 22 00:27:59 0.468447 0.000814 LBFGSLineSearch: 23 00:28:00 0.468447 0.000915 LBFGSLineSearch: 24 00:28:00 0.468447 0.000025 LBFGSLineSearch: 25 00:28:00 0.468447 0.000001 Minimization converged after 25 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:28:08 8.673661 0.586087 LBFGSLineSearch: 1 00:28:09 8.621773 0.265509 LBFGSLineSearch: 2 00:28:09 8.608997 0.073102 LBFGSLineSearch: 3 00:28:09 8.607935 0.059255 LBFGSLineSearch: 4 00:28:10 8.607521 0.037937 LBFGSLineSearch: 5 00:28:10 8.607301 0.034278 LBFGSLineSearch: 6 00:28:11 8.607172 0.034388 LBFGSLineSearch: 7 00:28:11 8.607020 0.025206 LBFGSLineSearch: 8 00:28:13 8.606796 0.016240 LBFGSLineSearch: 9 00:28:13 8.606750 0.009365 LBFGSLineSearch: 10 00:28:14 8.606734 0.007775 LBFGSLineSearch: 11 00:28:15 8.606702 0.006650 LBFGSLineSearch: 12 00:28:15 8.606687 0.011336 LBFGSLineSearch: 13 00:28:16 8.606675 0.004338 LBFGSLineSearch: 14 00:28:16 8.606672 0.002639 LBFGSLineSearch: 15 00:28:17 8.606672 0.002342 LBFGSLineSearch: 16 00:28:18 8.606671 0.001942 LBFGSLineSearch: 17 00:28:18 8.606670 0.002182 LBFGSLineSearch: 18 00:28:19 8.606669 0.003409 LBFGSLineSearch: 19 00:28:20 8.606667 0.000873 LBFGSLineSearch: 20 00:28:21 8.606667 0.000781 LBFGSLineSearch: 21 00:28:23 8.606667 0.000953 LBFGSLineSearch: 22 00:28:26 8.606667 0.000135 LBFGSLineSearch: 23 00:28:29 8.606667 0.000003 Minimization converged after 23 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:28:37 17.669215 0.647326 LBFGSLineSearch: 1 00:28:37 17.605741 0.272103 LBFGSLineSearch: 2 00:28:38 17.591699 0.073686 LBFGSLineSearch: 3 00:28:38 17.590855 0.034792 LBFGSLineSearch: 4 00:28:39 17.590606 0.028838 LBFGSLineSearch: 5 00:28:41 17.590360 0.033830 LBFGSLineSearch: 6 00:28:42 17.590057 0.047144 LBFGSLineSearch: 7 00:28:43 17.589658 0.026797 LBFGSLineSearch: 8 00:28:43 17.589537 0.015466 LBFGSLineSearch: 9 00:28:44 17.589510 0.016056 LBFGSLineSearch: 10 00:28:45 17.589476 0.012301 LBFGSLineSearch: 11 00:28:46 17.589439 0.017597 LBFGSLineSearch: 12 00:28:46 17.589387 0.008027 LBFGSLineSearch: 13 00:28:47 17.589375 0.004050 LBFGSLineSearch: 14 00:28:47 17.589372 0.002192 LBFGSLineSearch: 15 00:28:47 17.589372 0.001376 LBFGSLineSearch: 16 00:28:48 17.589371 0.000419 LBFGSLineSearch: 17 00:28:48 17.589371 0.000265 LBFGSLineSearch: 18 00:28:49 17.589371 0.000243 LBFGSLineSearch: 19 00:28:50 17.589371 0.000236 LBFGSLineSearch: 20 00:28:50 17.589371 0.000159 LBFGSLineSearch: 21 00:28:51 17.589371 0.000092 LBFGSLineSearch: 22 00:28:52 17.589371 0.000094 LBFGSLineSearch: 23 00:28:53 17.589371 0.000017 LBFGSLineSearch: 24 00:28:54 17.589371 0.000000 Minimization converged after 24 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:03 27.584393 0.713930 LBFGSLineSearch: 1 00:29:03 27.508369 0.285760 LBFGSLineSearch: 2 00:29:04 27.494213 0.076710 LBFGSLineSearch: 3 00:29:05 27.493239 0.040746 LBFGSLineSearch: 4 00:29:05 27.492898 0.041002 LBFGSLineSearch: 5 00:29:06 27.492621 0.034929 LBFGSLineSearch: 6 00:29:07 27.492355 0.024378 LBFGSLineSearch: 7 00:29:07 27.492275 0.011624 LBFGSLineSearch: 8 00:29:08 27.492253 0.006429 LBFGSLineSearch: 9 00:29:10 27.492248 0.005997 LBFGSLineSearch: 10 00:29:12 27.492245 0.005214 LBFGSLineSearch: 11 00:29:14 27.492243 0.004227 LBFGSLineSearch: 12 00:29:15 27.492236 0.004678 LBFGSLineSearch: 13 00:29:15 27.492230 0.006291 LBFGSLineSearch: 14 00:29:15 27.492225 0.002211 LBFGSLineSearch: 15 00:29:16 27.492224 0.002176 LBFGSLineSearch: 16 00:29:17 27.492224 0.001665 LBFGSLineSearch: 17 00:29:17 27.492223 0.001552 LBFGSLineSearch: 18 00:29:18 27.492222 0.002205 LBFGSLineSearch: 19 00:29:18 27.492221 0.000964 LBFGSLineSearch: 20 00:29:19 27.492221 0.000160 LBFGSLineSearch: 21 00:29:19 27.492221 0.000126 LBFGSLineSearch: 22 00:29:20 27.492221 0.000107 LBFGSLineSearch: 23 00:29:20 27.492221 0.000029 LBFGSLineSearch: 24 00:29:21 27.492221 0.000002 Minimization converged after 24 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:29 38.511538 0.787094 LBFGSLineSearch: 1 00:29:29 38.422593 0.267534 LBFGSLineSearch: 2 00:29:30 38.410341 0.068622 LBFGSLineSearch: 3 00:29:30 38.409420 0.026463 LBFGSLineSearch: 4 00:29:31 38.409305 0.022489 LBFGSLineSearch: 5 00:29:32 38.409261 0.013427 LBFGSLineSearch: 6 00:29:32 38.409179 0.016507 LBFGSLineSearch: 7 00:29:33 38.409137 0.013175 LBFGSLineSearch: 8 00:29:33 38.409101 0.013489 LBFGSLineSearch: 9 00:29:34 38.409080 0.012190 LBFGSLineSearch: 10 00:29:36 38.409062 0.009232 LBFGSLineSearch: 11 00:29:36 38.409036 0.010640 LBFGSLineSearch: 12 00:29:37 38.409012 0.004695 LBFGSLineSearch: 13 00:29:38 38.409004 0.004991 LBFGSLineSearch: 14 00:29:39 38.409000 0.003678 LBFGSLineSearch: 15 00:29:40 38.408998 0.003504 LBFGSLineSearch: 16 00:29:40 38.408994 0.005363 LBFGSLineSearch: 17 00:29:40 38.408987 0.000803 LBFGSLineSearch: 18 00:29:41 38.408987 0.000247 LBFGSLineSearch: 19 00:29:41 38.408987 0.000106 LBFGSLineSearch: 20 00:29:42 38.408987 0.000096 LBFGSLineSearch: 21 00:29:43 38.408987 0.000079 LBFGSLineSearch: 22 00:29:43 38.408987 0.000011 LBFGSLineSearch: 23 00:29:43 38.408987 0.000000 Minimization converged after 23 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:51 50.551141 0.867297 LBFGSLineSearch: 1 00:29:51 50.446205 0.264973 LBFGSLineSearch: 2 00:29:51 50.434886 0.070985 LBFGSLineSearch: 3 00:29:52 50.433985 0.035005 LBFGSLineSearch: 4 00:29:52 50.433878 0.014295 LBFGSLineSearch: 5 00:29:53 50.433839 0.016354 LBFGSLineSearch: 6 00:29:53 50.433809 0.016546 LBFGSLineSearch: 7 00:29:54 50.433742 0.018947 LBFGSLineSearch: 8 00:29:54 50.433700 0.013315 LBFGSLineSearch: 9 00:29:55 50.433674 0.012320 LBFGSLineSearch: 10 00:29:55 50.433656 0.006954 LBFGSLineSearch: 11 00:29:57 50.433641 0.010148 LBFGSLineSearch: 12 00:29:58 50.433625 0.007891 LBFGSLineSearch: 13 00:29:58 50.433617 0.006197 LBFGSLineSearch: 14 00:29:59 50.433612 0.003261 LBFGSLineSearch: 15 00:30:01 50.433610 0.003326 LBFGSLineSearch: 16 00:30:02 50.433607 0.003544 LBFGSLineSearch: 17 00:30:02 50.433603 0.001607 LBFGSLineSearch: 18 00:30:03 50.433602 0.000386 LBFGSLineSearch: 19 00:30:03 50.433602 0.000126 LBFGSLineSearch: 20 00:30:05 50.433602 0.000034 LBFGSLineSearch: 21 00:30:05 50.433602 0.000029 LBFGSLineSearch: 22 00:30:06 50.433602 0.000000 Minimization converged after 22 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:14 63.802856 0.954947 LBFGSLineSearch: 1 00:30:15 63.679365 0.256859 LBFGSLineSearch: 2 00:30:16 63.669183 0.073217 LBFGSLineSearch: 3 00:30:17 63.668304 0.042136 LBFGSLineSearch: 4 00:30:18 63.668179 0.017558 LBFGSLineSearch: 5 00:30:19 63.668142 0.016955 LBFGSLineSearch: 6 00:30:19 63.668112 0.015675 LBFGSLineSearch: 7 00:30:20 63.668045 0.015774 LBFGSLineSearch: 8 00:30:20 63.668000 0.013594 LBFGSLineSearch: 9 00:30:21 63.667966 0.012396 LBFGSLineSearch: 10 00:30:21 63.667946 0.006509 LBFGSLineSearch: 11 00:30:23 63.667933 0.006575 LBFGSLineSearch: 12 00:30:23 63.667920 0.006961 LBFGSLineSearch: 13 00:30:24 63.667909 0.005905 LBFGSLineSearch: 14 00:30:26 63.667906 0.003802 LBFGSLineSearch: 15 00:30:27 63.667905 0.003314 LBFGSLineSearch: 16 00:30:27 63.667904 0.003847 LBFGSLineSearch: 17 00:30:28 63.667898 0.003271 LBFGSLineSearch: 18 00:30:28 63.667896 0.001287 LBFGSLineSearch: 19 00:30:28 63.667896 0.000452 LBFGSLineSearch: 20 00:30:29 63.667896 0.000081 LBFGSLineSearch: 21 00:30:29 63.667896 0.000045 LBFGSLineSearch: 22 00:30:30 63.667896 0.000048 LBFGSLineSearch: 23 00:30:31 63.667896 0.000032 LBFGSLineSearch: 24 00:30:32 63.667896 0.000000 Minimization converged after 24 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:40 78.375988 1.050578 LBFGSLineSearch: 1 00:30:41 78.231552 0.238474 LBFGSLineSearch: 2 00:30:42 78.223023 0.072002 LBFGSLineSearch: 3 00:30:42 78.222175 0.048351 LBFGSLineSearch: 4 00:30:43 78.222025 0.021857 LBFGSLineSearch: 5 00:30:44 78.221985 0.016392 LBFGSLineSearch: 6 00:30:44 78.221951 0.016809 LBFGSLineSearch: 7 00:30:45 78.221898 0.019509 LBFGSLineSearch: 8 00:30:46 78.221852 0.013732 LBFGSLineSearch: 9 00:30:46 78.221806 0.013673 LBFGSLineSearch: 10 00:30:47 78.221782 0.006254 LBFGSLineSearch: 11 00:30:48 78.221770 0.007576 LBFGSLineSearch: 12 00:30:49 78.221755 0.007382 LBFGSLineSearch: 13 00:30:50 78.221742 0.003724 LBFGSLineSearch: 14 00:30:51 78.221741 0.003320 LBFGSLineSearch: 15 00:30:53 78.221735 0.003531 LBFGSLineSearch: 16 00:30:53 78.221731 0.001785 LBFGSLineSearch: 17 00:30:54 78.221730 0.000596 LBFGSLineSearch: 18 00:30:55 78.221730 0.000580 LBFGSLineSearch: 19 00:30:56 78.221730 0.000438 LBFGSLineSearch: 20 00:30:57 78.221730 0.000092 LBFGSLineSearch: 21 00:30:59 78.221730 0.000000 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:08 94.390181 1.154889 LBFGSLineSearch: 1 00:31:09 94.221392 0.215251 LBFGSLineSearch: 2 00:31:10 94.214351 0.079026 LBFGSLineSearch: 3 00:31:11 94.213504 0.057794 LBFGSLineSearch: 4 00:31:11 94.213319 0.028206 LBFGSLineSearch: 5 00:31:12 94.213268 0.022259 LBFGSLineSearch: 6 00:31:13 94.213220 0.020908 LBFGSLineSearch: 7 00:31:14 94.213121 0.030305 LBFGSLineSearch: 8 00:31:14 94.213035 0.023503 LBFGSLineSearch: 9 00:31:14 94.212946 0.017373 LBFGSLineSearch: 10 00:31:15 94.212907 0.007116 LBFGSLineSearch: 11 00:31:15 94.212893 0.006589 LBFGSLineSearch: 12 00:31:15 94.212877 0.008118 LBFGSLineSearch: 13 00:31:16 94.212863 0.004390 LBFGSLineSearch: 14 00:31:16 94.212861 0.004504 LBFGSLineSearch: 15 00:31:17 94.212855 0.003845 LBFGSLineSearch: 16 00:31:18 94.212846 0.004132 LBFGSLineSearch: 17 00:31:18 94.212845 0.001268 LBFGSLineSearch: 18 00:31:18 94.212844 0.000199 LBFGSLineSearch: 19 00:31:19 94.212844 0.000126 LBFGSLineSearch: 20 00:31:20 94.212844 0.000117 LBFGSLineSearch: 21 00:31:21 94.212844 0.000049 LBFGSLineSearch: 22 00:31:21 94.212844 0.000001 Minimization converged after 22 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:30 111.969462 1.268331 LBFGSLineSearch: 1 00:31:32 111.773905 0.176295 LBFGSLineSearch: 2 00:31:33 111.768727 0.084227 LBFGSLineSearch: 3 00:31:33 111.768009 0.048696 LBFGSLineSearch: 4 00:31:33 111.767671 0.032642 LBFGSLineSearch: 5 00:31:35 111.767606 0.023548 LBFGSLineSearch: 6 00:31:36 111.767541 0.026270 LBFGSLineSearch: 7 00:31:40 111.767419 0.039530 LBFGSLineSearch: 8 00:31:41 111.767299 0.023616 LBFGSLineSearch: 9 00:31:41 111.767166 0.019050 LBFGSLineSearch: 10 00:31:43 111.767118 0.009225 LBFGSLineSearch: 11 00:31:44 111.767105 0.008082 LBFGSLineSearch: 12 00:31:45 111.767088 0.008407 LBFGSLineSearch: 13 00:31:45 111.767069 0.005240 LBFGSLineSearch: 14 00:31:46 111.767066 0.004698 LBFGSLineSearch: 15 00:31:47 111.767058 0.007008 LBFGSLineSearch: 16 00:31:47 111.767048 0.008691 LBFGSLineSearch: 17 00:31:48 111.767045 0.003546 LBFGSLineSearch: 18 00:31:48 111.767045 0.000318 LBFGSLineSearch: 19 00:31:50 111.767045 0.000256 LBFGSLineSearch: 20 00:31:50 111.767045 0.000123 LBFGSLineSearch: 21 00:31:51 111.767045 0.000019 LBFGSLineSearch: 22 00:31:51 111.767045 0.000000 Minimization converged after 22 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:59 131.251419 1.391741 LBFGSLineSearch: 1 00:32:00 131.026864 0.151033 LBFGSLineSearch: 2 00:32:01 131.023387 0.088266 LBFGSLineSearch: 3 00:32:02 131.022557 0.062501 LBFGSLineSearch: 4 00:32:04 131.022292 0.036725 LBFGSLineSearch: 5 00:32:06 131.022211 0.027279 LBFGSLineSearch: 6 00:32:09 131.022131 0.030248 LBFGSLineSearch: 7 00:32:11 131.021977 0.043643 LBFGSLineSearch: 8 00:32:13 131.021822 0.029384 LBFGSLineSearch: 9 00:32:17 131.021617 0.017407 LBFGSLineSearch: 10 00:32:19 131.021580 0.009987 LBFGSLineSearch: 11 00:32:20 131.021550 0.010256 LBFGSLineSearch: 12 00:32:22 131.021522 0.009589 LBFGSLineSearch: 13 00:32:25 131.021510 0.005875 LBFGSLineSearch: 14 00:32:28 131.021504 0.005733 LBFGSLineSearch: 15 00:32:29 131.021485 0.009022 LBFGSLineSearch: 16 00:32:29 131.021479 0.002776 LBFGSLineSearch: 17 00:32:30 131.021478 0.001253 LBFGSLineSearch: 18 00:32:30 131.021478 0.001536 LBFGSLineSearch: 19 00:32:30 131.021478 0.000454 LBFGSLineSearch: 20 00:32:31 131.021477 0.000147 LBFGSLineSearch: 21 00:32:32 131.021477 0.000016 LBFGSLineSearch: 22 00:32:33 131.021477 0.000000 Minimization converged after 22 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:39 152.384593 1.525937 LBFGSLineSearch: 1 00:32:39 152.129024 0.170284 LBFGSLineSearch: 2 00:32:40 152.126548 0.097274 LBFGSLineSearch: 3 00:32:40 152.125690 0.085681 LBFGSLineSearch: 4 00:32:40 152.125475 0.032822 LBFGSLineSearch: 5 00:32:41 152.125421 0.028412 LBFGSLineSearch: 6 00:32:43 152.125365 0.028229 LBFGSLineSearch: 7 00:32:43 152.125272 0.031655 LBFGSLineSearch: 8 00:32:45 152.125148 0.035719 LBFGSLineSearch: 9 00:32:47 152.124892 0.017646 LBFGSLineSearch: 10 00:32:48 152.124863 0.009290 LBFGSLineSearch: 11 00:32:51 152.124853 0.009455 LBFGSLineSearch: 12 00:32:54 152.124842 0.008698 LBFGSLineSearch: 13 00:32:57 152.124816 0.007952 LBFGSLineSearch: 14 00:33:00 152.124808 0.004053 LBFGSLineSearch: 15 00:33:02 152.124803 0.007580 LBFGSLineSearch: 16 00:33:03 152.124794 0.002880 LBFGSLineSearch: 17 00:33:04 152.124793 0.001169 LBFGSLineSearch: 18 00:33:04 152.124793 0.001133 LBFGSLineSearch: 19 00:33:05 152.124793 0.000920 LBFGSLineSearch: 20 00:33:05 152.124792 0.000504 LBFGSLineSearch: 21 00:33:05 152.124792 0.000170 LBFGSLineSearch: 22 00:33:06 152.124792 0.000001 Minimization converged after 22 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:13 175.531056 1.671876 LBFGSLineSearch: 1 00:33:13 175.240053 0.187813 LBFGSLineSearch: 2 00:33:14 175.237218 0.101419 LBFGSLineSearch: 3 00:33:15 175.236358 0.102316 LBFGSLineSearch: 4 00:33:16 175.236022 0.040621 LBFGSLineSearch: 5 00:33:16 175.235896 0.029596 LBFGSLineSearch: 6 00:33:17 175.235690 0.046648 LBFGSLineSearch: 7 00:33:17 175.235405 0.034670 LBFGSLineSearch: 8 00:33:18 175.235075 0.042019 LBFGSLineSearch: 9 00:33:18 175.234899 0.016180 LBFGSLineSearch: 10 00:33:19 175.234833 0.021265 LBFGSLineSearch: 11 00:33:19 175.234724 0.009967 LBFGSLineSearch: 12 00:33:20 175.234711 0.009616 LBFGSLineSearch: 13 00:33:21 175.234700 0.011778 LBFGSLineSearch: 14 00:33:22 175.234669 0.018350 LBFGSLineSearch: 15 00:33:22 175.234654 0.007133 LBFGSLineSearch: 16 00:33:22 175.234652 0.002819 LBFGSLineSearch: 17 00:33:23 175.234651 0.002401 LBFGSLineSearch: 18 00:33:23 175.234649 0.002489 LBFGSLineSearch: 19 00:33:24 175.234649 0.000906 LBFGSLineSearch: 20 00:33:24 175.234649 0.000003 Minimization converged after 20 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:32 200.853409 1.829912 LBFGSLineSearch: 1 00:33:33 200.524875 0.199167 LBFGSLineSearch: 2 00:33:34 200.521670 0.114866 LBFGSLineSearch: 3 00:33:34 200.520905 0.123951 LBFGSLineSearch: 4 00:33:34 200.520439 0.044569 LBFGSLineSearch: 5 00:33:35 200.520332 0.037460 LBFGSLineSearch: 6 00:33:35 200.520151 0.032830 LBFGSLineSearch: 7 00:33:35 200.519916 0.040344 LBFGSLineSearch: 8 00:33:36 200.519647 0.037367 LBFGSLineSearch: 9 00:33:36 200.519299 0.041024 LBFGSLineSearch: 10 00:33:36 200.519190 0.023266 LBFGSLineSearch: 11 00:33:37 200.519127 0.015673 LBFGSLineSearch: 12 00:33:37 200.519057 0.026425 LBFGSLineSearch: 13 00:33:38 200.518959 0.011014 LBFGSLineSearch: 14 00:33:40 200.518936 0.018923 LBFGSLineSearch: 15 00:33:41 200.518886 0.005610 LBFGSLineSearch: 16 00:33:42 200.518884 0.003641 LBFGSLineSearch: 17 00:33:44 200.518883 0.003392 LBFGSLineSearch: 18 00:33:44 200.518882 0.004300 LBFGSLineSearch: 19 00:33:45 200.518878 0.000608 LBFGSLineSearch: 20 00:33:46 200.518878 0.000203 LBFGSLineSearch: 21 00:33:46 200.518878 0.000024 LBFGSLineSearch: 22 00:33:46 200.518878 0.000002 Minimization converged after 22 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:54 228.537831 2.001354 LBFGSLineSearch: 1 00:33:54 228.167694 0.211029 LBFGSLineSearch: 2 00:33:55 228.164119 0.133040 LBFGSLineSearch: 3 00:33:55 228.163142 0.080934 LBFGSLineSearch: 4 00:33:56 228.162855 0.047981 LBFGSLineSearch: 5 00:33:56 228.162658 0.040163 LBFGSLineSearch: 6 00:33:57 228.162459 0.039335 LBFGSLineSearch: 7 00:33:57 228.162203 0.038966 LBFGSLineSearch: 8 00:33:58 228.161881 0.041465 LBFGSLineSearch: 9 00:33:59 228.161457 0.022084 LBFGSLineSearch: 10 00:34:00 228.161322 0.021082 LBFGSLineSearch: 11 00:34:00 228.161244 0.012724 LBFGSLineSearch: 12 00:34:01 228.161206 0.012369 LBFGSLineSearch: 13 00:34:02 228.161195 0.012087 LBFGSLineSearch: 14 00:34:03 228.161145 0.014874 LBFGSLineSearch: 15 00:34:04 228.161110 0.004410 LBFGSLineSearch: 16 00:34:05 228.161108 0.004494 LBFGSLineSearch: 17 00:34:06 228.161102 0.003573 LBFGSLineSearch: 18 00:34:06 228.161101 0.000786 LBFGSLineSearch: 19 00:34:06 228.161100 0.000004 Minimization converged after 19 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:14 258.781124 2.187147 LBFGSLineSearch: 1 00:34:15 258.364556 0.223752 LBFGSLineSearch: 2 00:34:15 258.360582 0.155865 LBFGSLineSearch: 3 00:34:16 258.359553 0.079708 LBFGSLineSearch: 4 00:34:16 258.359250 0.052125 LBFGSLineSearch: 5 00:34:17 258.359004 0.046302 LBFGSLineSearch: 6 00:34:18 258.358781 0.044696 LBFGSLineSearch: 7 00:34:18 258.358488 0.044316 LBFGSLineSearch: 8 00:34:19 258.358104 0.045306 LBFGSLineSearch: 9 00:34:19 258.357664 0.025786 LBFGSLineSearch: 10 00:34:21 258.357490 0.024180 LBFGSLineSearch: 11 00:34:21 258.357368 0.014344 LBFGSLineSearch: 12 00:34:22 258.357347 0.014649 LBFGSLineSearch: 13 00:34:23 258.357331 0.015048 LBFGSLineSearch: 14 00:34:26 258.357234 0.011062 LBFGSLineSearch: 15 00:34:27 258.357224 0.005753 LBFGSLineSearch: 16 00:34:28 258.357221 0.005551 LBFGSLineSearch: 17 00:34:28 258.357218 0.005350 LBFGSLineSearch: 18 00:34:29 258.357208 0.000373 LBFGSLineSearch: 19 00:34:29 258.357208 0.000000 Minimization converged after 19 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:36 291.793162 2.388282 LBFGSLineSearch: 1 00:34:37 291.325231 0.236918 LBFGSLineSearch: 2 00:34:37 291.320866 0.184558 LBFGSLineSearch: 3 00:34:38 291.319753 0.076523 LBFGSLineSearch: 4 00:34:38 291.319440 0.056270 LBFGSLineSearch: 5 00:34:38 291.319147 0.052056 LBFGSLineSearch: 6 00:34:39 291.318912 0.048979 LBFGSLineSearch: 7 00:34:39 291.318566 0.049510 LBFGSLineSearch: 8 00:34:39 291.318121 0.050045 LBFGSLineSearch: 9 00:34:40 291.317675 0.027890 LBFGSLineSearch: 10 00:34:41 291.317485 0.037161 LBFGSLineSearch: 11 00:34:42 291.317319 0.021553 LBFGSLineSearch: 12 00:34:43 291.317290 0.018286 LBFGSLineSearch: 13 00:34:43 291.317272 0.017677 LBFGSLineSearch: 14 00:34:44 291.317235 0.026657 LBFGSLineSearch: 15 00:34:44 291.317121 0.006855 LBFGSLineSearch: 16 00:34:44 291.317116 0.006765 LBFGSLineSearch: 17 00:34:45 291.317111 0.007009 LBFGSLineSearch: 18 00:34:47 291.317095 0.001642 LBFGSLineSearch: 19 00:34:48 291.317094 0.000117 LBFGSLineSearch: 20 00:34:49 291.317094 0.000008 Minimization converged after 20 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:57 327.799262 2.605870 LBFGSLineSearch: 1 00:34:58 327.274609 0.253991 LBFGSLineSearch: 2 00:34:59 327.269887 0.219565 LBFGSLineSearch: 3 00:35:00 327.268644 0.086155 LBFGSLineSearch: 4 00:35:00 327.268322 0.068377 LBFGSLineSearch: 5 00:35:00 327.267996 0.056113 LBFGSLineSearch: 6 00:35:01 327.267750 0.051713 LBFGSLineSearch: 7 00:35:02 327.267331 0.054187 LBFGSLineSearch: 8 00:35:03 327.266862 0.055450 LBFGSLineSearch: 9 00:35:04 327.266383 0.032666 LBFGSLineSearch: 10 00:35:07 327.266158 0.040980 LBFGSLineSearch: 11 00:35:08 327.265950 0.023536 LBFGSLineSearch: 12 00:35:08 327.265912 0.022927 LBFGSLineSearch: 13 00:35:09 327.265877 0.020615 LBFGSLineSearch: 14 00:35:10 327.265663 0.009731 LBFGSLineSearch: 15 00:35:10 327.265658 0.008597 LBFGSLineSearch: 16 00:35:12 327.265625 0.009598 LBFGSLineSearch: 17 00:35:13 327.265621 0.001386 LBFGSLineSearch: 18 00:35:13 327.265621 0.000001 Minimization converged after 18 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:20 367.040595 2.841069 LBFGSLineSearch: 1 00:35:21 366.453394 0.281757 LBFGSLineSearch: 2 00:35:21 366.448378 0.260973 LBFGSLineSearch: 3 00:35:22 366.446949 0.106108 LBFGSLineSearch: 4 00:35:22 366.446609 0.084686 LBFGSLineSearch: 5 00:35:23 366.446335 0.056635 LBFGSLineSearch: 6 00:35:23 366.446016 0.053662 LBFGSLineSearch: 7 00:35:23 366.445713 0.099477 LBFGSLineSearch: 8 00:35:24 366.445353 0.053324 LBFGSLineSearch: 9 00:35:25 366.444820 0.062874 LBFGSLineSearch: 10 00:35:25 366.444341 0.045431 LBFGSLineSearch: 11 00:35:26 366.444110 0.045051 LBFGSLineSearch: 12 00:35:26 366.443930 0.023449 LBFGSLineSearch: 13 00:35:27 366.443882 0.027053 LBFGSLineSearch: 14 00:35:28 366.443814 0.032121 LBFGSLineSearch: 15 00:35:28 366.443557 0.013365 LBFGSLineSearch: 16 00:35:29 366.443503 0.011056 LBFGSLineSearch: 17 00:35:29 366.443489 0.010775 LBFGSLineSearch: 18 00:35:30 366.443454 0.012815 LBFGSLineSearch: 19 00:35:30 366.443441 0.005152 LBFGSLineSearch: 20 00:35:32 366.443439 0.000102 LBFGSLineSearch: 21 00:35:34 366.443439 0.000014 LBFGSLineSearch: 22 00:35:37 366.443439 0.000000 Minimization converged after 22 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:46 409.774971 3.095109 LBFGSLineSearch: 1 00:35:48 409.118899 0.310920 LBFGSLineSearch: 2 00:35:48 409.113692 0.308206 LBFGSLineSearch: 3 00:35:49 409.112006 0.131750 LBFGSLineSearch: 4 00:35:50 409.111539 0.070096 LBFGSLineSearch: 5 00:35:52 409.111218 0.065107 LBFGSLineSearch: 6 00:35:55 409.110684 0.069560 LBFGSLineSearch: 7 00:35:56 409.110392 0.057429 LBFGSLineSearch: 8 00:35:56 409.109863 0.070513 LBFGSLineSearch: 9 00:35:57 409.109274 0.050093 LBFGSLineSearch: 10 00:35:58 409.108942 0.034836 LBFGSLineSearch: 11 00:35:58 409.108637 0.040367 LBFGSLineSearch: 12 00:35:58 409.108571 0.035866 LBFGSLineSearch: 13 00:35:59 409.108423 0.077358 LBFGSLineSearch: 14 00:35:59 409.107896 0.014779 LBFGSLineSearch: 15 00:36:00 409.107870 0.015256 LBFGSLineSearch: 16 00:36:02 409.107843 0.013975 LBFGSLineSearch: 17 00:36:04 409.107755 0.009871 LBFGSLineSearch: 18 00:36:05 409.107744 0.001347 LBFGSLineSearch: 19 00:36:06 409.107744 0.000008 Minimization converged after 19 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:14 456.277445 3.369267 LBFGSLineSearch: 1 00:36:15 455.545667 0.340755 LBFGSLineSearch: 2 00:36:15 455.540413 0.359213 LBFGSLineSearch: 3 00:36:16 455.538394 0.162753 LBFGSLineSearch: 4 00:36:16 455.537788 0.075696 LBFGSLineSearch: 5 00:36:17 455.537520 0.063865 LBFGSLineSearch: 6 00:36:18 455.536885 0.082984 LBFGSLineSearch: 7 00:36:18 455.536580 0.106138 LBFGSLineSearch: 8 00:36:19 455.536106 0.055666 LBFGSLineSearch: 9 00:36:19 455.535489 0.069637 LBFGSLineSearch: 10 00:36:20 455.534961 0.042708 LBFGSLineSearch: 11 00:36:21 455.534658 0.063970 LBFGSLineSearch: 12 00:36:21 455.534416 0.051010 LBFGSLineSearch: 13 00:36:22 455.534101 0.052577 LBFGSLineSearch: 14 00:36:23 455.533060 0.089903 LBFGSLineSearch: 15 00:36:24 455.532870 0.022417 LBFGSLineSearch: 16 00:36:25 455.532837 0.024039 LBFGSLineSearch: 17 00:36:26 455.532540 0.004201 LBFGSLineSearch: 18 00:36:27 455.532537 0.000932 LBFGSLineSearch: 19 00:36:27 455.532537 0.000049 LBFGSLineSearch: 20 00:36:27 455.532537 0.000000 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:36 506.839185 3.664761 LBFGSLineSearch: 1 00:36:37 506.024432 0.368015 LBFGSLineSearch: 2 00:36:37 506.019316 0.404191 LBFGSLineSearch: 3 00:36:37 506.016935 0.197658 LBFGSLineSearch: 4 00:36:38 506.016134 0.082442 LBFGSLineSearch: 5 00:36:39 506.015855 0.072326 LBFGSLineSearch: 6 00:36:39 506.014917 0.079381 LBFGSLineSearch: 7 00:36:40 506.014472 0.059288 LBFGSLineSearch: 8 00:36:41 506.014231 0.114261 LBFGSLineSearch: 9 00:36:41 506.013654 0.060736 LBFGSLineSearch: 10 00:36:41 506.013032 0.055889 LBFGSLineSearch: 11 00:36:42 506.012634 0.059107 LBFGSLineSearch: 12 00:36:43 506.012317 0.070721 LBFGSLineSearch: 13 00:36:44 506.011343 0.068438 LBFGSLineSearch: 14 00:36:46 506.009255 0.161576 LBFGSLineSearch: 15 00:36:50 505.425992 2.812965 LBFGSLineSearch: 16 00:36:50 505.425703 2.832320 LBFGSLineSearch: 17 00:36:51 505.249397 2.073755 LBFGSLineSearch: 18 00:36:51 505.054108 1.140156 LBFGSLineSearch: 19 00:36:51 504.973840 0.881771 LBFGSLineSearch: 20 00:36:52 504.886744 0.427419 LBFGSLineSearch: 21 00:36:52 504.845823 0.279082 LBFGSLineSearch: 22 00:36:52 504.833357 0.120809 LBFGSLineSearch: 23 00:36:53 504.831957 0.085174 LBFGSLineSearch: 24 00:36:54 504.829933 0.140465 LBFGSLineSearch: 25 00:36:54 504.828384 0.131342 LBFGSLineSearch: 26 00:36:54 504.818727 0.380928 LBFGSLineSearch: 27 00:36:55 504.796770 0.226106 LBFGSLineSearch: 28 00:36:56 504.789864 0.205367 LBFGSLineSearch: 29 00:36:57 504.785997 0.114277 LBFGSLineSearch: 30 00:36:58 504.785160 0.048560 LBFGSLineSearch: 31 00:36:58 504.784993 0.010579 LBFGSLineSearch: 32 00:36:59 504.784977 0.002561 LBFGSLineSearch: 33 00:37:00 504.784976 0.000658 LBFGSLineSearch: 34 00:37:01 504.784976 0.000105 LBFGSLineSearch: 35 00:37:01 504.784976 0.000013 LBFGSLineSearch: 36 00:37:03 504.784976 0.000002 Minimization converged after 36 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:10 560.317827 3.966632 LBFGSLineSearch: 1 00:37:11 559.426898 0.287649 LBFGSLineSearch: 2 00:37:12 559.424237 0.152768 LBFGSLineSearch: 3 00:37:12 559.422741 0.135277 LBFGSLineSearch: 4 00:37:13 559.422349 0.098738 LBFGSLineSearch: 5 00:37:14 559.421845 0.089622 LBFGSLineSearch: 6 00:37:15 559.420648 0.112508 LBFGSLineSearch: 7 00:37:17 559.419899 0.098480 LBFGSLineSearch: 8 00:37:18 559.419048 0.107975 LBFGSLineSearch: 9 00:37:19 559.417839 0.106537 LBFGSLineSearch: 10 00:37:20 559.417309 0.067481 LBFGSLineSearch: 11 00:37:20 559.417008 0.061763 LBFGSLineSearch: 12 00:37:22 559.416054 0.047522 LBFGSLineSearch: 13 00:37:22 559.415290 0.073850 LBFGSLineSearch: 14 00:37:23 559.414305 0.080553 LBFGSLineSearch: 15 00:37:24 559.413090 0.065764 LBFGSLineSearch: 16 00:37:24 559.411715 0.030742 LBFGSLineSearch: 17 00:37:25 559.411557 0.012655 LBFGSLineSearch: 18 00:37:25 559.411542 0.014349 LBFGSLineSearch: 19 00:37:26 559.411524 0.014328 LBFGSLineSearch: 20 00:37:27 559.411465 0.002328 LBFGSLineSearch: 21 00:37:29 559.411463 0.000394 LBFGSLineSearch: 22 00:37:29 559.411463 0.000049 LBFGSLineSearch: 23 00:37:30 559.411463 0.000001 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:38 619.747309 4.309704 LBFGSLineSearch: 1 00:37:39 618.757334 0.331209 LBFGSLineSearch: 2 00:37:39 618.754541 0.170974 LBFGSLineSearch: 3 00:37:40 618.752782 0.206428 LBFGSLineSearch: 4 00:37:41 618.751982 0.133245 LBFGSLineSearch: 5 00:37:43 618.750832 0.118108 LBFGSLineSearch: 6 00:37:43 618.748950 0.131505 LBFGSLineSearch: 7 00:37:43 618.747627 0.146603 LBFGSLineSearch: 8 00:37:43 618.746288 0.153666 LBFGSLineSearch: 9 00:37:44 618.743902 0.186048 LBFGSLineSearch: 10 00:37:44 618.741851 0.129031 LBFGSLineSearch: 11 00:37:45 618.739179 0.205099 LBFGSLineSearch: 12 00:37:45 618.729622 0.153403 LBFGSLineSearch: 13 00:37:45 618.710638 0.628357 LBFGSLineSearch: 14 00:37:46 618.706108 0.935163 LBFGSLineSearch: 15 00:37:46 618.681228 1.346563 LBFGSLineSearch: 16 00:37:46 618.628342 1.606742 LBFGSLineSearch: 17 00:37:47 618.511531 1.563746 LBFGSLineSearch: 18 00:37:47 618.387439 1.018286 LBFGSLineSearch: 19 00:37:48 618.162296 1.211912 LBFGSLineSearch: 20 00:37:48 618.088597 1.385474 LBFGSLineSearch: 21 00:37:48 618.025931 0.432506 LBFGSLineSearch: 22 00:37:49 618.014321 0.208204 LBFGSLineSearch: 23 00:37:49 618.009048 0.162795 LBFGSLineSearch: 24 00:37:50 618.006610 0.141673 LBFGSLineSearch: 25 00:37:51 618.004412 0.129658 LBFGSLineSearch: 26 00:37:54 618.000691 0.193789 LBFGSLineSearch: 27 00:37:58 617.992724 0.223308 LBFGSLineSearch: 28 00:38:00 617.991340 0.054119 LBFGSLineSearch: 29 00:38:02 617.991189 0.009764 LBFGSLineSearch: 30 00:38:04 617.991185 0.002152 LBFGSLineSearch: 31 00:38:04 617.991185 0.000138 LBFGSLineSearch: 32 00:38:04 617.991185 0.000014 LBFGSLineSearch: 33 00:38:04 617.991185 0.000001 Minimization converged after 33 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:12 683.159978 4.654914 LBFGSLineSearch: 1 00:38:13 682.066199 0.340154 LBFGSLineSearch: 2 00:38:14 682.063316 0.331556 LBFGSLineSearch: 3 00:38:15 682.059984 0.136752 LBFGSLineSearch: 4 00:38:15 682.058546 0.161115 LBFGSLineSearch: 5 00:38:16 682.057555 0.131767 LBFGSLineSearch: 6 00:38:17 682.056721 0.090335 LBFGSLineSearch: 7 00:38:17 682.056144 0.087893 LBFGSLineSearch: 8 00:38:18 682.055602 0.079782 LBFGSLineSearch: 9 00:38:19 682.054881 0.074471 LBFGSLineSearch: 10 00:38:20 682.053886 0.060207 LBFGSLineSearch: 11 00:38:22 682.053377 0.055310 LBFGSLineSearch: 12 00:38:23 682.053083 0.066527 LBFGSLineSearch: 13 00:38:24 682.052616 0.053127 LBFGSLineSearch: 14 00:38:26 682.052029 0.012820 LBFGSLineSearch: 15 00:38:27 682.052017 0.002595 LBFGSLineSearch: 16 00:38:28 682.052017 0.002279 LBFGSLineSearch: 17 00:38:29 682.052016 0.003141 LBFGSLineSearch: 18 00:38:31 682.052014 0.000528 LBFGSLineSearch: 19 00:38:31 682.052013 0.000009 Minimization converged after 19 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:40 752.766242 5.051017 LBFGSLineSearch: 1 00:38:41 751.554411 0.382886 LBFGSLineSearch: 2 00:38:42 751.551054 0.376421 LBFGSLineSearch: 3 00:38:43 751.547296 0.140270 LBFGSLineSearch: 4 00:38:44 751.545937 0.165102 LBFGSLineSearch: 5 00:38:44 751.544973 0.153769 LBFGSLineSearch: 6 00:38:45 751.544137 0.093488 LBFGSLineSearch: 7 00:38:46 751.543495 0.095770 LBFGSLineSearch: 8 00:38:47 751.542852 0.118440 LBFGSLineSearch: 9 00:38:48 751.541842 0.102234 LBFGSLineSearch: 10 00:38:48 751.540657 0.068593 LBFGSLineSearch: 11 00:38:49 751.540207 0.060535 LBFGSLineSearch: 12 00:38:50 751.539962 0.064267 LBFGSLineSearch: 13 00:38:50 751.539606 0.055634 LBFGSLineSearch: 14 00:38:52 751.538899 0.025714 LBFGSLineSearch: 15 00:38:54 751.538854 0.007625 LBFGSLineSearch: 16 00:38:54 751.538848 0.005472 LBFGSLineSearch: 17 00:38:54 751.538843 0.005549 LBFGSLineSearch: 18 00:38:55 751.538834 0.005200 LBFGSLineSearch: 19 00:38:55 751.538832 0.001141 LBFGSLineSearch: 20 00:38:56 751.538832 0.000002 Minimization converged after 20 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:06 828.215661 5.476917 LBFGSLineSearch: 1 00:39:07 826.874647 0.432406 LBFGSLineSearch: 2 00:39:08 826.870757 0.424431 LBFGSLineSearch: 3 00:39:09 826.866609 0.141948 LBFGSLineSearch: 4 00:39:10 826.865277 0.165665 LBFGSLineSearch: 5 00:39:10 826.864413 0.190395 LBFGSLineSearch: 6 00:39:11 826.863494 0.094955 LBFGSLineSearch: 7 00:39:12 826.862732 0.098717 LBFGSLineSearch: 8 00:39:12 826.861852 0.154422 LBFGSLineSearch: 9 00:39:13 826.860686 0.174102 LBFGSLineSearch: 10 00:39:14 826.859479 0.083912 LBFGSLineSearch: 11 00:39:15 826.859074 0.063663 LBFGSLineSearch: 12 00:39:16 826.858768 0.061202 LBFGSLineSearch: 13 00:39:17 826.858034 0.044195 LBFGSLineSearch: 14 00:39:17 826.857835 0.016634 LBFGSLineSearch: 15 00:39:17 826.857813 0.008719 LBFGSLineSearch: 16 00:39:18 826.857807 0.009010 LBFGSLineSearch: 17 00:39:18 826.857784 0.003981 LBFGSLineSearch: 18 00:39:19 826.857780 0.000147 LBFGSLineSearch: 19 00:39:19 826.857780 0.000021 LBFGSLineSearch: 20 00:39:20 826.857780 0.000000 Minimization converged after 20 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:29 909.941367 5.934542 LBFGSLineSearch: 1 00:39:30 908.459126 0.488990 LBFGSLineSearch: 2 00:39:30 908.454634 0.475792 LBFGSLineSearch: 3 00:39:31 908.450124 0.143298 LBFGSLineSearch: 4 00:39:31 908.448771 0.163199 LBFGSLineSearch: 5 00:39:32 908.447817 0.137909 LBFGSLineSearch: 6 00:39:33 908.447026 0.105729 LBFGSLineSearch: 7 00:39:34 908.446006 0.098263 LBFGSLineSearch: 8 00:39:34 908.444595 0.157214 LBFGSLineSearch: 9 00:39:34 908.443684 0.296606 LBFGSLineSearch: 10 00:39:35 908.442712 0.105160 LBFGSLineSearch: 11 00:39:35 908.442307 0.060336 LBFGSLineSearch: 12 00:39:36 908.441985 0.056578 LBFGSLineSearch: 13 00:39:36 908.441394 0.048052 LBFGSLineSearch: 14 00:39:37 908.441259 0.014078 LBFGSLineSearch: 15 00:39:37 908.441249 0.010169 LBFGSLineSearch: 16 00:39:37 908.441240 0.013543 LBFGSLineSearch: 17 00:39:38 908.441210 0.001861 LBFGSLineSearch: 18 00:39:39 908.441209 0.000042 LBFGSLineSearch: 19 00:39:40 908.441209 0.000000 Minimization converged after 19 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:48 998.404261 6.425932 LBFGSLineSearch: 1 00:39:49 996.767764 0.552945 LBFGSLineSearch: 2 00:39:50 996.762593 0.530351 LBFGSLineSearch: 3 00:39:50 996.757737 0.145292 LBFGSLineSearch: 4 00:39:51 996.756348 0.160641 LBFGSLineSearch: 5 00:39:53 996.755481 0.127674 LBFGSLineSearch: 6 00:39:54 996.754625 0.117417 LBFGSLineSearch: 7 00:39:55 996.753446 0.130698 LBFGSLineSearch: 8 00:39:56 996.752265 0.203918 LBFGSLineSearch: 9 00:39:57 996.750737 0.143255 LBFGSLineSearch: 10 00:39:58 996.750075 0.067204 LBFGSLineSearch: 11 00:39:59 996.749866 0.059200 LBFGSLineSearch: 12 00:40:00 996.749583 0.066096 LBFGSLineSearch: 13 00:40:02 996.749126 0.052788 LBFGSLineSearch: 14 00:40:03 996.749033 0.012043 LBFGSLineSearch: 15 00:40:04 996.749024 0.009719 LBFGSLineSearch: 16 00:40:04 996.748996 0.004979 LBFGSLineSearch: 17 00:40:05 996.748989 0.000588 LBFGSLineSearch: 18 00:40:05 996.748989 0.000029 LBFGSLineSearch: 19 00:40:06 996.748989 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:12 1094.093950 6.953212 LBFGSLineSearch: 1 00:40:13 1092.614751 2.995618 LBFGSLineSearch: 2 00:40:14 1092.300344 1.724552 LBFGSLineSearch: 3 00:40:15 1092.279839 0.291305 LBFGSLineSearch: 4 00:40:16 1092.276966 0.201160 LBFGSLineSearch: 5 00:40:16 1092.276230 0.149422 LBFGSLineSearch: 6 00:40:17 1092.275311 0.165899 LBFGSLineSearch: 7 00:40:18 1092.274345 0.153974 LBFGSLineSearch: 8 00:40:18 1092.273132 0.178298 LBFGSLineSearch: 9 00:40:19 1092.271261 0.110857 LBFGSLineSearch: 10 00:40:20 1092.270434 0.060942 LBFGSLineSearch: 11 00:40:22 1092.270248 0.061217 LBFGSLineSearch: 12 00:40:24 1092.270103 0.052682 LBFGSLineSearch: 13 00:40:26 1092.269713 0.036256 LBFGSLineSearch: 14 00:40:28 1092.269579 0.019930 LBFGSLineSearch: 15 00:40:30 1092.269565 0.011496 LBFGSLineSearch: 16 00:40:30 1092.269554 0.010895 LBFGSLineSearch: 17 00:40:31 1092.269534 0.001083 LBFGSLineSearch: 18 00:40:31 1092.269533 0.000055 LBFGSLineSearch: 19 00:40:32 1092.269533 0.000002 Minimization converged after 19 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:40 1197.529599 7.518577 LBFGSLineSearch: 1 00:40:41 1195.842861 2.977714 LBFGSLineSearch: 2 00:40:42 1195.560318 2.154003 LBFGSLineSearch: 3 00:40:42 1195.532822 0.388063 LBFGSLineSearch: 4 00:40:42 1195.528571 0.309241 LBFGSLineSearch: 5 00:40:43 1195.527372 0.173243 LBFGSLineSearch: 6 00:40:43 1195.526433 0.179183 LBFGSLineSearch: 7 00:40:44 1195.525659 0.161880 LBFGSLineSearch: 8 00:40:45 1195.524725 0.185023 LBFGSLineSearch: 9 00:40:46 1195.523547 0.154693 LBFGSLineSearch: 10 00:40:48 1195.522120 0.182519 LBFGSLineSearch: 11 00:40:49 1195.521293 0.090602 LBFGSLineSearch: 12 00:40:50 1195.521123 0.045247 LBFGSLineSearch: 13 00:40:51 1195.521000 0.046634 LBFGSLineSearch: 14 00:40:52 1195.520803 0.043664 LBFGSLineSearch: 15 00:40:53 1195.520701 0.011629 LBFGSLineSearch: 16 00:40:54 1195.520688 0.009149 LBFGSLineSearch: 17 00:40:56 1195.520681 0.009274 LBFGSLineSearch: 18 00:40:56 1195.520667 0.003410 LBFGSLineSearch: 19 00:40:57 1195.520666 0.000565 LBFGSLineSearch: 20 00:40:58 1195.520666 0.000202 LBFGSLineSearch: 21 00:40:59 1195.520666 0.000002 Minimization converged after 21 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:07 1309.260620 8.124284 LBFGSLineSearch: 1 00:41:08 1307.343871 2.918659 LBFGSLineSearch: 2 00:41:08 1307.103337 2.692454 LBFGSLineSearch: 3 00:41:09 1307.066918 0.611155 LBFGSLineSearch: 4 00:41:11 1307.058213 0.280384 LBFGSLineSearch: 5 00:41:11 1307.056773 0.163143 LBFGSLineSearch: 6 00:41:12 1307.055906 0.167920 LBFGSLineSearch: 7 00:41:13 1307.055420 0.198026 LBFGSLineSearch: 8 00:41:14 1307.052999 0.226233 LBFGSLineSearch: 9 00:41:15 1307.051871 0.197666 LBFGSLineSearch: 10 00:41:15 1307.051245 0.131492 LBFGSLineSearch: 11 00:41:15 1307.050845 0.047178 LBFGSLineSearch: 12 00:41:16 1307.050744 0.042923 LBFGSLineSearch: 13 00:41:16 1307.050676 0.037112 LBFGSLineSearch: 14 00:41:17 1307.050489 0.046062 LBFGSLineSearch: 15 00:41:17 1307.050433 0.016333 LBFGSLineSearch: 16 00:41:18 1307.050422 0.008798 LBFGSLineSearch: 17 00:41:19 1307.050415 0.010324 LBFGSLineSearch: 18 00:41:19 1307.050407 0.002657 LBFGSLineSearch: 19 00:41:20 1307.050407 0.000258 LBFGSLineSearch: 20 00:41:21 1307.050407 0.000013 LBFGSLineSearch: 21 00:41:22 1307.050407 0.000000 Minimization converged after 21 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:30 1429.867459 8.772647 LBFGSLineSearch: 1 00:41:31 1427.697327 2.810588 LBFGSLineSearch: 2 00:41:31 1427.510440 3.367208 LBFGSLineSearch: 3 00:41:33 1427.463195 0.974418 LBFGSLineSearch: 4 00:41:35 1427.447405 0.435651 LBFGSLineSearch: 5 00:41:37 1427.444595 0.205439 LBFGSLineSearch: 6 00:41:39 1427.443345 0.160797 LBFGSLineSearch: 7 00:41:40 1427.442744 0.183590 LBFGSLineSearch: 8 00:41:40 1427.439988 0.263844 LBFGSLineSearch: 9 00:41:41 1427.438380 0.127007 LBFGSLineSearch: 10 00:41:42 1427.438152 0.068938 LBFGSLineSearch: 11 00:41:43 1427.438036 0.039361 LBFGSLineSearch: 12 00:41:43 1427.437987 0.033869 LBFGSLineSearch: 13 00:41:44 1427.437843 0.030454 LBFGSLineSearch: 14 00:41:45 1427.437771 0.013074 LBFGSLineSearch: 15 00:41:46 1427.437750 0.008743 LBFGSLineSearch: 16 00:41:46 1427.437743 0.005887 LBFGSLineSearch: 17 00:41:46 1427.437739 0.001862 LBFGSLineSearch: 18 00:41:47 1427.437738 0.000200 LBFGSLineSearch: 19 00:41:48 1427.437738 0.000008 Minimization converged after 19 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:56 1559.962307 9.466049 LBFGSLineSearch: 1 00:41:57 1557.514914 2.644719 LBFGSLineSearch: 2 00:41:58 1557.356163 2.566472 LBFGSLineSearch: 3 00:41:58 1557.307521 0.547082 LBFGSLineSearch: 4 00:41:59 1557.301056 0.349971 LBFGSLineSearch: 5 00:42:00 1557.299838 0.186990 LBFGSLineSearch: 6 00:42:00 1557.299311 0.171370 LBFGSLineSearch: 7 00:42:00 1557.297205 0.137315 LBFGSLineSearch: 8 00:42:01 1557.294795 0.328429 LBFGSLineSearch: 9 00:42:02 1557.293883 0.110457 LBFGSLineSearch: 10 00:42:04 1557.293649 0.041944 LBFGSLineSearch: 11 00:42:04 1557.293580 0.034530 LBFGSLineSearch: 12 00:42:05 1557.293540 0.034686 LBFGSLineSearch: 13 00:42:05 1557.293385 0.013203 LBFGSLineSearch: 14 00:42:06 1557.293374 0.007925 LBFGSLineSearch: 15 00:42:06 1557.293370 0.006695 LBFGSLineSearch: 16 00:42:07 1557.293365 0.002260 LBFGSLineSearch: 17 00:42:07 1557.293365 0.000278 LBFGSLineSearch: 18 00:42:08 1557.293365 0.000002 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:17 1700.189962 10.206900 LBFGSLineSearch: 1 00:42:18 1697.441453 2.411279 LBFGSLineSearch: 2 00:42:19 1697.329489 2.494094 LBFGSLineSearch: 3 00:42:19 1697.278743 0.674205 LBFGSLineSearch: 4 00:42:20 1697.269514 0.468851 LBFGSLineSearch: 5 00:42:22 1697.267617 0.206571 LBFGSLineSearch: 6 00:42:22 1697.267068 0.194260 LBFGSLineSearch: 7 00:42:23 1697.265132 0.166261 LBFGSLineSearch: 8 00:42:24 1697.263240 0.462385 LBFGSLineSearch: 9 00:42:26 1697.261245 0.145625 LBFGSLineSearch: 10 00:42:27 1697.260834 0.057598 LBFGSLineSearch: 11 00:42:29 1697.260743 0.038809 LBFGSLineSearch: 12 00:42:30 1697.260712 0.029015 LBFGSLineSearch: 13 00:42:32 1697.260628 0.017854 LBFGSLineSearch: 14 00:42:33 1697.260599 0.005684 LBFGSLineSearch: 15 00:42:34 1697.260597 0.006237 LBFGSLineSearch: 16 00:42:34 1697.260594 0.004831 LBFGSLineSearch: 17 00:42:35 1697.260593 0.000963 LBFGSLineSearch: 18 00:42:36 1697.260593 0.000010 LBFGSLineSearch: 19 00:42:37 1697.260593 0.000000 Minimization converged after 19 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:45 1851.228695 10.997722 LBFGSLineSearch: 1 00:42:45 1848.155941 2.099531 LBFGSLineSearch: 2 00:42:46 1848.083692 2.187560 LBFGSLineSearch: 3 00:42:46 1848.038349 0.737868 LBFGSLineSearch: 4 00:42:47 1848.026786 0.600374 LBFGSLineSearch: 5 00:42:48 1848.023910 0.229988 LBFGSLineSearch: 6 00:42:49 1848.023241 0.220326 LBFGSLineSearch: 7 00:42:50 1848.021364 0.193990 LBFGSLineSearch: 8 00:42:51 1848.019352 0.306281 LBFGSLineSearch: 9 00:42:51 1848.016576 0.138922 LBFGSLineSearch: 10 00:42:52 1848.016123 0.043480 LBFGSLineSearch: 11 00:42:52 1848.016064 0.034449 LBFGSLineSearch: 12 00:42:53 1848.016044 0.021605 LBFGSLineSearch: 13 00:42:54 1848.016008 0.018905 LBFGSLineSearch: 14 00:42:54 1848.015986 0.009100 LBFGSLineSearch: 15 00:42:54 1848.015981 0.004501 LBFGSLineSearch: 16 00:42:55 1848.015980 0.003637 LBFGSLineSearch: 17 00:42:55 1848.015978 0.000122 LBFGSLineSearch: 18 00:42:56 1848.015978 0.000000 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:03 2013.790543 11.841040 LBFGSLineSearch: 1 00:43:03 2010.372042 1.698219 LBFGSLineSearch: 2 00:43:04 2010.327764 1.676129 LBFGSLineSearch: 3 00:43:04 2010.294479 0.681086 LBFGSLineSearch: 4 00:43:05 2010.283030 0.701198 LBFGSLineSearch: 5 00:43:06 2010.279025 0.258329 LBFGSLineSearch: 6 00:43:07 2010.278119 0.249674 LBFGSLineSearch: 7 00:43:08 2010.276286 0.232972 LBFGSLineSearch: 8 00:43:08 2010.274397 0.364281 LBFGSLineSearch: 9 00:43:09 2010.270723 0.200420 LBFGSLineSearch: 10 00:43:09 2010.269856 0.071602 LBFGSLineSearch: 11 00:43:11 2010.269729 0.014646 LBFGSLineSearch: 12 00:43:11 2010.269726 0.011899 LBFGSLineSearch: 13 00:43:12 2010.269719 0.011066 LBFGSLineSearch: 14 00:43:13 2010.269707 0.015449 LBFGSLineSearch: 15 00:43:14 2010.269702 0.005600 LBFGSLineSearch: 16 00:43:15 2010.269701 0.002237 LBFGSLineSearch: 17 00:43:16 2010.269701 0.001705 LBFGSLineSearch: 18 00:43:17 2010.269701 0.000537 LBFGSLineSearch: 19 00:43:18 2010.269701 0.000243 LBFGSLineSearch: 20 00:43:19 2010.269701 0.000000 Minimization converged after 20 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:29 2188.621448 12.739411 LBFGSLineSearch: 1 00:43:30 2184.838465 1.497000 LBFGSLineSearch: 2 00:43:32 2184.809692 1.441164 LBFGSLineSearch: 3 00:43:32 2184.789036 0.620869 LBFGSLineSearch: 4 00:43:33 2184.781536 0.665790 LBFGSLineSearch: 5 00:43:33 2184.777046 0.293294 LBFGSLineSearch: 6 00:43:34 2184.775733 0.284666 LBFGSLineSearch: 7 00:43:34 2184.773983 0.320179 LBFGSLineSearch: 8 00:43:34 2184.771814 0.441928 LBFGSLineSearch: 9 00:43:34 2184.767503 0.249242 LBFGSLineSearch: 10 00:43:35 2184.766109 0.130237 LBFGSLineSearch: 11 00:43:36 2184.765740 0.090771 LBFGSLineSearch: 12 00:43:36 2184.765650 0.028417 LBFGSLineSearch: 13 00:43:37 2184.765633 0.008767 LBFGSLineSearch: 14 00:43:38 2184.765631 0.002894 LBFGSLineSearch: 15 00:43:38 2184.765630 0.003024 LBFGSLineSearch: 16 00:43:39 2184.765630 0.001852 LBFGSLineSearch: 17 00:43:39 2184.765630 0.000410 LBFGSLineSearch: 18 00:43:40 2184.765630 0.000184 LBFGSLineSearch: 19 00:43:40 2184.765630 0.000013 LBFGSLineSearch: 20 00:43:41 2184.765630 0.000000 Minimization converged after 20 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:48 2376.500814 13.695370 Failed to get energy or crystal structure at pressure 8191.999999999995 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:49 -72.908802 0.006248 LBFGSLineSearch: 1 00:43:49 -72.908803 0.005751 LBFGSLineSearch: 2 00:43:50 -72.908804 0.002149 LBFGSLineSearch: 3 00:43:50 -72.908804 0.000800 LBFGSLineSearch: 4 00:43:51 -72.908804 0.000364 LBFGSLineSearch: 5 00:43:52 -72.908804 0.000192 LBFGSLineSearch: 6 00:43:52 -72.908804 0.000257 LBFGSLineSearch: 7 00:43:53 -72.908804 0.000077 LBFGSLineSearch: 8 00:43:53 -72.908804 0.000041 LBFGSLineSearch: 9 00:43:54 -72.908804 0.000026 LBFGSLineSearch: 10 00:43:55 -72.908804 0.000020 LBFGSLineSearch: 11 00:43:56 -72.908804 0.000015 LBFGSLineSearch: 12 00:43:56 -72.908804 0.000018 LBFGSLineSearch: 13 00:43:56 -72.908804 0.000010 Minimization converged after 13 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:04 -73.323443 0.029622 LBFGSLineSearch: 1 00:44:04 -73.323513 0.038166 LBFGSLineSearch: 2 00:44:04 -73.323580 0.041099 LBFGSLineSearch: 3 00:44:05 -73.323638 0.028744 LBFGSLineSearch: 4 00:44:05 -73.323667 0.013783 LBFGSLineSearch: 5 00:44:05 -73.323695 0.023416 LBFGSLineSearch: 6 00:44:06 -73.323740 0.010869 LBFGSLineSearch: 7 00:44:06 -73.323751 0.013148 LBFGSLineSearch: 8 00:44:07 -73.323774 0.005371 LBFGSLineSearch: 9 00:44:08 -73.323790 0.006055 LBFGSLineSearch: 10 00:44:09 -73.323796 0.009209 LBFGSLineSearch: 11 00:44:10 -73.323800 0.001730 LBFGSLineSearch: 12 00:44:10 -73.323801 0.001198 LBFGSLineSearch: 13 00:44:10 -73.323801 0.000915 LBFGSLineSearch: 14 00:44:11 -73.323802 0.000812 LBFGSLineSearch: 15 00:44:12 -73.323802 0.000890 LBFGSLineSearch: 16 00:44:12 -73.323803 0.000381 LBFGSLineSearch: 17 00:44:13 -73.323803 0.000324 LBFGSLineSearch: 18 00:44:13 -73.323803 0.000211 LBFGSLineSearch: 19 00:44:14 -73.323803 0.000112 LBFGSLineSearch: 20 00:44:14 -73.323803 0.000122 LBFGSLineSearch: 21 00:44:15 -73.323803 0.000024 LBFGSLineSearch: 22 00:44:15 -73.323803 0.000004 Minimization converged after 22 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:21 -73.739163 0.029670 LBFGSLineSearch: 1 00:44:22 -73.739233 0.038372 LBFGSLineSearch: 2 00:44:22 -73.739301 0.040509 LBFGSLineSearch: 3 00:44:22 -73.739373 0.015060 LBFGSLineSearch: 4 00:44:23 -73.739389 0.014133 LBFGSLineSearch: 5 00:44:24 -73.739433 0.023057 LBFGSLineSearch: 6 00:44:24 -73.739466 0.009209 LBFGSLineSearch: 7 00:44:25 -73.739490 0.005683 LBFGSLineSearch: 8 00:44:25 -73.739498 0.005531 LBFGSLineSearch: 9 00:44:27 -73.739506 0.007299 LBFGSLineSearch: 10 00:44:27 -73.739519 0.005180 LBFGSLineSearch: 11 00:44:27 -73.739525 0.001697 LBFGSLineSearch: 12 00:44:28 -73.739526 0.001871 LBFGSLineSearch: 13 00:44:28 -73.739526 0.000917 LBFGSLineSearch: 14 00:44:29 -73.739527 0.000990 LBFGSLineSearch: 15 00:44:29 -73.739527 0.000785 LBFGSLineSearch: 16 00:44:29 -73.739527 0.001961 LBFGSLineSearch: 17 00:44:30 -73.739528 0.000437 LBFGSLineSearch: 18 00:44:30 -73.739528 0.000118 LBFGSLineSearch: 19 00:44:31 -73.739528 0.000099 LBFGSLineSearch: 20 00:44:32 -73.739528 0.000037 LBFGSLineSearch: 21 00:44:33 -73.739528 0.000027 LBFGSLineSearch: 22 00:44:33 -73.739528 0.000001 Minimization converged after 22 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:41 -74.155618 0.029722 LBFGSLineSearch: 1 00:44:41 -74.155687 0.038533 LBFGSLineSearch: 2 00:44:42 -74.155757 0.039970 LBFGSLineSearch: 3 00:44:42 -74.155830 0.015384 LBFGSLineSearch: 4 00:44:43 -74.155846 0.014275 LBFGSLineSearch: 5 00:44:43 -74.155894 0.025780 LBFGSLineSearch: 6 00:44:44 -74.155926 0.008980 LBFGSLineSearch: 7 00:44:44 -74.155950 0.005730 LBFGSLineSearch: 8 00:44:45 -74.155958 0.005632 LBFGSLineSearch: 9 00:44:45 -74.155966 0.007752 LBFGSLineSearch: 10 00:44:46 -74.155980 0.005386 LBFGSLineSearch: 11 00:44:46 -74.155985 0.001653 LBFGSLineSearch: 12 00:44:47 -74.155986 0.002127 LBFGSLineSearch: 13 00:44:47 -74.155987 0.000908 LBFGSLineSearch: 14 00:44:48 -74.155987 0.000720 LBFGSLineSearch: 15 00:44:48 -74.155987 0.001102 LBFGSLineSearch: 16 00:44:48 -74.155987 0.000735 LBFGSLineSearch: 17 00:44:49 -74.155988 0.000444 LBFGSLineSearch: 18 00:44:49 -74.155988 0.000471 LBFGSLineSearch: 19 00:44:50 -74.155988 0.000347 LBFGSLineSearch: 20 00:44:50 -74.155988 0.000097 LBFGSLineSearch: 21 00:44:51 -74.155988 0.000099 LBFGSLineSearch: 22 00:44:51 -74.155988 0.000103 LBFGSLineSearch: 23 00:44:52 -74.155988 0.000065 LBFGSLineSearch: 24 00:44:52 -74.155988 0.000044 LBFGSLineSearch: 25 00:44:54 -74.155988 0.000000 Minimization converged after 25 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:02 -74.572819 0.029774 LBFGSLineSearch: 1 00:45:02 -74.572887 0.038713 LBFGSLineSearch: 2 00:45:02 -74.572959 0.039379 LBFGSLineSearch: 3 00:45:03 -74.573032 0.015668 LBFGSLineSearch: 4 00:45:03 -74.573049 0.014430 LBFGSLineSearch: 5 00:45:04 -74.573100 0.028480 LBFGSLineSearch: 6 00:45:04 -74.573132 0.008758 LBFGSLineSearch: 7 00:45:04 -74.573156 0.005748 LBFGSLineSearch: 8 00:45:05 -74.573164 0.005727 LBFGSLineSearch: 9 00:45:05 -74.573172 0.008578 LBFGSLineSearch: 10 00:45:06 -74.573187 0.005660 LBFGSLineSearch: 11 00:45:06 -74.573193 0.001582 LBFGSLineSearch: 12 00:45:07 -74.573193 0.002888 LBFGSLineSearch: 13 00:45:08 -74.573194 0.000651 LBFGSLineSearch: 14 00:45:08 -74.573194 0.000780 LBFGSLineSearch: 15 00:45:08 -74.573194 0.000567 LBFGSLineSearch: 16 00:45:09 -74.573194 0.000788 LBFGSLineSearch: 17 00:45:09 -74.573194 0.000661 LBFGSLineSearch: 18 00:45:10 -74.573195 0.000132 LBFGSLineSearch: 19 00:45:11 -74.573195 0.000086 LBFGSLineSearch: 20 00:45:11 -74.573195 0.000063 LBFGSLineSearch: 21 00:45:12 -74.573195 0.000061 LBFGSLineSearch: 22 00:45:12 -74.573195 0.000073 LBFGSLineSearch: 23 00:45:13 -74.573195 0.000014 LBFGSLineSearch: 24 00:45:15 -74.573195 0.000000 Minimization converged after 24 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:22 -74.990779 0.029827 LBFGSLineSearch: 1 00:45:22 -74.990847 0.038905 LBFGSLineSearch: 2 00:45:22 -74.990920 0.038806 LBFGSLineSearch: 3 00:45:23 -74.990993 0.015909 LBFGSLineSearch: 4 00:45:23 -74.991011 0.014613 LBFGSLineSearch: 5 00:45:24 -74.991065 0.028497 LBFGSLineSearch: 6 00:45:24 -74.991092 0.010852 LBFGSLineSearch: 7 00:45:25 -74.991106 0.007371 LBFGSLineSearch: 8 00:45:25 -74.991120 0.016454 LBFGSLineSearch: 9 00:45:26 -74.991136 0.006188 LBFGSLineSearch: 10 00:45:26 -74.991155 0.006028 LBFGSLineSearch: 11 00:45:28 -74.991161 0.001943 LBFGSLineSearch: 12 00:45:28 -74.991161 0.001311 LBFGSLineSearch: 13 00:45:28 -74.991161 0.001472 LBFGSLineSearch: 14 00:45:29 -74.991162 0.000498 LBFGSLineSearch: 15 00:45:29 -74.991162 0.000386 LBFGSLineSearch: 16 00:45:30 -74.991162 0.000463 LBFGSLineSearch: 17 00:45:30 -74.991162 0.000419 LBFGSLineSearch: 18 00:45:30 -74.991162 0.000509 LBFGSLineSearch: 19 00:45:30 -74.991162 0.000482 LBFGSLineSearch: 20 00:45:32 -74.991162 0.000069 LBFGSLineSearch: 21 00:45:34 -74.991162 0.000093 LBFGSLineSearch: 22 00:45:34 -74.991162 0.000061 LBFGSLineSearch: 23 00:45:35 -74.991162 0.000046 LBFGSLineSearch: 24 00:45:35 -74.991162 0.000072 LBFGSLineSearch: 25 00:45:35 -74.991162 0.000020 LBFGSLineSearch: 26 00:45:36 -74.991162 0.000003 Minimization converged after 26 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:44 -75.409516 0.029885 LBFGSLineSearch: 1 00:45:44 -75.409583 0.039107 LBFGSLineSearch: 2 00:45:45 -75.409658 0.038241 LBFGSLineSearch: 3 00:45:45 -75.409732 0.016402 LBFGSLineSearch: 4 00:45:45 -75.409750 0.014842 LBFGSLineSearch: 5 00:45:46 -75.409807 0.028573 LBFGSLineSearch: 6 00:45:46 -75.409838 0.011271 LBFGSLineSearch: 7 00:45:46 -75.409853 0.007732 LBFGSLineSearch: 8 00:45:47 -75.409867 0.016448 LBFGSLineSearch: 9 00:45:47 -75.409883 0.006306 LBFGSLineSearch: 10 00:45:48 -75.409904 0.006484 LBFGSLineSearch: 11 00:45:49 -75.409909 0.002589 LBFGSLineSearch: 12 00:45:49 -75.409910 0.001208 LBFGSLineSearch: 13 00:45:49 -75.409910 0.000949 LBFGSLineSearch: 14 00:45:50 -75.409911 0.000633 LBFGSLineSearch: 15 00:45:50 -75.409911 0.000266 LBFGSLineSearch: 16 00:45:51 -75.409911 0.000110 LBFGSLineSearch: 17 00:45:52 -75.409911 0.000085 LBFGSLineSearch: 18 00:45:52 -75.409911 0.000064 LBFGSLineSearch: 19 00:45:52 -75.409911 0.000072 LBFGSLineSearch: 20 00:45:54 -75.409911 0.000017 LBFGSLineSearch: 21 00:45:54 -75.409911 0.000014 LBFGSLineSearch: 22 00:45:55 -75.409911 0.000019 LBFGSLineSearch: 23 00:45:55 -75.409911 0.000013 LBFGSLineSearch: 24 00:45:56 -75.409911 0.000000 Minimization converged after 24 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:03 -75.829060 0.029939 LBFGSLineSearch: 1 00:46:05 -75.829127 0.039366 LBFGSLineSearch: 2 00:46:06 -75.829204 0.037357 LBFGSLineSearch: 3 00:46:07 -75.829278 0.017535 LBFGSLineSearch: 4 00:46:08 -75.829297 0.015248 LBFGSLineSearch: 5 00:46:08 -75.829358 0.028675 LBFGSLineSearch: 6 00:46:09 -75.829396 0.012303 LBFGSLineSearch: 7 00:46:09 -75.829414 0.008587 LBFGSLineSearch: 8 00:46:10 -75.829431 0.016159 LBFGSLineSearch: 9 00:46:10 -75.829450 0.006663 LBFGSLineSearch: 10 00:46:11 -75.829472 0.007627 LBFGSLineSearch: 11 00:46:12 -75.829478 0.004140 LBFGSLineSearch: 12 00:46:12 -75.829481 0.001443 LBFGSLineSearch: 13 00:46:13 -75.829481 0.001184 LBFGSLineSearch: 14 00:46:13 -75.829481 0.001011 LBFGSLineSearch: 15 00:46:14 -75.829482 0.001538 LBFGSLineSearch: 16 00:46:15 -75.829483 0.001796 LBFGSLineSearch: 17 00:46:15 -75.829484 0.001127 LBFGSLineSearch: 18 00:46:16 -75.829485 0.001656 LBFGSLineSearch: 19 00:46:16 -75.829485 0.000613 LBFGSLineSearch: 20 00:46:17 -75.829486 0.000056 LBFGSLineSearch: 21 00:46:17 -75.829486 0.000039 LBFGSLineSearch: 22 00:46:18 -75.829486 0.000034 LBFGSLineSearch: 23 00:46:18 -75.829486 0.000033 LBFGSLineSearch: 24 00:46:19 -75.829486 0.000030 LBFGSLineSearch: 25 00:46:19 -75.829486 0.000027 LBFGSLineSearch: 26 00:46:20 -75.829486 0.000013 LBFGSLineSearch: 27 00:46:20 -75.829486 0.000005 Minimization converged after 27 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:27 -76.249535 0.030008 LBFGSLineSearch: 1 00:46:27 -76.249608 0.032784 LBFGSLineSearch: 2 00:46:27 -76.249687 0.043445 LBFGSLineSearch: 3 00:46:28 -76.249767 0.018684 LBFGSLineSearch: 4 00:46:28 -76.249852 0.020978 LBFGSLineSearch: 5 00:46:28 -76.250225 0.076759 LBFGSLineSearch: 6 00:46:29 -76.254557 0.194241 LBFGSLineSearch: 7 00:46:29 -76.254628 0.192994 LBFGSLineSearch: 8 00:46:29 -76.260185 0.143071 LBFGSLineSearch: 9 00:46:29 -76.263910 0.097201 LBFGSLineSearch: 10 00:46:29 -76.264625 0.065629 LBFGSLineSearch: 11 00:46:29 -76.266006 0.171026 LBFGSLineSearch: 12 00:46:30 -76.267316 0.063608 LBFGSLineSearch: 13 00:46:30 -76.268749 0.114330 LBFGSLineSearch: 14 00:46:31 -76.271160 0.048694 LBFGSLineSearch: 15 00:46:31 -76.271580 0.054797 LBFGSLineSearch: 16 00:46:32 -76.272320 0.043442 LBFGSLineSearch: 17 00:46:32 -76.272483 0.045115 LBFGSLineSearch: 18 00:46:33 -76.273001 0.033769 LBFGSLineSearch: 19 00:46:33 -76.273298 0.044833 LBFGSLineSearch: 20 00:46:34 -76.274101 0.028574 LBFGSLineSearch: 21 00:46:34 -76.274401 0.028613 LBFGSLineSearch: 22 00:46:35 -76.274515 0.018020 LBFGSLineSearch: 23 00:46:36 -76.274594 0.009441 LBFGSLineSearch: 24 00:46:37 -76.274617 0.006226 LBFGSLineSearch: 25 00:46:39 -76.274622 0.004076 LBFGSLineSearch: 26 00:46:40 -76.274628 0.004739 LBFGSLineSearch: 27 00:46:41 -76.274637 0.002310 LBFGSLineSearch: 28 00:46:43 -76.274639 0.002062 LBFGSLineSearch: 29 00:46:44 -76.274640 0.001056 LBFGSLineSearch: 30 00:46:44 -76.274641 0.000638 LBFGSLineSearch: 31 00:46:45 -76.274641 0.000671 LBFGSLineSearch: 32 00:46:46 -76.274641 0.000636 LBFGSLineSearch: 33 00:46:46 -76.274641 0.000298 LBFGSLineSearch: 34 00:46:46 -76.274641 0.000033 LBFGSLineSearch: 35 00:46:47 -76.274641 0.000001 Minimization converged after 35 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:55 -76.701327 0.030478 LBFGSLineSearch: 1 00:46:55 -76.701404 0.049056 LBFGSLineSearch: 2 00:46:55 -76.701485 0.062301 LBFGSLineSearch: 3 00:46:56 -76.701581 0.016709 LBFGSLineSearch: 4 00:46:56 -76.701619 0.019364 LBFGSLineSearch: 5 00:46:57 -76.701728 0.013651 LBFGSLineSearch: 6 00:46:57 -76.701771 0.016865 LBFGSLineSearch: 7 00:46:57 -76.701811 0.006790 LBFGSLineSearch: 8 00:46:58 -76.701819 0.007376 LBFGSLineSearch: 9 00:46:59 -76.701836 0.007001 LBFGSLineSearch: 10 00:46:59 -76.701843 0.006224 LBFGSLineSearch: 11 00:47:00 -76.701866 0.003384 LBFGSLineSearch: 12 00:47:00 -76.701869 0.002499 LBFGSLineSearch: 13 00:47:00 -76.701870 0.001523 LBFGSLineSearch: 14 00:47:01 -76.701871 0.001237 LBFGSLineSearch: 15 00:47:02 -76.701871 0.001167 LBFGSLineSearch: 16 00:47:02 -76.701872 0.001302 LBFGSLineSearch: 17 00:47:03 -76.701872 0.000968 LBFGSLineSearch: 18 00:47:04 -76.701872 0.000347 LBFGSLineSearch: 19 00:47:04 -76.701872 0.000230 LBFGSLineSearch: 20 00:47:05 -76.701872 0.000167 LBFGSLineSearch: 21 00:47:05 -76.701872 0.000197 LBFGSLineSearch: 22 00:47:06 -76.701872 0.000031 LBFGSLineSearch: 23 00:47:06 -76.701872 0.000001 Minimization converged after 23 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:14 -77.129643 0.030555 LBFGSLineSearch: 1 00:47:14 -77.129719 0.049384 LBFGSLineSearch: 2 00:47:14 -77.129800 0.064216 LBFGSLineSearch: 3 00:47:15 -77.129898 0.017261 LBFGSLineSearch: 4 00:47:15 -77.129934 0.018752 LBFGSLineSearch: 5 00:47:15 -77.130041 0.011737 LBFGSLineSearch: 6 00:47:16 -77.130079 0.015310 LBFGSLineSearch: 7 00:47:16 -77.130120 0.007093 LBFGSLineSearch: 8 00:47:16 -77.130127 0.006525 LBFGSLineSearch: 9 00:47:16 -77.130142 0.006586 LBFGSLineSearch: 10 00:47:16 -77.130147 0.005160 LBFGSLineSearch: 11 00:47:17 -77.130166 0.002351 LBFGSLineSearch: 12 00:47:17 -77.130169 0.002822 LBFGSLineSearch: 13 00:47:18 -77.130170 0.001887 LBFGSLineSearch: 14 00:47:19 -77.130171 0.001281 LBFGSLineSearch: 15 00:47:19 -77.130171 0.001107 LBFGSLineSearch: 16 00:47:20 -77.130171 0.000980 LBFGSLineSearch: 17 00:47:21 -77.130172 0.001170 LBFGSLineSearch: 18 00:47:21 -77.130172 0.000805 LBFGSLineSearch: 19 00:47:22 -77.130172 0.000257 LBFGSLineSearch: 20 00:47:22 -77.130172 0.000185 LBFGSLineSearch: 21 00:47:23 -77.130172 0.000164 LBFGSLineSearch: 22 00:47:24 -77.130172 0.000155 LBFGSLineSearch: 23 00:47:24 -77.130172 0.000005 Minimization converged after 23 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:32 -77.558997 0.030630 LBFGSLineSearch: 1 00:47:33 -77.559072 0.049696 LBFGSLineSearch: 2 00:47:35 -77.559152 0.066081 LBFGSLineSearch: 3 00:47:36 -77.559253 0.017859 LBFGSLineSearch: 4 00:47:36 -77.559287 0.018190 LBFGSLineSearch: 5 00:47:37 -77.559392 0.010366 LBFGSLineSearch: 6 00:47:37 -77.559426 0.013806 LBFGSLineSearch: 7 00:47:38 -77.559469 0.007230 LBFGSLineSearch: 8 00:47:38 -77.559476 0.005651 LBFGSLineSearch: 9 00:47:39 -77.559489 0.006297 LBFGSLineSearch: 10 00:47:40 -77.559501 0.009005 LBFGSLineSearch: 11 00:47:42 -77.559510 0.003707 LBFGSLineSearch: 12 00:47:43 -77.559513 0.001537 LBFGSLineSearch: 13 00:47:43 -77.559513 0.001039 LBFGSLineSearch: 14 00:47:44 -77.559513 0.001125 LBFGSLineSearch: 15 00:47:45 -77.559514 0.001024 LBFGSLineSearch: 16 00:47:45 -77.559514 0.000627 LBFGSLineSearch: 17 00:47:46 -77.559514 0.000274 LBFGSLineSearch: 18 00:47:46 -77.559514 0.000154 LBFGSLineSearch: 19 00:47:47 -77.559514 0.000190 LBFGSLineSearch: 20 00:47:49 -77.559514 0.000299 LBFGSLineSearch: 21 00:47:50 -77.559514 0.000135 LBFGSLineSearch: 22 00:47:50 -77.559514 0.000126 LBFGSLineSearch: 23 00:47:51 -77.559514 0.000162 LBFGSLineSearch: 24 00:47:51 -77.559514 0.000032 LBFGSLineSearch: 25 00:47:52 -77.559514 0.000000 Minimization converged after 25 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:01 -77.989370 0.030704 LBFGSLineSearch: 1 00:48:03 -77.989443 0.049995 LBFGSLineSearch: 2 00:48:04 -77.989523 0.067883 LBFGSLineSearch: 3 00:48:04 -77.989626 0.018445 LBFGSLineSearch: 4 00:48:06 -77.989659 0.017710 LBFGSLineSearch: 5 00:48:07 -77.989762 0.010359 LBFGSLineSearch: 6 00:48:08 -77.989794 0.012684 LBFGSLineSearch: 7 00:48:08 -77.989838 0.007108 LBFGSLineSearch: 8 00:48:09 -77.989846 0.005257 LBFGSLineSearch: 9 00:48:09 -77.989855 0.006075 LBFGSLineSearch: 10 00:48:10 -77.989868 0.007466 LBFGSLineSearch: 11 00:48:10 -77.989873 0.002984 LBFGSLineSearch: 12 00:48:11 -77.989875 0.002864 LBFGSLineSearch: 13 00:48:11 -77.989876 0.002643 LBFGSLineSearch: 14 00:48:12 -77.989877 0.000885 LBFGSLineSearch: 15 00:48:13 -77.989877 0.000873 LBFGSLineSearch: 16 00:48:14 -77.989877 0.000858 LBFGSLineSearch: 17 00:48:14 -77.989877 0.000817 LBFGSLineSearch: 18 00:48:15 -77.989878 0.000709 LBFGSLineSearch: 19 00:48:16 -77.989878 0.000150 LBFGSLineSearch: 20 00:48:16 -77.989878 0.000136 LBFGSLineSearch: 21 00:48:17 -77.989878 0.000152 LBFGSLineSearch: 22 00:48:17 -77.989878 0.000081 LBFGSLineSearch: 23 00:48:18 -77.989878 0.000013 LBFGSLineSearch: 24 00:48:18 -77.989878 0.000000 Minimization converged after 24 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:26 -78.420747 0.030776 LBFGSLineSearch: 1 00:48:26 -78.420819 0.050282 LBFGSLineSearch: 2 00:48:27 -78.420899 0.069668 LBFGSLineSearch: 3 00:48:27 -78.421004 0.019081 LBFGSLineSearch: 4 00:48:28 -78.421036 0.017251 LBFGSLineSearch: 5 00:48:28 -78.421136 0.010348 LBFGSLineSearch: 6 00:48:28 -78.421162 0.009426 LBFGSLineSearch: 7 00:48:29 -78.421194 0.009218 LBFGSLineSearch: 8 00:48:30 -78.421215 0.006172 LBFGSLineSearch: 9 00:48:32 -78.421227 0.004205 LBFGSLineSearch: 10 00:48:33 -78.421231 0.007294 LBFGSLineSearch: 11 00:48:35 -78.421244 0.002789 LBFGSLineSearch: 12 00:48:37 -78.421245 0.002558 LBFGSLineSearch: 13 00:48:37 -78.421246 0.001688 LBFGSLineSearch: 14 00:48:38 -78.421246 0.000900 LBFGSLineSearch: 15 00:48:39 -78.421247 0.000979 LBFGSLineSearch: 16 00:48:39 -78.421247 0.001082 LBFGSLineSearch: 17 00:48:40 -78.421247 0.000714 LBFGSLineSearch: 18 00:48:40 -78.421247 0.000503 LBFGSLineSearch: 19 00:48:40 -78.421247 0.000625 LBFGSLineSearch: 20 00:48:41 -78.421247 0.000363 LBFGSLineSearch: 21 00:48:41 -78.421247 0.000118 LBFGSLineSearch: 22 00:48:42 -78.421247 0.000207 LBFGSLineSearch: 23 00:48:43 -78.421247 0.000050 LBFGSLineSearch: 24 00:48:43 -78.421247 0.000032 LBFGSLineSearch: 25 00:48:45 -78.421247 0.000003 Minimization converged after 25 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:52 -78.853116 0.030848 LBFGSLineSearch: 1 00:48:53 -78.853187 0.050566 LBFGSLineSearch: 2 00:48:53 -78.853267 0.071448 LBFGSLineSearch: 3 00:48:54 -78.853374 0.019759 LBFGSLineSearch: 4 00:48:55 -78.853405 0.016821 LBFGSLineSearch: 5 00:48:57 -78.853503 0.010299 LBFGSLineSearch: 6 00:48:58 -78.853530 0.009423 LBFGSLineSearch: 7 00:48:59 -78.853560 0.008557 LBFGSLineSearch: 8 00:48:59 -78.853582 0.006025 LBFGSLineSearch: 9 00:49:00 -78.853593 0.004194 LBFGSLineSearch: 10 00:49:01 -78.853597 0.007134 LBFGSLineSearch: 11 00:49:01 -78.853608 0.002859 LBFGSLineSearch: 12 00:49:02 -78.853610 0.002362 LBFGSLineSearch: 13 00:49:03 -78.853611 0.001012 LBFGSLineSearch: 14 00:49:03 -78.853611 0.000821 LBFGSLineSearch: 15 00:49:03 -78.853611 0.000789 LBFGSLineSearch: 16 00:49:04 -78.853611 0.000794 LBFGSLineSearch: 17 00:49:05 -78.853611 0.000627 LBFGSLineSearch: 18 00:49:07 -78.853611 0.000115 LBFGSLineSearch: 19 00:49:09 -78.853611 0.000108 LBFGSLineSearch: 20 00:49:10 -78.853611 0.000110 LBFGSLineSearch: 21 00:49:10 -78.853611 0.000013 LBFGSLineSearch: 22 00:49:11 -78.853611 0.000002 Minimization converged after 22 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:18 -79.286469 0.030919 LBFGSLineSearch: 1 00:49:18 -79.286540 0.050827 LBFGSLineSearch: 2 00:49:18 -79.286619 0.073197 LBFGSLineSearch: 3 00:49:19 -79.286729 0.020456 LBFGSLineSearch: 4 00:49:19 -79.286759 0.016437 LBFGSLineSearch: 5 00:49:20 -79.286855 0.010199 LBFGSLineSearch: 6 00:49:21 -79.286882 0.009354 LBFGSLineSearch: 7 00:49:21 -79.286911 0.009225 LBFGSLineSearch: 8 00:49:22 -79.286933 0.005900 LBFGSLineSearch: 9 00:49:22 -79.286944 0.004127 LBFGSLineSearch: 10 00:49:23 -79.286947 0.007042 LBFGSLineSearch: 11 00:49:24 -79.286958 0.002821 LBFGSLineSearch: 12 00:49:25 -79.286959 0.002190 LBFGSLineSearch: 13 00:49:27 -79.286960 0.000953 LBFGSLineSearch: 14 00:49:27 -79.286960 0.000718 LBFGSLineSearch: 15 00:49:27 -79.286960 0.000753 LBFGSLineSearch: 16 00:49:28 -79.286960 0.000566 LBFGSLineSearch: 17 00:49:28 -79.286961 0.000445 LBFGSLineSearch: 18 00:49:29 -79.286961 0.000143 LBFGSLineSearch: 19 00:49:29 -79.286961 0.000089 LBFGSLineSearch: 20 00:49:31 -79.286961 0.000099 LBFGSLineSearch: 21 00:49:31 -79.286961 0.000039 LBFGSLineSearch: 22 00:49:32 -79.286961 0.000040 LBFGSLineSearch: 23 00:49:34 -79.286961 0.000019 LBFGSLineSearch: 24 00:49:35 -79.286961 0.000000 Minimization converged after 24 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:41 -79.720800 0.030989 LBFGSLineSearch: 1 00:49:42 -79.720869 0.051089 LBFGSLineSearch: 2 00:49:42 -79.720948 0.074949 LBFGSLineSearch: 3 00:49:43 -79.721060 0.021188 LBFGSLineSearch: 4 00:49:44 -79.721091 0.016086 LBFGSLineSearch: 5 00:49:45 -79.721183 0.010048 LBFGSLineSearch: 6 00:49:45 -79.721212 0.009242 LBFGSLineSearch: 7 00:49:47 -79.721240 0.010021 LBFGSLineSearch: 8 00:49:48 -79.721262 0.005789 LBFGSLineSearch: 9 00:49:48 -79.721272 0.004060 LBFGSLineSearch: 10 00:49:49 -79.721275 0.006585 LBFGSLineSearch: 11 00:49:51 -79.721285 0.002729 LBFGSLineSearch: 12 00:49:51 -79.721286 0.002419 LBFGSLineSearch: 13 00:49:52 -79.721287 0.000882 LBFGSLineSearch: 14 00:49:53 -79.721287 0.000590 LBFGSLineSearch: 15 00:49:56 -79.721287 0.000819 LBFGSLineSearch: 16 00:49:59 -79.721288 0.000378 LBFGSLineSearch: 17 00:50:00 -79.721288 0.000399 LBFGSLineSearch: 18 00:50:00 -79.721288 0.000258 LBFGSLineSearch: 19 00:50:01 -79.721288 0.000159 LBFGSLineSearch: 20 00:50:01 -79.721288 0.000079 LBFGSLineSearch: 21 00:50:01 -79.721288 0.000111 LBFGSLineSearch: 22 00:50:02 -79.721288 0.000070 LBFGSLineSearch: 23 00:50:02 -79.721288 0.000010 Minimization converged after 23 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:08 -80.156102 0.031062 LBFGSLineSearch: 1 00:50:09 -80.156170 0.051339 LBFGSLineSearch: 2 00:50:09 -80.156250 0.076694 LBFGSLineSearch: 3 00:50:10 -80.156363 0.021942 LBFGSLineSearch: 4 00:50:10 -80.156394 0.015771 LBFGSLineSearch: 5 00:50:10 -80.156484 0.009851 LBFGSLineSearch: 6 00:50:11 -80.156514 0.009115 LBFGSLineSearch: 7 00:50:12 -80.156542 0.010614 LBFGSLineSearch: 8 00:50:12 -80.156563 0.005682 LBFGSLineSearch: 9 00:50:13 -80.156573 0.004049 LBFGSLineSearch: 10 00:50:14 -80.156576 0.005377 LBFGSLineSearch: 11 00:50:14 -80.156585 0.002664 LBFGSLineSearch: 12 00:50:15 -80.156586 0.002306 LBFGSLineSearch: 13 00:50:15 -80.156587 0.001473 LBFGSLineSearch: 14 00:50:16 -80.156587 0.000767 LBFGSLineSearch: 15 00:50:16 -80.156587 0.000669 LBFGSLineSearch: 16 00:50:17 -80.156587 0.000665 LBFGSLineSearch: 17 00:50:17 -80.156588 0.000204 LBFGSLineSearch: 18 00:50:17 -80.156588 0.000242 LBFGSLineSearch: 19 00:50:18 -80.156588 0.000181 LBFGSLineSearch: 20 00:50:18 -80.156588 0.000119 LBFGSLineSearch: 21 00:50:19 -80.156588 0.000078 LBFGSLineSearch: 22 00:50:19 -80.156588 0.000086 LBFGSLineSearch: 23 00:50:19 -80.156588 0.000021 LBFGSLineSearch: 24 00:50:20 -80.156588 0.000000 Minimization converged after 24 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:27 -80.592373 0.031128 LBFGSLineSearch: 1 00:50:27 -80.592440 0.051593 LBFGSLineSearch: 2 00:50:28 -80.592519 0.078461 LBFGSLineSearch: 3 00:50:28 -80.592635 0.022747 LBFGSLineSearch: 4 00:50:29 -80.592666 0.015482 LBFGSLineSearch: 5 00:50:31 -80.592753 0.010600 LBFGSLineSearch: 6 00:50:32 -80.592784 0.009008 LBFGSLineSearch: 7 00:50:33 -80.592812 0.011127 LBFGSLineSearch: 8 00:50:34 -80.592833 0.005582 LBFGSLineSearch: 9 00:50:34 -80.592843 0.004070 LBFGSLineSearch: 10 00:50:34 -80.592845 0.004957 LBFGSLineSearch: 11 00:50:35 -80.592853 0.002513 LBFGSLineSearch: 12 00:50:35 -80.592855 0.002270 LBFGSLineSearch: 13 00:50:35 -80.592856 0.001370 LBFGSLineSearch: 14 00:50:37 -80.592856 0.000768 LBFGSLineSearch: 15 00:50:38 -80.592856 0.000692 LBFGSLineSearch: 16 00:50:38 -80.592856 0.000683 LBFGSLineSearch: 17 00:50:39 -80.592857 0.000542 LBFGSLineSearch: 18 00:50:40 -80.592857 0.000175 LBFGSLineSearch: 19 00:50:40 -80.592857 0.000144 LBFGSLineSearch: 20 00:50:41 -80.592857 0.000076 LBFGSLineSearch: 21 00:50:41 -80.592857 0.000275 LBFGSLineSearch: 22 00:50:41 -80.592857 0.000102 LBFGSLineSearch: 23 00:50:42 -80.592857 0.000059 LBFGSLineSearch: 24 00:50:42 -80.592857 0.000000 Minimization converged after 24 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:50 -81.029609 0.031197 LBFGSLineSearch: 1 00:50:51 -81.029676 0.051837 LBFGSLineSearch: 2 00:50:51 -81.029755 0.080226 LBFGSLineSearch: 3 00:50:51 -81.029873 0.023568 LBFGSLineSearch: 4 00:50:51 -81.029898 0.012337 LBFGSLineSearch: 5 00:50:52 -81.029943 0.024919 LBFGSLineSearch: 6 00:50:52 -81.030024 0.010340 LBFGSLineSearch: 7 00:50:53 -81.030060 0.011738 LBFGSLineSearch: 8 00:50:53 -81.030069 0.004920 LBFGSLineSearch: 9 00:50:54 -81.030073 0.007263 LBFGSLineSearch: 10 00:50:55 -81.030081 0.004096 LBFGSLineSearch: 11 00:50:58 -81.030090 0.003414 LBFGSLineSearch: 12 00:50:59 -81.030091 0.002254 LBFGSLineSearch: 13 00:51:00 -81.030091 0.001772 LBFGSLineSearch: 14 00:51:00 -81.030092 0.000993 LBFGSLineSearch: 15 00:51:01 -81.030092 0.000661 LBFGSLineSearch: 16 00:51:01 -81.030092 0.000649 LBFGSLineSearch: 17 00:51:02 -81.030092 0.000495 LBFGSLineSearch: 18 00:51:03 -81.030092 0.000472 LBFGSLineSearch: 19 00:51:03 -81.030092 0.000163 LBFGSLineSearch: 20 00:51:03 -81.030092 0.000099 LBFGSLineSearch: 21 00:51:04 -81.030092 0.000068 LBFGSLineSearch: 22 00:51:04 -81.030092 0.000096 LBFGSLineSearch: 23 00:51:05 -81.030092 0.000055 LBFGSLineSearch: 24 00:51:05 -81.030092 0.000003 Minimization converged after 24 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:14 -81.467811 0.031266 LBFGSLineSearch: 1 00:51:15 -81.467876 0.052076 LBFGSLineSearch: 2 00:51:15 -81.467955 0.082000 LBFGSLineSearch: 3 00:51:16 -81.468075 0.024414 LBFGSLineSearch: 4 00:51:16 -81.468102 0.012416 LBFGSLineSearch: 5 00:51:18 -81.468146 0.024546 LBFGSLineSearch: 6 00:51:20 -81.468226 0.011219 LBFGSLineSearch: 7 00:51:21 -81.468257 0.014627 LBFGSLineSearch: 8 00:51:21 -81.468270 0.004928 LBFGSLineSearch: 9 00:51:22 -81.468273 0.005390 LBFGSLineSearch: 10 00:51:23 -81.468277 0.006653 LBFGSLineSearch: 11 00:51:23 -81.468283 0.003785 LBFGSLineSearch: 12 00:51:24 -81.468292 0.002254 LBFGSLineSearch: 13 00:51:24 -81.468292 0.001735 LBFGSLineSearch: 14 00:51:25 -81.468293 0.000599 LBFGSLineSearch: 15 00:51:25 -81.468293 0.000630 LBFGSLineSearch: 16 00:51:27 -81.468293 0.000899 LBFGSLineSearch: 17 00:51:27 -81.468293 0.000302 LBFGSLineSearch: 18 00:51:28 -81.468293 0.000182 LBFGSLineSearch: 19 00:51:28 -81.468293 0.000292 LBFGSLineSearch: 20 00:51:29 -81.468293 0.000099 LBFGSLineSearch: 21 00:51:30 -81.468293 0.000064 LBFGSLineSearch: 22 00:51:31 -81.468293 0.000072 LBFGSLineSearch: 23 00:51:31 -81.468293 0.000013 LBFGSLineSearch: 24 00:51:32 -81.468293 0.000000 Minimization converged after 24 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:39 -81.906976 0.031335 LBFGSLineSearch: 1 00:51:41 -81.907041 0.052311 LBFGSLineSearch: 2 00:51:43 -81.907120 0.083788 LBFGSLineSearch: 3 00:51:45 -81.907242 0.025281 LBFGSLineSearch: 4 00:51:45 -81.907270 0.012493 LBFGSLineSearch: 5 00:51:47 -81.907313 0.024112 LBFGSLineSearch: 6 00:51:49 -81.907392 0.012197 LBFGSLineSearch: 7 00:51:50 -81.907418 0.015857 LBFGSLineSearch: 8 00:51:50 -81.907434 0.006625 LBFGSLineSearch: 9 00:51:50 -81.907439 0.005234 LBFGSLineSearch: 10 00:51:51 -81.907443 0.006147 LBFGSLineSearch: 11 00:51:52 -81.907449 0.003817 LBFGSLineSearch: 12 00:51:54 -81.907457 0.002325 LBFGSLineSearch: 13 00:51:55 -81.907458 0.002247 LBFGSLineSearch: 14 00:51:55 -81.907458 0.000589 LBFGSLineSearch: 15 00:51:57 -81.907458 0.000474 LBFGSLineSearch: 16 00:51:57 -81.907459 0.000837 LBFGSLineSearch: 17 00:51:58 -81.907459 0.000250 LBFGSLineSearch: 18 00:51:58 -81.907459 0.000227 LBFGSLineSearch: 19 00:51:59 -81.907459 0.000305 LBFGSLineSearch: 20 00:51:59 -81.907459 0.000135 LBFGSLineSearch: 21 00:52:00 -81.907459 0.000075 LBFGSLineSearch: 22 00:52:00 -81.907459 0.000060 LBFGSLineSearch: 23 00:52:01 -81.907459 0.000082 LBFGSLineSearch: 24 00:52:02 -81.907459 0.000024 LBFGSLineSearch: 25 00:52:03 -81.907459 0.000000 Minimization converged after 25 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:10 -82.347107 0.031403 LBFGSLineSearch: 1 00:52:11 -82.347170 0.052543 LBFGSLineSearch: 2 00:52:11 -82.347249 0.085591 LBFGSLineSearch: 3 00:52:11 -82.347373 0.026172 LBFGSLineSearch: 4 00:52:11 -82.347402 0.012571 LBFGSLineSearch: 5 00:52:12 -82.347445 0.023618 LBFGSLineSearch: 6 00:52:12 -82.347523 0.013239 LBFGSLineSearch: 7 00:52:12 -82.347545 0.015706 LBFGSLineSearch: 8 00:52:13 -82.347568 0.004777 LBFGSLineSearch: 9 00:52:14 -82.347575 0.006696 LBFGSLineSearch: 10 00:52:15 -82.347579 0.005181 LBFGSLineSearch: 11 00:52:15 -82.347581 0.004433 LBFGSLineSearch: 12 00:52:16 -82.347587 0.002266 LBFGSLineSearch: 13 00:52:17 -82.347588 0.001838 LBFGSLineSearch: 14 00:52:17 -82.347589 0.001689 LBFGSLineSearch: 15 00:52:18 -82.347589 0.000531 LBFGSLineSearch: 16 00:52:19 -82.347589 0.000552 LBFGSLineSearch: 17 00:52:19 -82.347589 0.000720 LBFGSLineSearch: 18 00:52:19 -82.347589 0.000304 LBFGSLineSearch: 19 00:52:21 -82.347589 0.000238 LBFGSLineSearch: 20 00:52:21 -82.347589 0.000051 LBFGSLineSearch: 21 00:52:22 -82.347589 0.000058 LBFGSLineSearch: 22 00:52:22 -82.347589 0.000056 LBFGSLineSearch: 23 00:52:22 -82.347589 0.000066 LBFGSLineSearch: 24 00:52:23 -82.347589 0.000070 LBFGSLineSearch: 25 00:52:23 -82.347589 0.000039 LBFGSLineSearch: 26 00:52:24 -82.347589 0.000002 Minimization converged after 26 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:32 -82.788203 0.031474 LBFGSLineSearch: 1 00:52:33 -82.788266 0.052767 LBFGSLineSearch: 2 00:52:33 -82.788345 0.087403 LBFGSLineSearch: 3 00:52:34 -82.788471 0.027063 LBFGSLineSearch: 4 00:52:35 -82.788501 0.012648 LBFGSLineSearch: 5 00:52:37 -82.788544 0.023066 LBFGSLineSearch: 6 00:52:38 -82.788620 0.014302 LBFGSLineSearch: 7 00:52:39 -82.788639 0.014779 LBFGSLineSearch: 8 00:52:39 -82.788666 0.004682 LBFGSLineSearch: 9 00:52:40 -82.788672 0.006680 LBFGSLineSearch: 10 00:52:40 -82.788676 0.005195 LBFGSLineSearch: 11 00:52:41 -82.788678 0.004509 LBFGSLineSearch: 12 00:52:41 -82.788684 0.002448 LBFGSLineSearch: 13 00:52:42 -82.788685 0.001813 LBFGSLineSearch: 14 00:52:42 -82.788686 0.001716 LBFGSLineSearch: 15 00:52:43 -82.788686 0.000508 LBFGSLineSearch: 16 00:52:43 -82.788686 0.000564 LBFGSLineSearch: 17 00:52:43 -82.788686 0.000647 LBFGSLineSearch: 18 00:52:44 -82.788687 0.000347 LBFGSLineSearch: 19 00:52:44 -82.788687 0.000273 LBFGSLineSearch: 20 00:52:45 -82.788687 0.000078 LBFGSLineSearch: 21 00:52:45 -82.788687 0.000048 LBFGSLineSearch: 22 00:52:45 -82.788687 0.000054 LBFGSLineSearch: 23 00:52:46 -82.788687 0.000066 LBFGSLineSearch: 24 00:52:47 -82.788687 0.000037 LBFGSLineSearch: 25 00:52:48 -82.788687 0.000000 Minimization converged after 25 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:55 -83.230268 0.031542 LBFGSLineSearch: 1 00:52:55 -83.230329 0.052996 LBFGSLineSearch: 2 00:52:56 -83.230409 0.089247 LBFGSLineSearch: 3 00:52:56 -83.230536 0.027995 LBFGSLineSearch: 4 00:52:57 -83.230569 0.012725 LBFGSLineSearch: 5 00:52:58 -83.230611 0.022821 LBFGSLineSearch: 6 00:52:58 -83.230685 0.015353 LBFGSLineSearch: 7 00:52:58 -83.230700 0.007703 LBFGSLineSearch: 8 00:52:59 -83.230724 0.011932 LBFGSLineSearch: 9 00:52:59 -83.230734 0.005146 LBFGSLineSearch: 10 00:52:59 -83.230743 0.004290 LBFGSLineSearch: 11 00:53:00 -83.230746 0.005839 LBFGSLineSearch: 12 00:53:00 -83.230751 0.003711 LBFGSLineSearch: 13 00:53:00 -83.230751 0.002240 LBFGSLineSearch: 14 00:53:01 -83.230752 0.000502 LBFGSLineSearch: 15 00:53:01 -83.230752 0.000525 LBFGSLineSearch: 16 00:53:02 -83.230752 0.001227 LBFGSLineSearch: 17 00:53:02 -83.230752 0.000388 LBFGSLineSearch: 18 00:53:02 -83.230752 0.000618 LBFGSLineSearch: 19 00:53:03 -83.230752 0.000123 LBFGSLineSearch: 20 00:53:03 -83.230752 0.000043 LBFGSLineSearch: 21 00:53:04 -83.230752 0.000059 LBFGSLineSearch: 22 00:53:04 -83.230752 0.000057 LBFGSLineSearch: 23 00:53:04 -83.230752 0.000029 LBFGSLineSearch: 24 00:53:05 -83.230752 0.000000 Minimization converged after 24 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:12 -83.673303 0.031611 LBFGSLineSearch: 1 00:53:12 -83.673364 0.053218 LBFGSLineSearch: 2 00:53:13 -83.673443 0.091104 LBFGSLineSearch: 3 00:53:13 -83.673573 0.028924 LBFGSLineSearch: 4 00:53:14 -83.673607 0.012803 LBFGSLineSearch: 5 00:53:14 -83.673649 0.023192 LBFGSLineSearch: 6 00:53:14 -83.673721 0.016356 LBFGSLineSearch: 7 00:53:15 -83.673737 0.007681 LBFGSLineSearch: 8 00:53:15 -83.673761 0.012161 LBFGSLineSearch: 9 00:53:16 -83.673769 0.005980 LBFGSLineSearch: 10 00:53:16 -83.673773 0.004835 LBFGSLineSearch: 11 00:53:17 -83.673776 0.006328 LBFGSLineSearch: 12 00:53:17 -83.673782 0.003471 LBFGSLineSearch: 13 00:53:17 -83.673788 0.002066 LBFGSLineSearch: 14 00:53:19 -83.673789 0.002421 LBFGSLineSearch: 15 00:53:19 -83.673789 0.000520 LBFGSLineSearch: 16 00:53:20 -83.673789 0.000352 LBFGSLineSearch: 17 00:53:20 -83.673789 0.000874 LBFGSLineSearch: 18 00:53:22 -83.673789 0.000368 LBFGSLineSearch: 19 00:53:22 -83.673790 0.000258 LBFGSLineSearch: 20 00:53:22 -83.673790 0.000047 LBFGSLineSearch: 21 00:53:23 -83.673790 0.000074 LBFGSLineSearch: 22 00:53:23 -83.673790 0.000065 LBFGSLineSearch: 23 00:53:24 -83.673790 0.000042 LBFGSLineSearch: 24 00:53:25 -83.673790 0.000000 Minimization converged after 24 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:33 -84.117313 0.031680 LBFGSLineSearch: 1 00:53:33 -84.117374 0.053437 LBFGSLineSearch: 2 00:53:33 -84.117453 0.092981 LBFGSLineSearch: 3 00:53:34 -84.117585 0.029865 LBFGSLineSearch: 4 00:53:35 -84.117620 0.012882 LBFGSLineSearch: 5 00:53:36 -84.117661 0.023546 LBFGSLineSearch: 6 00:53:36 -84.117732 0.017292 LBFGSLineSearch: 7 00:53:37 -84.117749 0.007743 LBFGSLineSearch: 8 00:53:38 -84.117773 0.012001 LBFGSLineSearch: 9 00:53:39 -84.117781 0.006009 LBFGSLineSearch: 10 00:53:40 -84.117785 0.004770 LBFGSLineSearch: 11 00:53:40 -84.117789 0.006063 LBFGSLineSearch: 12 00:53:41 -84.117794 0.003432 LBFGSLineSearch: 13 00:53:42 -84.117800 0.002105 LBFGSLineSearch: 14 00:53:43 -84.117801 0.002552 LBFGSLineSearch: 15 00:53:43 -84.117801 0.000513 LBFGSLineSearch: 16 00:53:44 -84.117801 0.000377 LBFGSLineSearch: 17 00:53:44 -84.117801 0.000831 LBFGSLineSearch: 18 00:53:45 -84.117802 0.000356 LBFGSLineSearch: 19 00:53:45 -84.117802 0.000301 LBFGSLineSearch: 20 00:53:45 -84.117802 0.000048 LBFGSLineSearch: 21 00:53:46 -84.117802 0.000107 LBFGSLineSearch: 22 00:53:47 -84.117802 0.000066 LBFGSLineSearch: 23 00:53:48 -84.117802 0.000052 LBFGSLineSearch: 24 00:53:48 -84.117802 0.000000 Minimization converged after 24 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:56 -84.562302 0.031750 LBFGSLineSearch: 1 00:53:57 -84.562362 0.053655 LBFGSLineSearch: 2 00:53:57 -84.562441 0.094879 LBFGSLineSearch: 3 00:53:58 -84.562575 0.030802 LBFGSLineSearch: 4 00:53:58 -84.562612 0.012962 LBFGSLineSearch: 5 00:53:59 -84.562653 0.023879 LBFGSLineSearch: 6 00:53:59 -84.562721 0.018149 LBFGSLineSearch: 7 00:54:00 -84.562740 0.007782 LBFGSLineSearch: 8 00:54:01 -84.562764 0.011689 LBFGSLineSearch: 9 00:54:01 -84.562773 0.006012 LBFGSLineSearch: 10 00:54:01 -84.562776 0.004716 LBFGSLineSearch: 11 00:54:02 -84.562780 0.005791 LBFGSLineSearch: 12 00:54:02 -84.562786 0.003391 LBFGSLineSearch: 13 00:54:03 -84.562792 0.002103 LBFGSLineSearch: 14 00:54:04 -84.562792 0.002663 LBFGSLineSearch: 15 00:54:05 -84.562792 0.000509 LBFGSLineSearch: 16 00:54:06 -84.562793 0.000392 LBFGSLineSearch: 17 00:54:06 -84.562793 0.000791 LBFGSLineSearch: 18 00:54:07 -84.562793 0.000328 LBFGSLineSearch: 19 00:54:08 -84.562793 0.000241 LBFGSLineSearch: 20 00:54:10 -84.562793 0.000104 LBFGSLineSearch: 21 00:54:11 -84.562793 0.000047 LBFGSLineSearch: 22 00:54:12 -84.562793 0.000050 LBFGSLineSearch: 23 00:54:12 -84.562793 0.000060 LBFGSLineSearch: 24 00:54:13 -84.562793 0.000061 LBFGSLineSearch: 25 00:54:13 -84.562793 0.000020 LBFGSLineSearch: 26 00:54:14 -84.562793 0.000001 Minimization converged after 26 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:22 -85.008275 0.031821 LBFGSLineSearch: 1 00:54:23 -85.008334 0.053870 LBFGSLineSearch: 2 00:54:24 -85.008412 0.096800 LBFGSLineSearch: 3 00:54:25 -85.008549 0.031753 LBFGSLineSearch: 4 00:54:25 -85.008587 0.013042 LBFGSLineSearch: 5 00:54:26 -85.008628 0.024196 LBFGSLineSearch: 6 00:54:27 -85.008695 0.018926 LBFGSLineSearch: 7 00:54:27 -85.008715 0.007757 LBFGSLineSearch: 8 00:54:27 -85.008739 0.011508 LBFGSLineSearch: 9 00:54:28 -85.008748 0.006058 LBFGSLineSearch: 10 00:54:28 -85.008752 0.004670 LBFGSLineSearch: 11 00:54:28 -85.008755 0.005629 LBFGSLineSearch: 12 00:54:29 -85.008761 0.003347 LBFGSLineSearch: 13 00:54:29 -85.008767 0.002068 LBFGSLineSearch: 14 00:54:30 -85.008767 0.002754 LBFGSLineSearch: 15 00:54:30 -85.008768 0.000508 LBFGSLineSearch: 16 00:54:30 -85.008768 0.000400 LBFGSLineSearch: 17 00:54:31 -85.008768 0.000489 LBFGSLineSearch: 18 00:54:31 -85.008768 0.000924 LBFGSLineSearch: 19 00:54:32 -85.008768 0.000296 LBFGSLineSearch: 20 00:54:32 -85.008768 0.000081 LBFGSLineSearch: 21 00:54:33 -85.008768 0.000053 LBFGSLineSearch: 22 00:54:33 -85.008768 0.000065 LBFGSLineSearch: 23 00:54:33 -85.008768 0.000066 LBFGSLineSearch: 24 00:54:34 -85.008768 0.000057 LBFGSLineSearch: 25 00:54:34 -85.008768 0.000000 Minimization converged after 25 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:42 -85.455237 0.031891 LBFGSLineSearch: 1 00:54:44 -85.455295 0.054083 LBFGSLineSearch: 2 00:54:44 -85.455375 0.094513 LBFGSLineSearch: 3 00:54:44 -85.455510 0.034632 LBFGSLineSearch: 4 00:54:45 -85.455552 0.015082 LBFGSLineSearch: 5 00:54:45 -85.455590 0.029700 LBFGSLineSearch: 6 00:54:45 -85.455654 0.020866 LBFGSLineSearch: 7 00:54:46 -85.455678 0.007497 LBFGSLineSearch: 8 00:54:46 -85.455698 0.013133 LBFGSLineSearch: 9 00:54:46 -85.455715 0.005141 LBFGSLineSearch: 10 00:54:47 -85.455723 0.006576 LBFGSLineSearch: 11 00:54:47 -85.455725 0.003395 LBFGSLineSearch: 12 00:54:48 -85.455727 0.006471 LBFGSLineSearch: 13 00:54:48 -85.455732 0.001775 LBFGSLineSearch: 14 00:54:49 -85.455732 0.000669 LBFGSLineSearch: 15 00:54:50 -85.455733 0.000658 LBFGSLineSearch: 16 00:54:51 -85.455733 0.000365 LBFGSLineSearch: 17 00:54:52 -85.455733 0.000271 LBFGSLineSearch: 18 00:54:53 -85.455733 0.000279 LBFGSLineSearch: 19 00:54:54 -85.455733 0.000344 LBFGSLineSearch: 20 00:54:54 -85.455733 0.000056 LBFGSLineSearch: 21 00:54:55 -85.455733 0.000088 LBFGSLineSearch: 22 00:54:56 -85.455733 0.000087 LBFGSLineSearch: 23 00:54:56 -85.455733 0.000056 LBFGSLineSearch: 24 00:54:57 -85.455733 0.000000 Minimization converged after 24 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:04 -85.903194 0.031962 LBFGSLineSearch: 1 00:55:04 -85.903252 0.052191 LBFGSLineSearch: 2 00:55:05 -85.903335 0.095412 LBFGSLineSearch: 3 00:55:05 -85.903468 0.032783 LBFGSLineSearch: 4 00:55:06 -85.903511 0.015139 LBFGSLineSearch: 5 00:55:06 -85.903556 0.027192 LBFGSLineSearch: 6 00:55:07 -85.903625 0.019482 LBFGSLineSearch: 7 00:55:07 -85.903640 0.010803 LBFGSLineSearch: 8 00:55:08 -85.903669 0.010860 LBFGSLineSearch: 9 00:55:08 -85.903678 0.005830 LBFGSLineSearch: 10 00:55:08 -85.903682 0.006169 LBFGSLineSearch: 11 00:55:09 -85.903687 0.003930 LBFGSLineSearch: 12 00:55:09 -85.903691 0.006110 LBFGSLineSearch: 13 00:55:10 -85.903694 0.003927 LBFGSLineSearch: 14 00:55:10 -85.903695 0.003222 LBFGSLineSearch: 15 00:55:11 -85.903697 0.001477 LBFGSLineSearch: 16 00:55:11 -85.903698 0.000917 LBFGSLineSearch: 17 00:55:11 -85.903698 0.001247 LBFGSLineSearch: 18 00:55:12 -85.903698 0.001067 LBFGSLineSearch: 19 00:55:12 -85.903698 0.000688 LBFGSLineSearch: 20 00:55:12 -85.903698 0.000680 LBFGSLineSearch: 21 00:55:13 -85.903698 0.000731 LBFGSLineSearch: 22 00:55:13 -85.903698 0.000945 LBFGSLineSearch: 23 00:55:13 -85.903699 0.000635 LBFGSLineSearch: 24 00:55:14 -85.903699 0.000535 LBFGSLineSearch: 25 00:55:15 -85.903699 0.000300 LBFGSLineSearch: 26 00:55:15 -85.903699 0.000427 LBFGSLineSearch: 27 00:55:16 -85.903699 0.000737 LBFGSLineSearch: 28 00:55:18 -85.903699 0.000221 LBFGSLineSearch: 29 00:55:19 -85.903699 0.000397 LBFGSLineSearch: 30 00:55:20 -85.903699 0.000029 LBFGSLineSearch: 31 00:55:20 -85.903699 0.000001 Minimization converged after 31 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:28 -86.352189 0.032036 LBFGSLineSearch: 1 00:55:29 -86.352255 0.057025 LBFGSLineSearch: 2 00:55:29 -86.352368 0.063101 LBFGSLineSearch: 3 00:55:30 -86.352527 0.027439 LBFGSLineSearch: 4 00:55:30 -86.352568 0.013002 LBFGSLineSearch: 5 00:55:31 -86.352633 0.030376 LBFGSLineSearch: 6 00:55:31 -86.352733 0.011129 LBFGSLineSearch: 7 00:55:32 -86.352785 0.008292 LBFGSLineSearch: 8 00:55:32 -86.352798 0.006166 LBFGSLineSearch: 9 00:55:33 -86.352809 0.010659 LBFGSLineSearch: 10 00:55:34 -86.352855 0.012576 LBFGSLineSearch: 11 00:55:35 -86.366288 0.472141 LBFGSLineSearch: 12 00:55:35 -86.366288 0.472527 LBFGSLineSearch: 13 00:55:36 -86.388735 0.175786 LBFGSLineSearch: 14 00:55:36 -86.392318 0.118525 LBFGSLineSearch: 15 00:55:38 -86.396003 0.190813 LBFGSLineSearch: 16 00:55:39 -86.398757 0.082809 LBFGSLineSearch: 17 00:55:40 -86.400496 0.234131 LBFGSLineSearch: 18 00:55:40 -86.401533 0.065266 LBFGSLineSearch: 19 00:55:41 -86.402667 0.103065 LBFGSLineSearch: 20 00:55:41 -86.403388 0.045099 LBFGSLineSearch: 21 00:55:42 -86.403548 0.026525 LBFGSLineSearch: 22 00:55:42 -86.403635 0.019786 LBFGSLineSearch: 23 00:55:42 -86.403771 0.026221 LBFGSLineSearch: 24 00:55:43 -86.403971 0.026067 LBFGSLineSearch: 25 00:55:45 -86.404076 0.017104 LBFGSLineSearch: 26 00:55:46 -86.404091 0.009237 LBFGSLineSearch: 27 00:55:46 -86.404116 0.020718 LBFGSLineSearch: 28 00:55:47 -86.404139 0.006441 LBFGSLineSearch: 29 00:55:48 -86.404158 0.001834 LBFGSLineSearch: 30 00:55:48 -86.404159 0.000885 LBFGSLineSearch: 31 00:55:48 -86.404160 0.001026 LBFGSLineSearch: 32 00:55:49 -86.404160 0.000528 LBFGSLineSearch: 33 00:55:50 -86.404160 0.000864 LBFGSLineSearch: 34 00:55:50 -86.404160 0.000129 LBFGSLineSearch: 35 00:55:51 -86.404160 0.000002 Minimization converged after 35 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:59 -86.855479 0.032237 LBFGSLineSearch: 1 00:55:59 -86.855529 0.049309 LBFGSLineSearch: 2 00:55:59 -86.855600 0.093198 LBFGSLineSearch: 3 00:56:00 -86.855717 0.030043 LBFGSLineSearch: 4 00:56:00 -86.855732 0.026098 LBFGSLineSearch: 5 00:56:01 -86.855761 0.020698 LBFGSLineSearch: 6 00:56:01 -86.855792 0.038759 LBFGSLineSearch: 7 00:56:01 -86.855822 0.031695 LBFGSLineSearch: 8 00:56:02 -86.855875 0.014049 LBFGSLineSearch: 9 00:56:03 -86.855902 0.013793 LBFGSLineSearch: 10 00:56:04 -86.855921 0.003464 LBFGSLineSearch: 11 00:56:04 -86.855924 0.004006 LBFGSLineSearch: 12 00:56:05 -86.855928 0.001961 LBFGSLineSearch: 13 00:56:05 -86.855928 0.002018 LBFGSLineSearch: 14 00:56:06 -86.855929 0.001403 LBFGSLineSearch: 15 00:56:06 -86.855929 0.001380 LBFGSLineSearch: 16 00:56:07 -86.855929 0.002189 LBFGSLineSearch: 17 00:56:08 -86.855930 0.000424 LBFGSLineSearch: 18 00:56:08 -86.855930 0.000138 LBFGSLineSearch: 19 00:56:09 -86.855930 0.000121 LBFGSLineSearch: 20 00:56:09 -86.855930 0.000061 LBFGSLineSearch: 21 00:56:09 -86.855930 0.000059 LBFGSLineSearch: 22 00:56:10 -86.855930 0.000044 LBFGSLineSearch: 23 00:56:10 -86.855930 0.000033 LBFGSLineSearch: 24 00:56:11 -86.855930 0.000005 Minimization converged after 24 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:56:19 -87.308152 0.032307 LBFGSLineSearch: 1 00:56:20 -87.308203 0.047570 LBFGSLineSearch: 2 00:56:20 -87.308291 0.093348 LBFGSLineSearch: 3 00:56:21 -87.308415 0.036505 LBFGSLineSearch: 4 00:56:21 -87.308433 0.011332 LBFGSLineSearch: 5 00:56:22 -87.308468 0.039590 LBFGSLineSearch: 6 00:56:22 -87.308525 0.009308 LBFGSLineSearch: 7 00:56:23 -87.308565 0.006969 LBFGSLineSearch: 8 00:56:23 -87.308576 0.005889 LBFGSLineSearch: 9 00:56:23 -87.308582 0.008915 LBFGSLineSearch: 10 00:56:24 -87.308600 0.003441 LBFGSLineSearch: 11 00:56:25 -87.308604 0.003892 LBFGSLineSearch: 12 00:56:25 -87.308605 0.002285 LBFGSLineSearch: 13 00:56:25 -87.308607 0.001543 LBFGSLineSearch: 14 00:56:26 -87.308607 0.001102 LBFGSLineSearch: 15 00:56:26 -87.308608 0.000960 LBFGSLineSearch: 16 00:56:28 -87.308608 0.000556 LBFGSLineSearch: 17 00:56:28 -87.308608 0.000282 LBFGSLineSearch: 18 00:56:29 -87.308608 0.000255 LBFGSLineSearch: 19 00:56:30 -87.308608 0.000050 LBFGSLineSearch: 20 00:56:30 -87.308608 0.000048 LBFGSLineSearch: 21 00:56:30 -87.308608 0.000038 LBFGSLineSearch: 22 00:56:30 -87.308608 0.000023 LBFGSLineSearch: 23 00:56:31 -87.308608 0.000000 Minimization converged after 23 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:56:39 -87.761763 0.032368 LBFGSLineSearch: 1 00:56:39 -87.761821 0.053913 LBFGSLineSearch: 2 00:56:40 -87.761928 0.095663 LBFGSLineSearch: 3 00:56:40 -87.762088 0.038004 LBFGSLineSearch: 4 00:56:41 -87.762129 0.012864 LBFGSLineSearch: 5 00:56:41 -87.762214 0.015832 LBFGSLineSearch: 6 00:56:41 -87.762245 0.008587 LBFGSLineSearch: 7 00:56:42 -87.762265 0.011964 LBFGSLineSearch: 8 00:56:42 -87.762286 0.004878 LBFGSLineSearch: 9 00:56:43 -87.762297 0.004349 LBFGSLineSearch: 10 00:56:44 -87.762301 0.005844 LBFGSLineSearch: 11 00:56:44 -87.762305 0.002999 LBFGSLineSearch: 12 00:56:45 -87.762311 0.004491 LBFGSLineSearch: 13 00:56:45 -87.762311 0.001329 LBFGSLineSearch: 14 00:56:46 -87.762312 0.003327 LBFGSLineSearch: 15 00:56:46 -87.762312 0.000660 LBFGSLineSearch: 16 00:56:46 -87.762312 0.000516 LBFGSLineSearch: 17 00:56:47 -87.762312 0.000415 LBFGSLineSearch: 18 00:56:47 -87.762312 0.000479 LBFGSLineSearch: 19 00:56:48 -87.762312 0.000118 LBFGSLineSearch: 20 00:56:49 -87.762312 0.000048 LBFGSLineSearch: 21 00:56:49 -87.762312 0.000030 LBFGSLineSearch: 22 00:56:51 -87.762312 0.000030 LBFGSLineSearch: 23 00:56:52 -87.762312 0.000000 Minimization converged after 23 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:57:00 -88.216568 0.032447 LBFGSLineSearch: 1 00:57:01 -88.216625 0.054031 LBFGSLineSearch: 2 00:57:01 -88.216735 0.089652 LBFGSLineSearch: 3 00:57:02 -88.216897 0.034249 LBFGSLineSearch: 4 00:57:02 -88.216938 0.013040 LBFGSLineSearch: 5 00:57:02 -88.217025 0.009859 LBFGSLineSearch: 6 00:57:02 -88.217055 0.008112 LBFGSLineSearch: 7 00:57:03 -88.217076 0.010718 LBFGSLineSearch: 8 00:57:03 -88.217095 0.005014 LBFGSLineSearch: 9 00:57:03 -88.217102 0.013619 LBFGSLineSearch: 10 00:57:04 -88.217107 0.006743 LBFGSLineSearch: 11 00:57:04 -88.217110 0.003752 LBFGSLineSearch: 12 00:57:04 -88.217113 0.007526 LBFGSLineSearch: 13 00:57:04 -88.217117 0.003409 LBFGSLineSearch: 14 00:57:05 -88.217121 0.001530 LBFGSLineSearch: 15 00:57:05 -88.217122 0.001184 LBFGSLineSearch: 16 00:57:05 -88.217122 0.000981 LBFGSLineSearch: 17 00:57:06 -88.217122 0.000549 LBFGSLineSearch: 18 00:57:06 -88.217122 0.000393 LBFGSLineSearch: 19 00:57:06 -88.217122 0.000378 LBFGSLineSearch: 20 00:57:07 -88.217122 0.000431 LBFGSLineSearch: 21 00:57:08 -88.217123 0.000102 LBFGSLineSearch: 22 00:57:09 -88.217123 0.000038 LBFGSLineSearch: 23 00:57:09 -88.217123 0.000030 LBFGSLineSearch: 24 00:57:10 -88.217123 0.000077 LBFGSLineSearch: 25 00:57:10 -88.217123 0.000000 Minimization converged after 25 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:57:19 -88.672489 0.032526 LBFGSLineSearch: 1 00:57:20 -88.672545 0.054149 LBFGSLineSearch: 2 00:57:20 -88.672664 0.083827 LBFGSLineSearch: 3 00:57:21 -88.672822 0.031388 LBFGSLineSearch: 4 00:57:21 -88.672864 0.017026 LBFGSLineSearch: 5 00:57:22 -88.672939 0.034343 LBFGSLineSearch: 6 00:57:23 -88.672975 0.016809 LBFGSLineSearch: 7 00:57:23 -88.672991 0.008300 LBFGSLineSearch: 8 00:57:25 -88.673010 0.022497 LBFGSLineSearch: 9 00:57:25 -88.673024 0.006445 LBFGSLineSearch: 10 00:57:26 -88.673033 0.003849 LBFGSLineSearch: 11 00:57:27 -88.673037 0.003835 LBFGSLineSearch: 12 00:57:29 -88.673040 0.004350 LBFGSLineSearch: 13 00:57:30 -88.673044 0.002745 LBFGSLineSearch: 14 00:57:32 -88.673048 0.001573 LBFGSLineSearch: 15 00:57:34 -88.673049 0.001199 LBFGSLineSearch: 16 00:57:35 -88.673050 0.000759 LBFGSLineSearch: 17 00:57:36 -88.673050 0.000609 LBFGSLineSearch: 18 00:57:36 -88.673050 0.000485 LBFGSLineSearch: 19 00:57:37 -88.673050 0.000580 LBFGSLineSearch: 20 00:57:37 -88.673050 0.000352 LBFGSLineSearch: 21 00:57:38 -88.673050 0.000122 LBFGSLineSearch: 22 00:57:40 -88.673050 0.000092 LBFGSLineSearch: 23 00:57:41 -88.673050 0.000085 LBFGSLineSearch: 24 00:57:41 -88.673050 0.000049 LBFGSLineSearch: 25 00:57:42 -88.673050 0.000029 LBFGSLineSearch: 26 00:57:43 -88.673050 0.000029 LBFGSLineSearch: 27 00:57:43 -88.673050 0.000003 Minimization converged after 27 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:57:51 -89.129541 0.032608 LBFGSLineSearch: 1 00:57:52 -89.129596 0.054265 LBFGSLineSearch: 2 00:57:53 -89.129726 0.078201 LBFGSLineSearch: 3 00:57:54 -89.129875 0.035933 LBFGSLineSearch: 4 00:57:55 -89.129918 0.024076 LBFGSLineSearch: 5 00:57:56 -89.129964 0.038209 LBFGSLineSearch: 6 00:57:57 -89.130010 0.028945 LBFGSLineSearch: 7 00:57:57 -89.130043 0.011344 LBFGSLineSearch: 8 00:57:58 -89.130059 0.018616 LBFGSLineSearch: 9 00:57:58 -89.130080 0.005194 LBFGSLineSearch: 10 00:57:59 -89.130086 0.010283 LBFGSLineSearch: 11 00:58:00 -89.130094 0.004325 LBFGSLineSearch: 12 00:58:00 -89.130100 0.004286 LBFGSLineSearch: 13 00:58:01 -89.130101 0.002419 LBFGSLineSearch: 14 00:58:01 -89.130104 0.003321 LBFGSLineSearch: 15 00:58:02 -89.130106 0.001167 LBFGSLineSearch: 16 00:58:03 -89.130107 0.000645 LBFGSLineSearch: 17 00:58:03 -89.130107 0.001240 LBFGSLineSearch: 18 00:58:04 -89.130107 0.000370 LBFGSLineSearch: 19 00:58:05 -89.130108 0.000666 LBFGSLineSearch: 20 00:58:06 -89.130108 0.000157 LBFGSLineSearch: 21 00:58:07 -89.130108 0.000345 LBFGSLineSearch: 22 00:58:07 -89.130108 0.000149 LBFGSLineSearch: 23 00:58:08 -89.130108 0.000030 LBFGSLineSearch: 24 00:58:08 -89.130108 0.000076 LBFGSLineSearch: 25 00:58:08 -89.130108 0.000002 Minimization converged after 25 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:58:17 -89.587734 0.032688 LBFGSLineSearch: 1 00:58:17 -89.587789 0.054383 LBFGSLineSearch: 2 00:58:17 -89.587934 0.072815 LBFGSLineSearch: 3 00:58:18 -89.588054 0.061485 LBFGSLineSearch: 4 00:58:18 -89.588114 0.040874 LBFGSLineSearch: 5 00:58:19 -89.588147 0.014560 LBFGSLineSearch: 6 00:58:20 -89.588178 0.021403 LBFGSLineSearch: 7 00:58:21 -89.588221 0.032317 LBFGSLineSearch: 8 00:58:21 -89.588250 0.016168 LBFGSLineSearch: 9 00:58:21 -89.588261 0.007257 LBFGSLineSearch: 10 00:58:22 -89.588272 0.011005 LBFGSLineSearch: 11 00:58:22 -89.588280 0.012322 LBFGSLineSearch: 12 00:58:23 -89.588285 0.006191 LBFGSLineSearch: 13 00:58:23 -89.588289 0.009286 LBFGSLineSearch: 14 00:58:24 -89.588297 0.005868 LBFGSLineSearch: 15 00:58:24 -89.588300 0.005875 LBFGSLineSearch: 16 00:58:24 -89.588304 0.002353 LBFGSLineSearch: 17 00:58:25 -89.588306 0.002564 LBFGSLineSearch: 18 00:58:26 -89.588307 0.000969 LBFGSLineSearch: 19 00:58:27 -89.588307 0.001643 LBFGSLineSearch: 20 00:58:28 -89.588307 0.000417 LBFGSLineSearch: 21 00:58:29 -89.588307 0.000464 LBFGSLineSearch: 22 00:58:29 -89.588307 0.000289 LBFGSLineSearch: 23 00:58:30 -89.588308 0.000321 LBFGSLineSearch: 24 00:58:31 -89.588308 0.000162 LBFGSLineSearch: 25 00:58:32 -89.588308 0.000144 LBFGSLineSearch: 26 00:58:32 -89.588308 0.000101 LBFGSLineSearch: 27 00:58:32 -89.588308 0.000030 LBFGSLineSearch: 28 00:58:33 -89.588308 0.000061 LBFGSLineSearch: 29 00:58:33 -89.588308 0.000022 LBFGSLineSearch: 30 00:58:34 -89.588308 0.000000 Minimization converged after 30 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:58:43 -90.047083 0.032770 LBFGSLineSearch: 1 00:58:43 -90.047137 0.054498 LBFGSLineSearch: 2 00:58:44 -90.047302 0.067707 LBFGSLineSearch: 3 00:58:45 -90.047409 0.066789 LBFGSLineSearch: 4 00:58:45 -90.047465 0.051172 LBFGSLineSearch: 5 00:58:46 -90.047501 0.020010 LBFGSLineSearch: 6 00:58:46 -90.047528 0.025055 LBFGSLineSearch: 7 00:58:47 -90.047590 0.033665 LBFGSLineSearch: 8 00:58:47 -90.047613 0.013810 LBFGSLineSearch: 9 00:58:47 -90.047634 0.009351 LBFGSLineSearch: 10 00:58:48 -90.047639 0.007209 LBFGSLineSearch: 11 00:58:50 -90.047648 0.005186 LBFGSLineSearch: 12 00:58:51 -90.047652 0.003759 LBFGSLineSearch: 13 00:58:52 -90.047658 0.002530 LBFGSLineSearch: 14 00:58:53 -90.047661 0.001961 LBFGSLineSearch: 15 00:58:53 -90.047663 0.001306 LBFGSLineSearch: 16 00:58:54 -90.047663 0.001584 LBFGSLineSearch: 17 00:58:54 -90.047664 0.000573 LBFGSLineSearch: 18 00:58:55 -90.047664 0.001054 LBFGSLineSearch: 19 00:58:55 -90.047664 0.000330 LBFGSLineSearch: 20 00:58:56 -90.047664 0.000383 LBFGSLineSearch: 21 00:58:56 -90.047664 0.000149 LBFGSLineSearch: 22 00:58:56 -90.047664 0.000095 LBFGSLineSearch: 23 00:58:56 -90.047664 0.000102 LBFGSLineSearch: 24 00:58:56 -90.047664 0.000056 LBFGSLineSearch: 25 00:58:56 -90.047664 0.000030 LBFGSLineSearch: 26 00:58:57 -90.047664 0.000031 LBFGSLineSearch: 27 00:58:57 -90.047664 0.000012 LBFGSLineSearch: 28 00:58:58 -90.047664 0.000000 Minimization converged after 28 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:59:06 -90.507603 0.032853 LBFGSLineSearch: 1 00:59:06 -90.507656 0.054614 LBFGSLineSearch: 2 00:59:07 -90.507843 0.062905 LBFGSLineSearch: 3 00:59:08 -90.507930 0.065870 LBFGSLineSearch: 4 00:59:09 -90.507993 0.047772 LBFGSLineSearch: 5 00:59:11 -90.508032 0.011338 LBFGSLineSearch: 6 00:59:11 -90.508065 0.017470 LBFGSLineSearch: 7 00:59:12 -90.508095 0.047947 LBFGSLineSearch: 8 00:59:13 -90.508122 0.030037 LBFGSLineSearch: 9 00:59:13 -90.508146 0.012005 LBFGSLineSearch: 10 00:59:14 -90.508162 0.014884 LBFGSLineSearch: 11 00:59:15 -90.508168 0.007349 LBFGSLineSearch: 12 00:59:16 -90.508176 0.003241 LBFGSLineSearch: 13 00:59:17 -90.508179 0.005023 LBFGSLineSearch: 14 00:59:18 -90.508185 0.002685 LBFGSLineSearch: 15 00:59:19 -90.508188 0.001636 LBFGSLineSearch: 16 00:59:20 -90.508190 0.001172 LBFGSLineSearch: 17 00:59:21 -90.508190 0.000986 LBFGSLineSearch: 18 00:59:22 -90.508190 0.000509 LBFGSLineSearch: 19 00:59:23 -90.508190 0.000326 LBFGSLineSearch: 20 00:59:24 -90.508190 0.000275 LBFGSLineSearch: 21 00:59:27 -90.508190 0.000357 LBFGSLineSearch: 22 00:59:27 -90.508190 0.000113 LBFGSLineSearch: 23 00:59:28 -90.508190 0.000092 LBFGSLineSearch: 24 00:59:29 -90.508190 0.000031 LBFGSLineSearch: 25 00:59:32 -90.508190 0.000029 LBFGSLineSearch: 26 00:59:32 -90.508190 0.000039 LBFGSLineSearch: 27 00:59:33 -90.508190 0.000000 Minimization converged after 27 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:59:41 -90.969307 0.032937 LBFGSLineSearch: 1 00:59:41 -90.969361 0.055874 LBFGSLineSearch: 2 00:59:42 -90.969565 0.063275 LBFGSLineSearch: 3 00:59:42 -90.969635 0.047244 LBFGSLineSearch: 4 00:59:43 -90.969692 0.040838 LBFGSLineSearch: 5 00:59:44 -90.969764 0.013446 LBFGSLineSearch: 6 00:59:44 -90.969776 0.017640 LBFGSLineSearch: 7 00:59:45 -90.969808 0.025988 LBFGSLineSearch: 8 00:59:46 -90.969850 0.020311 LBFGSLineSearch: 9 00:59:46 -90.969864 0.006980 LBFGSLineSearch: 10 00:59:47 -90.969878 0.004648 LBFGSLineSearch: 11 00:59:47 -90.969886 0.004630 LBFGSLineSearch: 12 00:59:48 -90.969890 0.003879 LBFGSLineSearch: 13 00:59:50 -90.969893 0.004286 LBFGSLineSearch: 14 00:59:50 -90.969898 0.002906 LBFGSLineSearch: 15 00:59:51 -90.969901 0.001829 LBFGSLineSearch: 16 00:59:51 -90.969902 0.001245 LBFGSLineSearch: 17 00:59:53 -90.969902 0.001544 LBFGSLineSearch: 18 00:59:54 -90.969902 0.000566 LBFGSLineSearch: 19 00:59:54 -90.969903 0.000646 LBFGSLineSearch: 20 00:59:55 -90.969903 0.000223 LBFGSLineSearch: 21 00:59:56 -90.969903 0.000292 LBFGSLineSearch: 22 00:59:57 -90.969903 0.000453 LBFGSLineSearch: 23 00:59:57 -90.969903 0.000132 LBFGSLineSearch: 24 00:59:58 -90.969903 0.000128 LBFGSLineSearch: 25 00:59:58 -90.969903 0.000028 LBFGSLineSearch: 26 00:59:58 -90.969903 0.000023 LBFGSLineSearch: 27 00:59:58 -90.969903 0.000008 Minimization converged after 27 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:00:08 -91.432213 0.033026 LBFGSLineSearch: 1 01:00:11 -91.432269 0.058311 LBFGSLineSearch: 2 01:00:11 -91.432514 0.058187 LBFGSLineSearch: 3 01:00:12 -91.432573 0.033107 LBFGSLineSearch: 4 01:00:12 -91.432614 0.031169 LBFGSLineSearch: 5 01:00:13 -91.432688 0.044952 LBFGSLineSearch: 6 01:00:13 -91.432724 0.015893 LBFGSLineSearch: 7 01:00:14 -91.432769 0.010906 LBFGSLineSearch: 8 01:00:15 -91.432779 0.009152 LBFGSLineSearch: 9 01:00:15 -91.432786 0.005707 LBFGSLineSearch: 10 01:00:15 -91.432789 0.011643 LBFGSLineSearch: 11 01:00:16 -91.432799 0.007488 LBFGSLineSearch: 12 01:00:16 -91.432804 0.004947 LBFGSLineSearch: 13 01:00:17 -91.432807 0.003388 LBFGSLineSearch: 14 01:00:17 -91.432811 0.002358 LBFGSLineSearch: 15 01:00:17 -91.432813 0.002109 LBFGSLineSearch: 16 01:00:18 -91.432814 0.001704 LBFGSLineSearch: 17 01:00:18 -91.432815 0.001284 LBFGSLineSearch: 18 01:00:20 -91.432815 0.001268 LBFGSLineSearch: 19 01:00:20 -91.432816 0.000642 LBFGSLineSearch: 20 01:00:21 -91.432816 0.000401 LBFGSLineSearch: 21 01:00:21 -91.432816 0.000154 LBFGSLineSearch: 22 01:00:22 -91.432816 0.000123 LBFGSLineSearch: 23 01:00:22 -91.432816 0.000107 LBFGSLineSearch: 24 01:00:22 -91.432816 0.000087 LBFGSLineSearch: 25 01:00:23 -91.432816 0.000074 LBFGSLineSearch: 26 01:00:23 -91.432816 0.000063 LBFGSLineSearch: 27 01:00:24 -91.432816 0.000008 Minimization converged after 27 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:00:33 -91.896335 0.033112 LBFGSLineSearch: 1 01:00:34 -91.896399 0.078814 LBFGSLineSearch: 2 01:00:34 -91.896708 0.048038 LBFGSLineSearch: 3 01:00:35 -91.896754 0.020221 LBFGSLineSearch: 4 01:00:36 -91.896815 0.049592 LBFGSLineSearch: 5 01:00:36 -91.896871 0.008185 LBFGSLineSearch: 6 01:00:37 -91.896917 0.012033 LBFGSLineSearch: 7 01:00:37 -91.896926 0.006115 LBFGSLineSearch: 8 01:00:38 -91.896937 0.013007 LBFGSLineSearch: 9 01:00:39 -91.896953 0.005016 LBFGSLineSearch: 10 01:00:40 -91.896959 0.003566 LBFGSLineSearch: 11 01:00:40 -91.896963 0.005948 LBFGSLineSearch: 12 01:00:41 -91.896966 0.004878 LBFGSLineSearch: 13 01:00:42 -91.896967 0.002274 LBFGSLineSearch: 14 01:00:43 -91.896969 0.005882 LBFGSLineSearch: 15 01:00:43 -91.896971 0.001239 LBFGSLineSearch: 16 01:00:44 -91.896972 0.001670 LBFGSLineSearch: 17 01:00:45 -91.896972 0.001687 LBFGSLineSearch: 18 01:00:46 -91.896972 0.001145 LBFGSLineSearch: 19 01:00:48 -91.896973 0.001390 LBFGSLineSearch: 20 01:00:48 -91.896974 0.001236 LBFGSLineSearch: 21 01:00:49 -91.896974 0.001288 LBFGSLineSearch: 22 01:00:50 -91.896975 0.000544 LBFGSLineSearch: 23 01:00:51 -91.896975 0.001088 LBFGSLineSearch: 24 01:00:52 -91.896975 0.000170 LBFGSLineSearch: 25 01:00:52 -91.896975 0.000127 LBFGSLineSearch: 26 01:00:54 -91.896975 0.000001 Minimization converged after 26 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:01:02 -92.361831 0.033204 LBFGSLineSearch: 1 01:01:03 -92.361899 0.084959 LBFGSLineSearch: 2 01:01:03 -92.362241 0.054825 LBFGSLineSearch: 3 01:01:04 -92.362294 0.015829 LBFGSLineSearch: 4 01:01:05 -92.362376 0.023396 LBFGSLineSearch: 5 01:01:06 -92.362409 0.010731 LBFGSLineSearch: 6 01:01:07 -92.362425 0.009598 LBFGSLineSearch: 7 01:01:09 -92.362446 0.017389 LBFGSLineSearch: 8 01:01:11 -92.362481 0.007272 LBFGSLineSearch: 9 01:01:14 -92.362514 0.005225 LBFGSLineSearch: 10 01:01:15 -92.362523 0.004242 LBFGSLineSearch: 11 01:01:16 -92.362528 0.006039 LBFGSLineSearch: 12 01:01:16 -92.362538 0.003624 LBFGSLineSearch: 13 01:01:17 -92.362548 0.003114 LBFGSLineSearch: 14 01:01:17 -92.362549 0.002693 LBFGSLineSearch: 15 01:01:18 -92.362551 0.004029 LBFGSLineSearch: 16 01:01:19 -92.362554 0.002634 LBFGSLineSearch: 17 01:01:20 -92.362555 0.002076 LBFGSLineSearch: 18 01:01:21 -92.362560 0.001994 LBFGSLineSearch: 19 01:01:21 -92.362563 0.000978 LBFGSLineSearch: 20 01:01:22 -92.362564 0.001193 LBFGSLineSearch: 21 01:01:23 -92.362564 0.000351 LBFGSLineSearch: 22 01:01:24 -92.362564 0.000626 LBFGSLineSearch: 23 01:01:25 -92.362564 0.000230 LBFGSLineSearch: 24 01:01:28 -92.362564 0.000629 LBFGSLineSearch: 25 01:01:29 -92.362564 0.000112 LBFGSLineSearch: 26 01:01:30 -92.362564 0.000000 Minimization converged after 26 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:01:37 -92.828890 0.033309 LBFGSLineSearch: 1 01:01:38 -92.828957 0.085340 LBFGSLineSearch: 2 01:01:38 -92.829305 0.057326 LBFGSLineSearch: 3 01:01:40 -92.829362 0.016356 LBFGSLineSearch: 4 01:01:40 -92.829456 0.023211 LBFGSLineSearch: 5 01:01:41 -92.829510 0.012157 LBFGSLineSearch: 6 01:01:42 -92.829653 0.049721 LBFGSLineSearch: 7 01:01:44 -93.268138 0.268775 LBFGSLineSearch: 8 01:01:45 -93.268139 0.261693 LBFGSLineSearch: 9 01:01:45 -93.274808 0.338992 LBFGSLineSearch: 10 01:01:46 -93.284635 0.471674 LBFGSLineSearch: 11 01:01:46 -93.295055 0.329974 LBFGSLineSearch: 12 01:01:47 -93.302482 0.264481 LBFGSLineSearch: 13 01:01:48 -93.306892 0.290608 LBFGSLineSearch: 14 01:01:49 -93.311597 0.250677 LBFGSLineSearch: 15 01:01:50 -93.313835 0.123543 LBFGSLineSearch: 16 01:01:51 -93.315688 0.186174 LBFGSLineSearch: 17 01:01:51 -93.319939 0.204241 LBFGSLineSearch: 18 01:01:52 -93.323354 0.197219 LBFGSLineSearch: 19 01:01:52 -93.324318 0.211699 LBFGSLineSearch: 20 01:01:53 -93.325486 0.109683 LBFGSLineSearch: 21 01:01:53 -93.325916 0.060601 LBFGSLineSearch: 22 01:01:54 -93.326494 0.085343 LBFGSLineSearch: 23 01:01:54 -93.327101 0.062809 LBFGSLineSearch: 24 01:01:55 -93.327318 0.054004 LBFGSLineSearch: 25 01:01:55 -93.327478 0.014804 LBFGSLineSearch: 26 01:01:56 -93.327508 0.021152 LBFGSLineSearch: 27 01:01:56 -93.327614 0.006796 LBFGSLineSearch: 28 01:01:57 -93.327630 0.005595 LBFGSLineSearch: 29 01:01:58 -93.327643 0.005649 LBFGSLineSearch: 30 01:01:58 -93.327665 0.001658 LBFGSLineSearch: 31 01:02:00 -93.327666 0.001239 LBFGSLineSearch: 32 01:02:01 -93.327666 0.000929 LBFGSLineSearch: 33 01:02:01 -93.327666 0.000471 LBFGSLineSearch: 34 01:02:02 -93.327666 0.000550 LBFGSLineSearch: 35 01:02:02 -93.327666 0.000076 LBFGSLineSearch: 36 01:02:02 -93.327666 0.000001 Minimization converged after 36 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:02:12 -93.804454 0.034056 LBFGSLineSearch: 1 01:02:12 -93.804482 0.053335 LBFGSLineSearch: 2 01:02:12 -93.804698 0.109913 LBFGSLineSearch: 3 01:02:13 -93.804786 0.051052 LBFGSLineSearch: 4 01:02:13 -93.804810 0.011527 LBFGSLineSearch: 5 01:02:14 -93.804858 0.015237 LBFGSLineSearch: 6 01:02:15 -93.804865 0.003409 LBFGSLineSearch: 7 01:02:16 -93.804867 0.007450 LBFGSLineSearch: 8 01:02:16 -93.804870 0.002374 LBFGSLineSearch: 9 01:02:17 -93.804872 0.002450 LBFGSLineSearch: 10 01:02:17 -93.804875 0.004393 LBFGSLineSearch: 11 01:02:18 -93.804875 0.001586 LBFGSLineSearch: 12 01:02:18 -93.804876 0.000777 LBFGSLineSearch: 13 01:02:18 -93.804876 0.000754 LBFGSLineSearch: 14 01:02:19 -93.804876 0.000453 LBFGSLineSearch: 15 01:02:19 -93.804876 0.000537 LBFGSLineSearch: 16 01:02:20 -93.804876 0.000149 LBFGSLineSearch: 17 01:02:20 -93.804876 0.000077 LBFGSLineSearch: 18 01:02:20 -93.804876 0.000038 LBFGSLineSearch: 19 01:02:21 -93.804876 0.000031 LBFGSLineSearch: 20 01:02:21 -93.804876 0.000009 Minimization converged after 20 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:02:29 -94.282509 0.034125 LBFGSLineSearch: 1 01:02:30 -94.282537 0.053853 LBFGSLineSearch: 2 01:02:31 -94.282754 0.111432 LBFGSLineSearch: 3 01:02:32 -94.282846 0.052351 LBFGSLineSearch: 4 01:02:33 -94.282871 0.011526 LBFGSLineSearch: 5 01:02:34 -94.282919 0.016078 LBFGSLineSearch: 6 01:02:34 -94.282927 0.003519 LBFGSLineSearch: 7 01:02:35 -94.282928 0.007208 LBFGSLineSearch: 8 01:02:35 -94.282932 0.002252 LBFGSLineSearch: 9 01:02:36 -94.282934 0.003739 LBFGSLineSearch: 10 01:02:36 -94.282936 0.004400 LBFGSLineSearch: 11 01:02:37 -94.282938 0.001471 LBFGSLineSearch: 12 01:02:37 -94.282938 0.000511 LBFGSLineSearch: 13 01:02:38 -94.282938 0.000542 LBFGSLineSearch: 14 01:02:39 -94.282938 0.000084 LBFGSLineSearch: 15 01:02:40 -94.282938 0.000236 LBFGSLineSearch: 16 01:02:40 -94.282938 0.000037 LBFGSLineSearch: 17 01:02:41 -94.282938 0.000009 Minimization converged after 17 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:02:49 -94.761432 0.034187 LBFGSLineSearch: 1 01:02:50 -94.761459 0.054385 LBFGSLineSearch: 2 01:02:50 -94.761679 0.112808 LBFGSLineSearch: 3 01:02:51 -94.761774 0.053619 LBFGSLineSearch: 4 01:02:51 -94.761800 0.011517 LBFGSLineSearch: 5 01:02:52 -94.761848 0.017695 LBFGSLineSearch: 6 01:02:53 -94.761857 0.003782 LBFGSLineSearch: 7 01:02:55 -94.761858 0.006638 LBFGSLineSearch: 8 01:02:55 -94.761862 0.002657 LBFGSLineSearch: 9 01:02:57 -94.761863 0.002639 LBFGSLineSearch: 10 01:02:58 -94.761865 0.003570 LBFGSLineSearch: 11 01:02:58 -94.761867 0.002957 LBFGSLineSearch: 12 01:02:58 -94.761869 0.000810 LBFGSLineSearch: 13 01:02:59 -94.761869 0.000417 LBFGSLineSearch: 14 01:02:59 -94.761869 0.000208 LBFGSLineSearch: 15 01:02:59 -94.761869 0.000066 LBFGSLineSearch: 16 01:02:59 -94.761869 0.000074 LBFGSLineSearch: 17 01:03:00 -94.761869 0.000031 LBFGSLineSearch: 18 01:03:00 -94.761869 0.000045 LBFGSLineSearch: 19 01:03:01 -94.761869 0.000007 Minimization converged after 19 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:03:08 -95.241239 0.034248 LBFGSLineSearch: 1 01:03:09 -95.241266 0.054907 LBFGSLineSearch: 2 01:03:09 -95.241488 0.114534 LBFGSLineSearch: 3 01:03:10 -95.241586 0.055277 LBFGSLineSearch: 4 01:03:10 -95.241613 0.011540 LBFGSLineSearch: 5 01:03:11 -95.241662 0.018973 LBFGSLineSearch: 6 01:03:12 -95.241671 0.004090 LBFGSLineSearch: 7 01:03:13 -95.241672 0.006636 LBFGSLineSearch: 8 01:03:14 -95.241677 0.003101 LBFGSLineSearch: 9 01:03:14 -95.241678 0.002991 LBFGSLineSearch: 10 01:03:15 -95.241680 0.004000 LBFGSLineSearch: 11 01:03:16 -95.241682 0.002792 LBFGSLineSearch: 12 01:03:16 -95.241684 0.000741 LBFGSLineSearch: 13 01:03:17 -95.241684 0.000384 LBFGSLineSearch: 14 01:03:17 -95.241684 0.000289 LBFGSLineSearch: 15 01:03:18 -95.241684 0.000111 LBFGSLineSearch: 16 01:03:18 -95.241684 0.000061 LBFGSLineSearch: 17 01:03:19 -95.241684 0.000030 LBFGSLineSearch: 18 01:03:19 -95.241684 0.000053 LBFGSLineSearch: 19 01:03:20 -95.241684 0.000006 Minimization converged after 19 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:03:28 -95.721948 0.034310 LBFGSLineSearch: 1 01:03:28 -95.721975 0.055431 LBFGSLineSearch: 2 01:03:29 -95.722198 0.116141 LBFGSLineSearch: 3 01:03:30 -95.722300 0.049691 LBFGSLineSearch: 4 01:03:31 -95.722328 0.011709 LBFGSLineSearch: 5 01:03:31 -95.722377 0.017267 LBFGSLineSearch: 6 01:03:32 -95.722387 0.004152 LBFGSLineSearch: 7 01:03:32 -95.722388 0.004619 LBFGSLineSearch: 8 01:03:33 -95.722394 0.003359 LBFGSLineSearch: 9 01:03:34 -95.722397 0.008454 LBFGSLineSearch: 10 01:03:34 -95.722399 0.004627 LBFGSLineSearch: 11 01:03:35 -95.722401 0.003669 LBFGSLineSearch: 12 01:03:36 -95.722401 0.001238 LBFGSLineSearch: 13 01:03:36 -95.722401 0.000393 LBFGSLineSearch: 14 01:03:37 -95.722401 0.000291 LBFGSLineSearch: 15 01:03:37 -95.722401 0.000420 LBFGSLineSearch: 16 01:03:39 -95.722401 0.000051 LBFGSLineSearch: 17 01:03:39 -95.722401 0.000027 LBFGSLineSearch: 18 01:03:41 -95.722401 0.000061 LBFGSLineSearch: 19 01:03:43 -95.722401 0.000005 Minimization converged after 19 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:03:51 -96.203576 0.034374 LBFGSLineSearch: 1 01:03:52 -96.203603 0.055957 LBFGSLineSearch: 2 01:03:52 -96.203828 0.118483 LBFGSLineSearch: 3 01:03:52 -96.203934 0.046026 LBFGSLineSearch: 4 01:03:53 -96.203964 0.011604 LBFGSLineSearch: 5 01:03:53 -96.204008 0.034687 LBFGSLineSearch: 6 01:03:53 -96.204023 0.007388 LBFGSLineSearch: 7 01:03:54 -96.204024 0.004302 LBFGSLineSearch: 8 01:03:54 -96.204027 0.010050 LBFGSLineSearch: 9 01:03:54 -96.204032 0.004709 LBFGSLineSearch: 10 01:03:55 -96.204036 0.004845 LBFGSLineSearch: 11 01:03:55 -96.204037 0.003673 LBFGSLineSearch: 12 01:03:55 -96.204039 0.001774 LBFGSLineSearch: 13 01:03:56 -96.204039 0.002132 LBFGSLineSearch: 14 01:03:56 -96.204039 0.000225 LBFGSLineSearch: 15 01:03:57 -96.204039 0.000560 LBFGSLineSearch: 16 01:03:57 -96.204039 0.000726 LBFGSLineSearch: 17 01:03:59 -96.204039 0.000344 LBFGSLineSearch: 18 01:04:00 -96.204039 0.000041 LBFGSLineSearch: 19 01:04:00 -96.204039 0.000019 LBFGSLineSearch: 20 01:04:01 -96.204039 0.000007 Minimization converged after 20 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:04:10 -96.686144 0.034441 LBFGSLineSearch: 1 01:04:10 -96.686171 0.053755 LBFGSLineSearch: 2 01:04:11 -96.686406 0.113984 LBFGSLineSearch: 3 01:04:12 -96.686498 0.051534 LBFGSLineSearch: 4 01:04:12 -96.686539 0.011861 LBFGSLineSearch: 5 01:04:13 -96.686583 0.023071 LBFGSLineSearch: 6 01:04:14 -96.686599 0.007801 LBFGSLineSearch: 7 01:04:15 -96.686601 0.004223 LBFGSLineSearch: 8 01:04:16 -96.686604 0.006947 LBFGSLineSearch: 9 01:04:16 -96.686613 0.008673 LBFGSLineSearch: 10 01:04:17 -96.686615 0.003093 LBFGSLineSearch: 11 01:04:18 -96.686617 0.003092 LBFGSLineSearch: 12 01:04:19 -96.686619 0.006984 LBFGSLineSearch: 13 01:04:20 -96.686621 0.001623 LBFGSLineSearch: 14 01:04:20 -96.686622 0.001800 LBFGSLineSearch: 15 01:04:21 -96.686624 0.004454 LBFGSLineSearch: 16 01:04:21 -96.686629 0.002473 LBFGSLineSearch: 17 01:04:22 -96.686631 0.005061 LBFGSLineSearch: 18 01:04:22 -96.686643 0.003569 LBFGSLineSearch: 19 01:04:23 -96.686652 0.009914 LBFGSLineSearch: 20 01:04:24 -96.686656 0.005205 LBFGSLineSearch: 21 01:04:24 -96.686657 0.002095 LBFGSLineSearch: 22 01:04:25 -96.686658 0.004253 LBFGSLineSearch: 23 01:04:25 -96.686661 0.001363 LBFGSLineSearch: 24 01:04:25 -96.686663 0.002053 LBFGSLineSearch: 25 01:04:26 -96.686663 0.001258 LBFGSLineSearch: 26 01:04:26 -96.686664 0.000280 LBFGSLineSearch: 27 01:04:27 -96.686664 0.000257 LBFGSLineSearch: 28 01:04:27 -96.686664 0.000031 LBFGSLineSearch: 29 01:04:27 -96.686664 0.000013 LBFGSLineSearch: 30 01:04:28 -96.686664 0.000000 Minimization converged after 30 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:04:36 -97.169950 0.034520 LBFGSLineSearch: 1 01:04:36 -97.169978 0.052470 LBFGSLineSearch: 2 01:04:37 -97.170217 0.113399 LBFGSLineSearch: 3 01:04:37 -97.170304 0.057602 LBFGSLineSearch: 4 01:04:38 -97.170354 0.012371 LBFGSLineSearch: 5 01:04:38 -97.170402 0.018848 LBFGSLineSearch: 6 01:04:38 -97.170418 0.006678 LBFGSLineSearch: 7 01:04:39 -97.170421 0.005148 LBFGSLineSearch: 8 01:04:39 -97.170425 0.009003 LBFGSLineSearch: 9 01:04:40 -97.170443 0.007938 LBFGSLineSearch: 10 01:04:40 -97.170452 0.004925 LBFGSLineSearch: 11 01:04:41 -97.170457 0.008815 LBFGSLineSearch: 12 01:04:42 -97.170465 0.005928 LBFGSLineSearch: 13 01:04:42 -97.170471 0.003805 LBFGSLineSearch: 14 01:04:45 -97.170479 0.011978 LBFGSLineSearch: 15 01:04:47 -97.170579 0.016884 LBFGSLineSearch: 16 01:04:48 -97.170776 0.128165 LBFGSLineSearch: 17 01:04:50 -97.440749 1.560563 LBFGSLineSearch: 18 01:04:50 -97.440750 1.562682 LBFGSLineSearch: 19 01:04:51 -97.596182 3.456371 LBFGSLineSearch: 20 01:04:52 -97.634240 3.973550 LBFGSLineSearch: 21 01:04:52 -97.821656 2.394977 LBFGSLineSearch: 22 01:04:54 -98.375378 2.096364 LBFGSLineSearch: 23 01:04:54 -98.512682 1.302361 LBFGSLineSearch: 24 01:04:56 -99.086384 1.054456 LBFGSLineSearch: 25 01:04:57 -99.157573 0.658884 LBFGSLineSearch: 26 01:04:57 -99.264156 0.524464 LBFGSLineSearch: 27 01:04:57 -99.292854 0.544647 LBFGSLineSearch: 28 01:04:58 -99.338765 0.415318 LBFGSLineSearch: 29 01:05:00 -99.430031 0.525549 LBFGSLineSearch: 30 01:05:01 -99.430377 0.468410 LBFGSLineSearch: 31 01:05:02 -99.433243 0.421485 LBFGSLineSearch: 32 01:05:02 -99.462182 0.323166 LBFGSLineSearch: 33 01:05:03 -99.469210 0.351596 LBFGSLineSearch: 34 01:05:03 -99.473053 0.333100 LBFGSLineSearch: 35 01:05:04 -99.480744 0.285439 LBFGSLineSearch: 36 01:05:05 -99.492823 0.223192 LBFGSLineSearch: 37 01:05:05 -99.495533 0.198908 LBFGSLineSearch: 38 01:05:06 -99.497911 0.166032 LBFGSLineSearch: 39 01:05:06 -99.499980 0.119178 LBFGSLineSearch: 40 01:05:06 -99.501225 0.169614 LBFGSLineSearch: 41 01:05:06 -99.502207 0.095857 LBFGSLineSearch: 42 01:05:07 -99.503061 0.141377 LBFGSLineSearch: 43 01:05:07 -99.503471 0.132957 LBFGSLineSearch: 44 01:05:08 -99.510790 0.323204 LBFGSLineSearch: 45 01:05:08 -99.517826 0.226745 LBFGSLineSearch: 46 01:05:09 -99.519905 0.099636 LBFGSLineSearch: 47 01:05:09 -99.520837 0.149140 LBFGSLineSearch: 48 01:05:09 -99.522400 0.086912 LBFGSLineSearch: 49 01:05:10 -99.522809 0.098167 LBFGSLineSearch: 50 01:05:10 -99.523982 0.108353 LBFGSLineSearch: 51 01:05:11 -99.524183 0.076784 LBFGSLineSearch: 52 01:05:12 -99.524378 0.090676 LBFGSLineSearch: 53 01:05:12 -99.526511 0.095310 LBFGSLineSearch: 54 01:05:13 -99.528740 0.069138 LBFGSLineSearch: 55 01:05:14 -99.529177 0.048731 LBFGSLineSearch: 56 01:05:14 -99.529198 0.047152 LBFGSLineSearch: 57 01:05:15 -99.529285 0.023432 LBFGSLineSearch: 58 01:05:16 -99.529290 0.027659 LBFGSLineSearch: 59 01:05:17 -99.529304 0.029832 LBFGSLineSearch: 60 01:05:18 -99.529336 0.022707 LBFGSLineSearch: 61 01:05:19 -99.529533 0.037580 LBFGSLineSearch: 62 01:05:20 -99.529704 0.018288 LBFGSLineSearch: 63 01:05:20 -99.529731 0.009773 LBFGSLineSearch: 64 01:05:21 -99.529742 0.020440 LBFGSLineSearch: 65 01:05:21 -99.529793 0.013401 LBFGSLineSearch: 66 01:05:21 -99.529803 0.008889 LBFGSLineSearch: 67 01:05:22 -99.529806 0.007597 LBFGSLineSearch: 68 01:05:22 -99.529808 0.008943 LBFGSLineSearch: 69 01:05:23 -99.529823 0.013777 LBFGSLineSearch: 70 01:05:23 -99.529855 0.000436 LBFGSLineSearch: 71 01:05:23 -99.529855 0.000033 LBFGSLineSearch: 72 01:05:25 -99.529855 0.000004 Minimization converged after 72 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:05:33 -100.073785 0.038852 LBFGSLineSearch: 1 01:05:34 -100.073826 0.038344 LBFGSLineSearch: 2 01:05:35 -100.073908 0.068418 LBFGSLineSearch: 3 01:05:37 -100.074199 0.062427 LBFGSLineSearch: 4 01:05:38 -100.074421 0.058179 LBFGSLineSearch: 5 01:05:38 -100.074508 0.029302 LBFGSLineSearch: 6 01:05:39 -100.074529 0.022780 LBFGSLineSearch: 7 01:05:40 -100.074618 0.035438 LBFGSLineSearch: 8 01:05:40 -100.074667 0.041257 LBFGSLineSearch: 9 01:05:41 -100.074706 0.061494 LBFGSLineSearch: 10 01:05:41 -100.074780 0.043188 LBFGSLineSearch: 11 01:05:42 -100.074918 0.028563 LBFGSLineSearch: 12 01:05:42 -100.074943 0.006673 LBFGSLineSearch: 13 01:05:43 -100.074952 0.014522 LBFGSLineSearch: 14 01:05:43 -100.074972 0.006091 LBFGSLineSearch: 15 01:05:44 -100.074982 0.006503 LBFGSLineSearch: 16 01:05:44 -100.074993 0.006518 LBFGSLineSearch: 17 01:05:44 -100.075000 0.004393 LBFGSLineSearch: 18 01:05:45 -100.075006 0.003006 LBFGSLineSearch: 19 01:05:45 -100.075012 0.003684 LBFGSLineSearch: 20 01:05:46 -100.075014 0.002108 LBFGSLineSearch: 21 01:05:46 -100.075016 0.003652 LBFGSLineSearch: 22 01:05:47 -100.075025 0.001532 LBFGSLineSearch: 23 01:05:48 -100.075026 0.002079 LBFGSLineSearch: 24 01:05:48 -100.075027 0.001182 LBFGSLineSearch: 25 01:05:49 -100.075027 0.005421 LBFGSLineSearch: 26 01:05:49 -100.075029 0.000438 LBFGSLineSearch: 27 01:05:50 -100.075029 0.000011 LBFGSLineSearch: 28 01:05:50 -100.075029 0.000000 Minimization converged after 28 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:05:58 -100.621456 0.039031 LBFGSLineSearch: 1 01:05:59 -100.621532 0.038155 LBFGSLineSearch: 2 01:05:59 -100.621812 0.041119 LBFGSLineSearch: 3 01:06:00 -100.622019 0.054915 LBFGSLineSearch: 4 01:06:00 -100.622152 0.040593 LBFGSLineSearch: 5 01:06:01 -100.622186 0.031076 LBFGSLineSearch: 6 01:06:02 -100.622207 0.016014 LBFGSLineSearch: 7 01:06:03 -100.622251 0.058645 LBFGSLineSearch: 8 01:06:03 -100.622296 0.039786 LBFGSLineSearch: 9 01:06:04 -100.622356 0.024928 LBFGSLineSearch: 10 01:06:05 -100.622391 0.018525 LBFGSLineSearch: 11 01:06:06 -100.622442 0.080419 LBFGSLineSearch: 12 01:06:07 -100.622575 0.039817 LBFGSLineSearch: 13 01:06:07 -100.622628 0.025937 LBFGSLineSearch: 14 01:06:07 -100.622641 0.021561 LBFGSLineSearch: 15 01:06:08 -100.622652 0.009734 LBFGSLineSearch: 16 01:06:08 -100.622666 0.031907 LBFGSLineSearch: 17 01:06:09 -100.622676 0.018967 LBFGSLineSearch: 18 01:06:09 -100.622682 0.006376 LBFGSLineSearch: 19 01:06:09 -100.622689 0.007911 LBFGSLineSearch: 20 01:06:10 -100.622707 0.002913 LBFGSLineSearch: 21 01:06:10 -100.622708 0.002963 LBFGSLineSearch: 22 01:06:10 -100.622710 0.003935 LBFGSLineSearch: 23 01:06:11 -100.622715 0.002727 LBFGSLineSearch: 24 01:06:11 -100.622717 0.003194 LBFGSLineSearch: 25 01:06:11 -100.622721 0.003447 LBFGSLineSearch: 26 01:06:12 -100.622724 0.005159 LBFGSLineSearch: 27 01:06:13 -100.622730 0.001267 LBFGSLineSearch: 28 01:06:13 -100.622730 0.002386 LBFGSLineSearch: 29 01:06:14 -100.622731 0.002414 LBFGSLineSearch: 30 01:06:14 -100.622731 0.001455 LBFGSLineSearch: 31 01:06:15 -100.622732 0.000796 LBFGSLineSearch: 32 01:06:15 -100.622732 0.002428 LBFGSLineSearch: 33 01:06:16 -100.622733 0.000021 LBFGSLineSearch: 34 01:06:17 -100.622733 0.000000 Minimization converged after 34 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:06:25 -101.171727 0.039214 LBFGSLineSearch: 1 01:06:26 -101.171818 0.042773 LBFGSLineSearch: 2 01:06:26 -101.172107 0.043446 LBFGSLineSearch: 3 01:06:27 -101.172303 0.059029 LBFGSLineSearch: 4 01:06:28 -101.172352 0.030130 LBFGSLineSearch: 5 01:06:28 -101.172404 0.020695 LBFGSLineSearch: 6 01:06:29 -101.172531 0.038491 LBFGSLineSearch: 7 01:06:30 -101.172542 0.034853 LBFGSLineSearch: 8 01:06:30 -101.172612 0.018273 LBFGSLineSearch: 9 01:06:31 -101.172623 0.049566 LBFGSLineSearch: 10 01:06:32 -101.172783 0.024267 LBFGSLineSearch: 11 01:06:32 -101.172877 0.018854 LBFGSLineSearch: 12 01:06:33 -101.172907 0.015177 LBFGSLineSearch: 13 01:06:33 -101.172954 0.007114 LBFGSLineSearch: 14 01:06:34 -101.172969 0.011426 LBFGSLineSearch: 15 01:06:34 -101.172980 0.021693 LBFGSLineSearch: 16 01:06:35 -101.172985 0.009289 LBFGSLineSearch: 17 01:06:35 -101.172992 0.011007 LBFGSLineSearch: 18 01:06:36 -101.173009 0.010783 LBFGSLineSearch: 19 01:06:36 -101.173013 0.010878 LBFGSLineSearch: 20 01:06:37 -101.173017 0.008843 LBFGSLineSearch: 21 01:06:37 -101.173018 0.006396 LBFGSLineSearch: 22 01:06:38 -101.173021 0.007138 LBFGSLineSearch: 23 01:06:38 -101.173024 0.011553 LBFGSLineSearch: 24 01:06:38 -101.173025 0.002460 LBFGSLineSearch: 25 01:06:38 -101.173032 0.021246 LBFGSLineSearch: 26 01:06:39 -101.173037 0.008354 LBFGSLineSearch: 27 01:06:39 -101.173039 0.002606 LBFGSLineSearch: 28 01:06:40 -101.173040 0.005210 LBFGSLineSearch: 29 01:06:41 -101.173040 0.001373 LBFGSLineSearch: 30 01:06:41 -101.173042 0.000922 LBFGSLineSearch: 31 01:06:42 -101.173042 0.000443 LBFGSLineSearch: 32 01:06:43 -101.173043 0.000604 LBFGSLineSearch: 33 01:06:45 -101.173043 0.000178 LBFGSLineSearch: 34 01:06:47 -101.173043 0.000024 LBFGSLineSearch: 35 01:06:48 -101.173043 0.000000 Minimization converged after 35 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:06:58 -101.724682 0.039403 LBFGSLineSearch: 1 01:06:59 -101.724773 0.079809 LBFGSLineSearch: 2 01:07:00 -101.725109 0.027754 LBFGSLineSearch: 3 01:07:00 -101.725318 0.034604 LBFGSLineSearch: 4 01:07:01 -101.725392 0.037583 LBFGSLineSearch: 5 01:07:01 -101.725442 0.015915 LBFGSLineSearch: 6 01:07:01 -101.725499 0.036061 LBFGSLineSearch: 7 01:07:02 -101.725612 0.012813 LBFGSLineSearch: 8 01:07:02 -101.725675 0.021632 LBFGSLineSearch: 9 01:07:03 -101.725792 0.028642 LBFGSLineSearch: 10 01:07:04 -101.725844 0.012192 LBFGSLineSearch: 11 01:07:04 -101.725900 0.008629 LBFGSLineSearch: 12 01:07:05 -101.725923 0.008038 LBFGSLineSearch: 13 01:07:05 -101.725944 0.012033 LBFGSLineSearch: 14 01:07:06 -101.725971 0.005395 LBFGSLineSearch: 15 01:07:07 -101.726001 0.004703 LBFGSLineSearch: 16 01:07:07 -101.726009 0.003680 LBFGSLineSearch: 17 01:07:08 -101.726019 0.004113 LBFGSLineSearch: 18 01:07:09 -101.726022 0.002983 LBFGSLineSearch: 19 01:07:10 -101.726023 0.002871 LBFGSLineSearch: 20 01:07:10 -101.726023 0.002946 LBFGSLineSearch: 21 01:07:11 -101.726023 0.002970 LBFGSLineSearch: 22 01:07:11 -101.726025 0.021495 LBFGSLineSearch: 23 01:07:12 -101.726030 0.007597 LBFGSLineSearch: 24 01:07:12 -101.726038 0.000861 LBFGSLineSearch: 25 01:07:14 -101.726039 0.001102 LBFGSLineSearch: 26 01:07:15 -101.726039 0.001538 LBFGSLineSearch: 27 01:07:15 -101.726040 0.005824 LBFGSLineSearch: 28 01:07:16 -101.726041 0.000931 LBFGSLineSearch: 29 01:07:16 -101.726041 0.000996 LBFGSLineSearch: 30 01:07:16 -101.726042 0.000694 LBFGSLineSearch: 31 01:07:17 -101.726042 0.000450 LBFGSLineSearch: 32 01:07:17 -101.726042 0.000313 LBFGSLineSearch: 33 01:07:17 -101.726042 0.000254 LBFGSLineSearch: 34 01:07:18 -101.726042 0.000237 LBFGSLineSearch: 35 01:07:18 -101.726042 0.000265 LBFGSLineSearch: 36 01:07:20 -101.726042 0.000442 LBFGSLineSearch: 37 01:07:21 -101.726042 0.000172 LBFGSLineSearch: 38 01:07:21 -101.726042 0.000001 Minimization converged after 38 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:28 -102.280437 0.039600 LBFGSLineSearch: 1 01:07:29 -102.280566 0.068052 LBFGSLineSearch: 2 01:07:30 -102.281186 0.061448 LBFGSLineSearch: 3 01:07:30 -102.281379 0.044774 LBFGSLineSearch: 4 01:07:31 -102.281463 0.040523 LBFGSLineSearch: 5 01:07:32 -102.281543 0.023813 LBFGSLineSearch: 6 01:07:32 -102.281754 0.010704 LBFGSLineSearch: 7 01:07:33 -102.281803 0.016361 LBFGSLineSearch: 8 01:07:33 -102.281985 0.007963 LBFGSLineSearch: 9 01:07:33 -102.282024 0.009223 LBFGSLineSearch: 10 01:07:34 -102.282046 0.007810 LBFGSLineSearch: 11 01:07:35 -102.282065 0.006087 LBFGSLineSearch: 12 01:07:35 -102.282095 0.005446 LBFGSLineSearch: 13 01:07:36 -102.282119 0.008396 LBFGSLineSearch: 14 01:07:36 -102.282139 0.004990 LBFGSLineSearch: 15 01:07:37 -102.282170 0.008234 LBFGSLineSearch: 16 01:07:38 -102.282176 0.002871 LBFGSLineSearch: 17 01:07:38 -102.282177 0.004742 LBFGSLineSearch: 18 01:07:39 -102.282192 0.002037 LBFGSLineSearch: 19 01:07:40 -102.282194 0.002525 LBFGSLineSearch: 20 01:07:41 -102.282196 0.002058 LBFGSLineSearch: 21 01:07:41 -102.282196 0.001094 LBFGSLineSearch: 22 01:07:42 -102.282196 0.001860 LBFGSLineSearch: 23 01:07:44 -102.282200 0.001735 LBFGSLineSearch: 24 01:07:44 -102.282200 0.000449 LBFGSLineSearch: 25 01:07:44 -102.282200 0.000361 LBFGSLineSearch: 26 01:07:45 -102.282201 0.000398 LBFGSLineSearch: 27 01:07:46 -102.282201 0.000077 LBFGSLineSearch: 28 01:07:46 -102.282201 0.000002 Minimization converged after 28 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:56 -102.840147 0.039853 LBFGSLineSearch: 1 01:07:56 -102.840274 0.068246 LBFGSLineSearch: 2 01:07:57 -102.840914 0.069578 LBFGSLineSearch: 3 01:07:57 -102.841143 0.040849 LBFGSLineSearch: 4 01:07:58 -102.841223 0.023951 LBFGSLineSearch: 5 01:07:58 -102.841380 0.024172 LBFGSLineSearch: 6 01:07:58 -102.841501 0.019052 LBFGSLineSearch: 7 01:07:59 -102.841552 0.018026 LBFGSLineSearch: 8 01:08:00 -102.841717 0.018437 LBFGSLineSearch: 9 01:08:01 -102.841784 0.010061 LBFGSLineSearch: 10 01:08:02 -102.841804 0.016833 LBFGSLineSearch: 11 01:08:02 -102.841833 0.006758 LBFGSLineSearch: 12 01:08:02 -102.841849 0.008797 LBFGSLineSearch: 13 01:08:04 -102.841873 0.005412 LBFGSLineSearch: 14 01:08:06 -102.841904 0.013021 LBFGSLineSearch: 15 01:08:06 -102.841917 0.006287 LBFGSLineSearch: 16 01:08:07 -102.841922 0.004508 LBFGSLineSearch: 17 01:08:07 -102.841932 0.013154 LBFGSLineSearch: 18 01:08:08 -102.841958 0.002708 LBFGSLineSearch: 19 01:08:08 -102.841960 0.004764 LBFGSLineSearch: 20 01:08:09 -102.841971 0.002276 LBFGSLineSearch: 21 01:08:09 -102.841974 0.002057 LBFGSLineSearch: 22 01:08:10 -102.841975 0.002275 LBFGSLineSearch: 23 01:08:10 -102.841978 0.001131 LBFGSLineSearch: 24 01:08:11 -102.841978 0.001108 LBFGSLineSearch: 25 01:08:12 -102.841979 0.001054 LBFGSLineSearch: 26 01:08:13 -102.841983 0.000405 LBFGSLineSearch: 27 01:08:13 -102.841983 0.000410 LBFGSLineSearch: 28 01:08:14 -102.841983 0.000320 LBFGSLineSearch: 29 01:08:15 -102.841983 0.000135 LBFGSLineSearch: 30 01:08:16 -102.841983 0.000000 Minimization converged after 30 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:24 -103.403629 0.040118 LBFGSLineSearch: 1 01:08:24 -103.403755 0.068485 LBFGSLineSearch: 2 01:08:25 -103.404418 0.077810 LBFGSLineSearch: 3 01:08:26 -103.404687 0.036064 LBFGSLineSearch: 4 01:08:26 -103.404749 0.021188 LBFGSLineSearch: 5 01:08:27 -103.404887 0.034753 LBFGSLineSearch: 6 01:08:28 -103.405050 0.019252 LBFGSLineSearch: 7 01:08:29 -103.405112 0.025997 LBFGSLineSearch: 8 01:08:31 -103.405311 0.012152 LBFGSLineSearch: 9 01:08:33 -103.405335 0.009619 LBFGSLineSearch: 10 01:08:33 -103.405357 0.013774 LBFGSLineSearch: 11 01:08:34 -103.405391 0.007770 LBFGSLineSearch: 12 01:08:34 -103.405429 0.007194 LBFGSLineSearch: 13 01:08:35 -103.405457 0.016614 LBFGSLineSearch: 14 01:08:36 -103.405480 0.005471 LBFGSLineSearch: 15 01:08:37 -103.405517 0.010125 LBFGSLineSearch: 16 01:08:37 -103.405523 0.003587 LBFGSLineSearch: 17 01:08:38 -103.405525 0.006631 LBFGSLineSearch: 18 01:08:39 -103.405539 0.002379 LBFGSLineSearch: 19 01:08:39 -103.405544 0.007147 LBFGSLineSearch: 20 01:08:40 -103.405547 0.002789 LBFGSLineSearch: 21 01:08:40 -103.405547 0.001203 LBFGSLineSearch: 22 01:08:42 -103.405548 0.002854 LBFGSLineSearch: 23 01:08:43 -103.405551 0.001315 LBFGSLineSearch: 24 01:08:43 -103.405552 0.000477 LBFGSLineSearch: 25 01:08:44 -103.405553 0.000413 LBFGSLineSearch: 26 01:08:44 -103.405553 0.000068 LBFGSLineSearch: 27 01:08:45 -103.405553 0.000005 Minimization converged after 27 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:54 -103.971081 0.040399 LBFGSLineSearch: 1 01:08:54 -103.971206 0.068761 LBFGSLineSearch: 2 01:08:55 -103.971898 0.086299 LBFGSLineSearch: 3 01:08:56 -103.972208 0.031547 LBFGSLineSearch: 4 01:08:56 -103.972254 0.019275 LBFGSLineSearch: 5 01:08:57 -103.972365 0.043728 LBFGSLineSearch: 6 01:08:58 -103.972569 0.012576 LBFGSLineSearch: 7 01:08:58 -103.972607 0.010893 LBFGSLineSearch: 8 01:08:59 -103.972718 0.026825 LBFGSLineSearch: 9 01:09:00 -103.972737 0.010314 LBFGSLineSearch: 10 01:09:00 -103.972752 0.011932 LBFGSLineSearch: 11 01:09:01 -103.972813 0.011331 LBFGSLineSearch: 12 01:09:02 -103.972841 0.017016 LBFGSLineSearch: 13 01:09:03 -103.972930 0.007608 LBFGSLineSearch: 14 01:09:03 -103.972947 0.009125 LBFGSLineSearch: 15 01:09:04 -103.972972 0.003433 LBFGSLineSearch: 16 01:09:04 -103.972975 0.003149 LBFGSLineSearch: 17 01:09:05 -103.972988 0.002523 LBFGSLineSearch: 18 01:09:05 -103.972994 0.001915 LBFGSLineSearch: 19 01:09:05 -103.972995 0.002269 LBFGSLineSearch: 20 01:09:06 -103.973001 0.002140 LBFGSLineSearch: 21 01:09:06 -103.973002 0.001357 LBFGSLineSearch: 22 01:09:06 -103.973003 0.002103 LBFGSLineSearch: 23 01:09:06 -103.973006 0.000928 LBFGSLineSearch: 24 01:09:07 -103.973006 0.001054 LBFGSLineSearch: 25 01:09:07 -103.973007 0.000300 LBFGSLineSearch: 26 01:09:08 -103.973007 0.000416 LBFGSLineSearch: 27 01:09:08 -103.973007 0.000648 LBFGSLineSearch: 28 01:09:09 -103.973007 0.000015 LBFGSLineSearch: 29 01:09:10 -103.973007 0.000001 Minimization converged after 29 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:17 -104.542198 0.040657 LBFGSLineSearch: 1 01:09:18 -104.542321 0.068522 LBFGSLineSearch: 2 01:09:19 -104.542954 0.104323 LBFGSLineSearch: 3 01:09:20 -104.543236 0.018858 LBFGSLineSearch: 4 01:09:20 -104.543253 0.014397 LBFGSLineSearch: 5 01:09:21 -104.543295 0.020976 LBFGSLineSearch: 6 01:09:21 -104.543402 0.012567 LBFGSLineSearch: 7 01:09:22 -104.543439 0.025603 LBFGSLineSearch: 8 01:09:23 -104.543504 0.024386 LBFGSLineSearch: 9 01:09:23 -104.543549 0.017006 LBFGSLineSearch: 10 01:09:24 -104.543654 0.010314 LBFGSLineSearch: 11 01:09:24 -104.543670 0.006627 LBFGSLineSearch: 12 01:09:25 -104.543690 0.015092 LBFGSLineSearch: 13 01:09:26 -104.543757 0.003183 LBFGSLineSearch: 14 01:09:26 -104.543760 0.003201 LBFGSLineSearch: 15 01:09:27 -104.543762 0.003358 LBFGSLineSearch: 16 01:09:28 -104.543769 0.003849 LBFGSLineSearch: 17 01:09:28 -104.543781 0.002387 LBFGSLineSearch: 18 01:09:29 -104.543783 0.002506 LBFGSLineSearch: 19 01:09:31 -104.543790 0.001857 LBFGSLineSearch: 20 01:09:31 -104.543791 0.001900 LBFGSLineSearch: 21 01:09:32 -104.543797 0.002320 LBFGSLineSearch: 22 01:09:33 -104.543799 0.002859 LBFGSLineSearch: 23 01:09:33 -104.543801 0.001470 LBFGSLineSearch: 24 01:09:34 -104.543801 0.000436 LBFGSLineSearch: 25 01:09:34 -104.543801 0.000481 LBFGSLineSearch: 26 01:09:35 -104.543801 0.000017 LBFGSLineSearch: 27 01:09:35 -104.543801 0.000000 Minimization converged after 27 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:44 -105.116213 0.040887 LBFGSLineSearch: 1 01:09:44 -105.116334 0.068221 LBFGSLineSearch: 2 01:09:45 -105.116927 0.115681 LBFGSLineSearch: 3 01:09:45 -105.117221 0.024813 LBFGSLineSearch: 4 01:09:46 -105.117257 0.020845 LBFGSLineSearch: 5 01:09:46 -105.117306 0.022965 LBFGSLineSearch: 6 01:09:47 -105.117377 0.015219 LBFGSLineSearch: 7 01:09:48 -105.117426 0.026640 LBFGSLineSearch: 8 01:09:48 -105.117499 0.012026 LBFGSLineSearch: 9 01:09:49 -105.117644 0.027871 LBFGSLineSearch: 10 01:09:50 -105.117691 0.011656 LBFGSLineSearch: 11 01:09:50 -105.117705 0.008533 LBFGSLineSearch: 12 01:09:51 -105.117733 0.024283 LBFGSLineSearch: 13 01:09:53 -105.117814 0.007188 LBFGSLineSearch: 14 01:09:54 -105.117827 0.011265 LBFGSLineSearch: 15 01:09:54 -105.117843 0.004756 LBFGSLineSearch: 16 01:09:55 -105.117850 0.003559 LBFGSLineSearch: 17 01:09:56 -105.117854 0.003270 LBFGSLineSearch: 18 01:09:58 -105.117857 0.004143 LBFGSLineSearch: 19 01:10:00 -105.117872 0.003738 LBFGSLineSearch: 20 01:10:01 -105.117873 0.002053 LBFGSLineSearch: 21 01:10:01 -105.117875 0.003571 LBFGSLineSearch: 22 01:10:02 -105.117881 0.001680 LBFGSLineSearch: 23 01:10:03 -105.117884 0.006624 LBFGSLineSearch: 24 01:10:04 -105.117891 0.000428 LBFGSLineSearch: 25 01:10:04 -105.117891 0.000522 LBFGSLineSearch: 26 01:10:05 -105.117891 0.000646 LBFGSLineSearch: 27 01:10:06 -105.117891 0.000021 LBFGSLineSearch: 28 01:10:06 -105.117891 0.000000 Minimization converged after 28 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:14 -105.693700 0.041129 LBFGSLineSearch: 1 01:10:15 -105.693819 0.068170 LBFGSLineSearch: 2 01:10:16 -105.694394 0.125116 LBFGSLineSearch: 3 01:10:16 -105.694718 0.028274 LBFGSLineSearch: 4 01:10:17 -105.694811 0.024474 LBFGSLineSearch: 5 01:10:17 -105.694853 0.019866 LBFGSLineSearch: 6 01:10:18 -105.694890 0.030559 LBFGSLineSearch: 7 01:10:18 -105.694929 0.017026 LBFGSLineSearch: 8 01:10:19 -105.694994 0.035748 LBFGSLineSearch: 9 01:10:19 -105.695073 0.013469 LBFGSLineSearch: 10 01:10:20 -105.695222 0.036392 LBFGSLineSearch: 11 01:10:20 -105.695277 0.013937 LBFGSLineSearch: 12 01:10:21 -105.695293 0.010090 LBFGSLineSearch: 13 01:10:21 -105.695320 0.025457 LBFGSLineSearch: 14 01:10:22 -105.695409 0.007563 LBFGSLineSearch: 15 01:10:22 -105.695425 0.010254 LBFGSLineSearch: 16 01:10:23 -105.695464 0.006021 LBFGSLineSearch: 17 01:10:23 -105.695471 0.006396 LBFGSLineSearch: 18 01:10:23 -105.695484 0.003379 LBFGSLineSearch: 19 01:10:24 -105.695498 0.008530 LBFGSLineSearch: 20 01:10:24 -105.695504 0.004263 LBFGSLineSearch: 21 01:10:25 -105.695506 0.002984 LBFGSLineSearch: 22 01:10:26 -105.695509 0.005992 LBFGSLineSearch: 23 01:10:26 -105.695517 0.002034 LBFGSLineSearch: 24 01:10:27 -105.695525 0.005805 LBFGSLineSearch: 25 01:10:28 -105.695529 0.002349 LBFGSLineSearch: 26 01:10:28 -105.695530 0.000580 LBFGSLineSearch: 27 01:10:29 -105.695530 0.000757 LBFGSLineSearch: 28 01:10:29 -105.695530 0.000637 LBFGSLineSearch: 29 01:10:30 -105.695530 0.000096 LBFGSLineSearch: 30 01:10:30 -105.695530 0.000001 Minimization converged after 30 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:39 -106.275077 0.041397 LBFGSLineSearch: 1 01:10:40 -106.275194 0.068312 LBFGSLineSearch: 2 01:10:40 -106.275763 0.134088 LBFGSLineSearch: 3 01:10:41 -106.276124 0.030671 LBFGSLineSearch: 4 01:10:42 -106.276200 0.032135 LBFGSLineSearch: 5 01:10:43 -106.276266 0.034136 LBFGSLineSearch: 6 01:10:43 -106.276321 0.015707 LBFGSLineSearch: 7 01:10:44 -106.276383 0.031688 LBFGSLineSearch: 8 01:10:45 -106.276545 0.013495 LBFGSLineSearch: 9 01:10:46 -106.276579 0.012761 LBFGSLineSearch: 10 01:10:48 -106.276630 0.017399 LBFGSLineSearch: 11 01:10:50 -106.276793 0.009567 LBFGSLineSearch: 12 01:10:50 -106.276808 0.008716 LBFGSLineSearch: 13 01:10:51 -106.276837 0.013723 LBFGSLineSearch: 14 01:10:52 -106.276896 0.007578 LBFGSLineSearch: 15 01:10:52 -106.276914 0.012426 LBFGSLineSearch: 16 01:10:53 -106.276943 0.010656 LBFGSLineSearch: 17 01:10:53 -106.276950 0.004673 LBFGSLineSearch: 18 01:10:54 -106.276954 0.005078 LBFGSLineSearch: 19 01:10:55 -106.276957 0.004694 LBFGSLineSearch: 20 01:10:55 -106.276960 0.003241 LBFGSLineSearch: 21 01:10:56 -106.276961 0.002288 LBFGSLineSearch: 22 01:10:56 -106.276962 0.003391 LBFGSLineSearch: 23 01:10:57 -106.276965 0.001384 LBFGSLineSearch: 24 01:10:58 -106.276965 0.001496 LBFGSLineSearch: 25 01:10:59 -106.276966 0.000949 LBFGSLineSearch: 26 01:11:01 -106.276967 0.000255 LBFGSLineSearch: 27 01:11:02 -106.276967 0.000184 LBFGSLineSearch: 28 01:11:02 -106.276967 0.000166 LBFGSLineSearch: 29 01:11:03 -106.276967 0.000134 LBFGSLineSearch: 30 01:11:03 -106.276967 0.000033 LBFGSLineSearch: 31 01:11:03 -106.276967 0.000013 LBFGSLineSearch: 32 01:11:04 -106.276967 0.000012 LBFGSLineSearch: 33 01:11:06 -106.276967 0.000001 Minimization converged after 33 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:16 -106.860148 0.041656 LBFGSLineSearch: 1 01:11:16 -106.860262 0.067680 LBFGSLineSearch: 2 01:11:16 -106.860816 0.138354 LBFGSLineSearch: 3 01:11:17 -106.861177 0.031655 LBFGSLineSearch: 4 01:11:17 -106.861269 0.038867 LBFGSLineSearch: 5 01:11:18 -106.861359 0.027927 LBFGSLineSearch: 6 01:11:18 -106.861398 0.012463 LBFGSLineSearch: 7 01:11:19 -106.861457 0.030647 LBFGSLineSearch: 8 01:11:19 -106.861589 0.009625 LBFGSLineSearch: 9 01:11:20 -106.861674 0.031164 LBFGSLineSearch: 10 01:11:20 -106.861769 0.011403 LBFGSLineSearch: 11 01:11:20 -106.861803 0.010804 LBFGSLineSearch: 12 01:11:21 -106.861823 0.006362 LBFGSLineSearch: 13 01:11:21 -106.861828 0.003720 LBFGSLineSearch: 14 01:11:22 -106.861833 0.008943 LBFGSLineSearch: 15 01:11:23 -106.861844 0.004922 LBFGSLineSearch: 16 01:11:23 -106.861853 0.003067 LBFGSLineSearch: 17 01:11:24 -106.861858 0.002191 LBFGSLineSearch: 18 01:11:25 -106.861858 0.002004 LBFGSLineSearch: 19 01:11:25 -106.861860 0.002759 LBFGSLineSearch: 20 01:11:26 -106.861867 0.001466 LBFGSLineSearch: 21 01:11:27 -106.861867 0.001493 LBFGSLineSearch: 22 01:11:28 -106.861869 0.000536 LBFGSLineSearch: 23 01:11:30 -106.861869 0.000472 LBFGSLineSearch: 24 01:11:31 -106.861869 0.000500 LBFGSLineSearch: 25 01:11:33 -106.861869 0.000093 LBFGSLineSearch: 26 01:11:34 -106.861869 0.000031 LBFGSLineSearch: 27 01:11:35 -106.861869 0.000030 LBFGSLineSearch: 28 01:11:36 -106.861869 0.000001 Minimization converged after 28 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:45 -107.448538 0.041905 LBFGSLineSearch: 1 01:11:46 -107.448649 0.067070 LBFGSLineSearch: 2 01:11:47 -107.449200 0.142669 LBFGSLineSearch: 3 01:11:48 -107.449576 0.039011 LBFGSLineSearch: 4 01:11:48 -107.449697 0.042982 LBFGSLineSearch: 5 01:11:49 -107.449793 0.031158 LBFGSLineSearch: 6 01:11:49 -107.449841 0.013727 LBFGSLineSearch: 7 01:11:51 -107.449906 0.032613 LBFGSLineSearch: 8 01:11:51 -107.450075 0.010976 LBFGSLineSearch: 9 01:11:52 -107.450221 0.047247 LBFGSLineSearch: 10 01:11:52 -107.450342 0.014065 LBFGSLineSearch: 11 01:11:53 -107.450418 0.014531 LBFGSLineSearch: 12 01:11:53 -107.450429 0.004774 LBFGSLineSearch: 13 01:11:54 -107.450432 0.006367 LBFGSLineSearch: 14 01:11:54 -107.450440 0.003542 LBFGSLineSearch: 15 01:11:55 -107.450446 0.006222 LBFGSLineSearch: 16 01:11:55 -107.450453 0.002263 LBFGSLineSearch: 17 01:11:56 -107.450457 0.003638 LBFGSLineSearch: 18 01:11:56 -107.450462 0.002894 LBFGSLineSearch: 19 01:11:56 -107.450463 0.001862 LBFGSLineSearch: 20 01:11:57 -107.450464 0.001807 LBFGSLineSearch: 21 01:11:57 -107.450465 0.000352 LBFGSLineSearch: 22 01:11:58 -107.450465 0.000272 LBFGSLineSearch: 23 01:11:58 -107.450465 0.000370 LBFGSLineSearch: 24 01:11:58 -107.450465 0.000045 LBFGSLineSearch: 25 01:11:59 -107.450465 0.000033 LBFGSLineSearch: 26 01:12:00 -107.450465 0.000014 LBFGSLineSearch: 27 01:12:00 -107.450465 0.000001 Minimization converged after 27 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:09 -108.041118 0.042190 LBFGSLineSearch: 1 01:12:10 -108.041228 0.066663 LBFGSLineSearch: 2 01:12:11 -108.041787 0.147590 LBFGSLineSearch: 3 01:12:12 -108.042182 0.046466 LBFGSLineSearch: 4 01:12:13 -108.042339 0.047318 LBFGSLineSearch: 5 01:12:14 -108.042467 0.022243 LBFGSLineSearch: 6 01:12:15 -108.042537 0.031768 LBFGSLineSearch: 7 01:12:16 -108.042777 0.015144 LBFGSLineSearch: 8 01:12:16 -108.042839 0.016760 LBFGSLineSearch: 9 01:12:17 -108.042954 0.025911 LBFGSLineSearch: 10 01:12:19 -108.043292 0.022454 LBFGSLineSearch: 11 01:12:22 -108.043451 0.022989 LBFGSLineSearch: 12 01:12:24 -108.043687 0.014777 LBFGSLineSearch: 13 01:12:26 -108.043739 0.011992 LBFGSLineSearch: 14 01:12:27 -108.043773 0.010874 LBFGSLineSearch: 15 01:12:29 -108.043785 0.011971 LBFGSLineSearch: 16 01:12:29 -108.043812 0.008545 LBFGSLineSearch: 17 01:12:29 -108.043822 0.006073 LBFGSLineSearch: 18 01:12:30 -108.043843 0.007706 LBFGSLineSearch: 19 01:12:31 -108.057607 0.330090 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 19 steps. Final forces: [[ 1.19825963e-01 -6.13041156e-02 -1.71653611e-02] [-1.19825963e-01 -6.13041156e-02 1.71653611e-02] [-1.19825963e-01 6.13041156e-02 1.71653611e-02] [ 1.19825963e-01 6.13041156e-02 -1.71653611e-02] [ 8.16040399e-17 3.26937585e-01 -3.67649297e-17] [ 1.50369694e-17 -3.26937585e-01 2.18419501e-17] [ 3.84786124e-02 -6.32031799e-02 -1.63453995e-01] [-3.84786124e-02 -6.32031799e-02 1.63453995e-01] [-3.84786124e-02 6.32031799e-02 1.63453995e-01] [ 3.84786124e-02 6.32031799e-02 -1.63453995e-01] [-9.96807012e-02 -1.35846570e-01 1.04601364e-01] [ 9.96807012e-02 -1.35846570e-01 -1.04601364e-01] [ 9.96807012e-02 1.35846570e-01 -1.04601364e-01] [-9.96807012e-02 1.35846570e-01 1.04601364e-01]] Final stress: [ 2.16468670e-01 2.21103028e-01 2.18966127e-01 2.09825379e-16 -2.23218350e-03 -1.31116234e-16] Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:40 -108.668871 0.326938 LBFGSLineSearch: 1 01:12:40 -108.672011 0.289103 LBFGSLineSearch: 2 01:12:41 -108.676365 0.208549 LBFGSLineSearch: 3 01:12:42 -108.682761 0.466828 LBFGSLineSearch: 4 01:12:42 -108.684102 0.569465 LBFGSLineSearch: 5 01:12:43 -108.701810 0.390843 LBFGSLineSearch: 6 01:12:43 -108.765606 2.151696 LBFGSLineSearch: 7 01:12:44 -112.568735 3.009972 LBFGSLineSearch: 8 01:12:44 -112.579632 3.186108 LBFGSLineSearch: 9 01:12:45 -113.362747 4.123538 LBFGSLineSearch: 10 01:12:45 -113.821769 1.942840 LBFGSLineSearch: 11 01:12:45 -114.558581 2.181297 LBFGSLineSearch: 12 01:12:46 -115.034001 2.405863 LBFGSLineSearch: 13 01:12:47 -115.393370 2.066240 LBFGSLineSearch: 14 01:12:47 -115.553092 3.661842 LBFGSLineSearch: 15 01:12:47 -115.749407 1.424216 LBFGSLineSearch: 16 01:12:48 -115.986908 2.570628 LBFGSLineSearch: 17 01:12:49 -116.136919 2.921046 LBFGSLineSearch: 18 01:12:49 -116.332480 4.165570 LBFGSLineSearch: 19 01:12:49 -116.619099 4.166360 LBFGSLineSearch: 20 01:12:50 -116.758968 1.347652 LBFGSLineSearch: 21 01:12:51 -116.913870 1.565525 LBFGSLineSearch: 22 01:12:51 -117.057965 2.123757 LBFGSLineSearch: 23 01:12:52 -117.195060 1.614401 LBFGSLineSearch: 24 01:12:53 -117.395050 1.197727 LBFGSLineSearch: 25 01:12:54 -117.521495 1.134126 LBFGSLineSearch: 26 01:12:56 -117.643347 2.006581 LBFGSLineSearch: 27 01:12:57 -117.768208 1.320713 LBFGSLineSearch: 28 01:12:58 -117.956975 1.772803 LBFGSLineSearch: 29 01:12:59 -118.134133 0.862595 LBFGSLineSearch: 30 01:12:59 -118.213681 0.920558 LBFGSLineSearch: 31 01:13:00 -119.124006 1.546378 LBFGSLineSearch: 32 01:13:02 -119.128173 1.338180 LBFGSLineSearch: 33 01:13:02 -119.296235 1.595620 LBFGSLineSearch: 34 01:13:03 -119.555250 0.995106 LBFGSLineSearch: 35 01:13:04 -119.735354 1.316523 LBFGSLineSearch: 36 01:13:05 -119.768793 2.534987 LBFGSLineSearch: 37 01:13:05 -119.859860 1.198949 LBFGSLineSearch: 38 01:13:06 -120.271407 2.548910 LBFGSLineSearch: 39 01:13:06 -120.483309 2.716771 LBFGSLineSearch: 40 01:13:06 -120.553930 5.472319 LBFGSLineSearch: 41 01:13:07 -120.702070 1.339885 LBFGSLineSearch: 42 01:13:07 -120.746522 2.827106 LBFGSLineSearch: 43 01:13:07 -120.786193 1.967125 LBFGSLineSearch: 44 01:13:08 -120.815505 0.469702 LBFGSLineSearch: 45 01:13:08 -120.827844 0.607538 LBFGSLineSearch: 46 01:13:08 -120.849040 1.213003 LBFGSLineSearch: 47 01:13:09 -121.106764 3.984527 LBFGSLineSearch: 48 01:13:09 -121.830416 7.155919 LBFGSLineSearch: 49 01:13:10 -121.908989 8.330841 LBFGSLineSearch: 50 01:13:10 -122.599503 6.024513 LBFGSLineSearch: 51 01:13:11 -123.485132 3.511772 LBFGSLineSearch: 52 01:13:11 -123.758887 4.201948 LBFGSLineSearch: 53 01:13:11 -123.968142 6.811102 LBFGSLineSearch: 54 01:13:12 -124.216582 2.929657 LBFGSLineSearch: 55 01:13:12 -124.396157 2.863916 LBFGSLineSearch: 56 01:13:13 -124.991118 5.042473 LBFGSLineSearch: 57 01:13:13 -125.397047 3.538758 LBFGSLineSearch: 58 01:13:14 -125.603616 1.434926 LBFGSLineSearch: 59 01:13:15 -125.794618 1.885623 LBFGSLineSearch: 60 01:13:15 -125.856006 1.365539 LBFGSLineSearch: 61 01:13:16 -125.918734 1.490527 LBFGSLineSearch: 62 01:13:17 -126.007855 1.995421 LBFGSLineSearch: 63 01:13:17 -126.062926 1.528000 LBFGSLineSearch: 64 01:13:19 -126.121682 1.233433 LBFGSLineSearch: 65 01:13:20 -126.362894 2.420074 LBFGSLineSearch: 66 01:13:20 -126.368767 2.539811 LBFGSLineSearch: 67 01:13:21 -126.443417 2.647338 LBFGSLineSearch: 68 01:13:21 -126.561079 1.594346 LBFGSLineSearch: 69 01:13:22 -126.703963 1.548163 LBFGSLineSearch: 70 01:13:25 -127.290319 2.662446 LBFGSLineSearch: 71 01:13:26 -127.446984 1.846907 LBFGSLineSearch: 72 01:13:26 -127.575164 1.321713 LBFGSLineSearch: 73 01:13:26 -127.677423 2.139956 LBFGSLineSearch: 74 01:13:27 -127.784428 1.243089 LBFGSLineSearch: 75 01:13:27 -127.944986 1.228464 LBFGSLineSearch: 76 01:13:28 -128.031088 0.700650 LBFGSLineSearch: 77 01:13:29 -128.075844 0.537876 LBFGSLineSearch: 78 01:13:31 -128.108922 0.502802 LBFGSLineSearch: 79 01:13:34 -128.118480 0.337343 LBFGSLineSearch: 80 01:13:36 -128.131039 0.368368 LBFGSLineSearch: 81 01:13:37 -128.134168 0.260317 LBFGSLineSearch: 82 01:13:38 -128.137373 0.307927 LBFGSLineSearch: 83 01:13:38 -128.144053 0.262558 LBFGSLineSearch: 84 01:13:39 -128.150185 0.528782 LBFGSLineSearch: 85 01:13:39 -128.159400 0.192740 LBFGSLineSearch: 86 01:13:40 -128.160111 0.173485 LBFGSLineSearch: 87 01:13:41 -128.160682 0.149969 LBFGSLineSearch: 88 01:13:43 -128.162878 0.149161 LBFGSLineSearch: 89 01:13:45 -128.163878 0.196961 LBFGSLineSearch: 90 01:13:46 -128.164251 0.117848 LBFGSLineSearch: 91 01:13:48 -128.164461 0.116241 LBFGSLineSearch: 92 01:13:49 -128.165076 0.254556 LBFGSLineSearch: 93 01:13:51 -128.171718 0.144416 LBFGSLineSearch: 94 01:13:52 -128.172923 0.053602 LBFGSLineSearch: 95 01:13:53 -128.172989 0.009483 LBFGSLineSearch: 96 01:13:53 -128.172994 0.001518 LBFGSLineSearch: 97 01:13:54 -128.172994 0.000256 LBFGSLineSearch: 98 01:13:55 -128.172994 0.000028 LBFGSLineSearch: 99 01:13:56 -128.172994 0.000014 LBFGSLineSearch: 100 01:13:57 -128.172994 0.000001 Minimization converged after 100 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:06 -129.218253 0.074662 LBFGSLineSearch: 1 01:14:06 -129.218395 0.040516 LBFGSLineSearch: 2 01:14:07 -129.218502 0.063125 LBFGSLineSearch: 3 01:14:07 -129.218548 0.065288 LBFGSLineSearch: 4 01:14:07 -129.218705 0.039956 LBFGSLineSearch: 5 01:14:08 -129.218827 0.032640 LBFGSLineSearch: 6 01:14:08 -129.218864 0.030514 LBFGSLineSearch: 7 01:14:08 -129.218913 0.011352 LBFGSLineSearch: 8 01:14:09 -129.218935 0.011060 LBFGSLineSearch: 9 01:14:09 -129.218962 0.015176 LBFGSLineSearch: 10 01:14:10 -129.218985 0.007803 LBFGSLineSearch: 11 01:14:10 -129.218996 0.004981 LBFGSLineSearch: 12 01:14:11 -129.218997 0.002483 LBFGSLineSearch: 13 01:14:11 -129.218998 0.005275 LBFGSLineSearch: 14 01:14:12 -129.219001 0.001077 LBFGSLineSearch: 15 01:14:14 -129.219001 0.000538 LBFGSLineSearch: 16 01:14:16 -129.219001 0.000359 LBFGSLineSearch: 17 01:14:17 -129.219001 0.000281 LBFGSLineSearch: 18 01:14:18 -129.219001 0.000404 LBFGSLineSearch: 19 01:14:19 -129.219001 0.000099 LBFGSLineSearch: 20 01:14:20 -129.219001 0.000021 LBFGSLineSearch: 21 01:14:21 -129.219001 0.000017 LBFGSLineSearch: 22 01:14:22 -129.219001 0.000000 Minimization converged after 22 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:30 -130.265772 0.074769 LBFGSLineSearch: 1 01:14:31 -130.265913 0.041047 LBFGSLineSearch: 2 01:14:32 -130.266022 0.061497 LBFGSLineSearch: 3 01:14:35 -130.266070 0.068789 LBFGSLineSearch: 4 01:14:38 -130.266236 0.041020 LBFGSLineSearch: 5 01:14:39 -130.266369 0.035852 LBFGSLineSearch: 6 01:14:41 -130.266413 0.032366 LBFGSLineSearch: 7 01:14:41 -130.266470 0.012915 LBFGSLineSearch: 8 01:14:41 -130.266496 0.012111 LBFGSLineSearch: 9 01:14:42 -130.266525 0.016028 LBFGSLineSearch: 10 01:14:42 -130.266552 0.008878 LBFGSLineSearch: 11 01:14:43 -130.266564 0.004713 LBFGSLineSearch: 12 01:14:43 -130.266566 0.002442 LBFGSLineSearch: 13 01:14:43 -130.266567 0.004582 LBFGSLineSearch: 14 01:14:44 -130.266570 0.001491 LBFGSLineSearch: 15 01:14:45 -130.266570 0.000750 LBFGSLineSearch: 16 01:14:46 -130.266570 0.000266 LBFGSLineSearch: 17 01:14:47 -130.266570 0.000749 LBFGSLineSearch: 18 01:14:47 -130.266570 0.000283 LBFGSLineSearch: 19 01:14:47 -130.266570 0.000021 LBFGSLineSearch: 20 01:14:48 -130.266570 0.000026 LBFGSLineSearch: 21 01:14:48 -130.266570 0.000001 Minimization converged after 21 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:58 -131.314957 0.074885 LBFGSLineSearch: 1 01:14:59 -131.315098 0.041563 LBFGSLineSearch: 2 01:14:59 -131.315208 0.061033 LBFGSLineSearch: 3 01:15:01 -131.315257 0.072616 LBFGSLineSearch: 4 01:15:02 -131.315435 0.042279 LBFGSLineSearch: 5 01:15:03 -131.315581 0.039606 LBFGSLineSearch: 6 01:15:04 -131.315635 0.034893 LBFGSLineSearch: 7 01:15:05 -131.315704 0.014728 LBFGSLineSearch: 8 01:15:05 -131.315736 0.013453 LBFGSLineSearch: 9 01:15:06 -131.315769 0.017030 LBFGSLineSearch: 10 01:15:07 -131.315798 0.010113 LBFGSLineSearch: 11 01:15:07 -131.315814 0.004649 LBFGSLineSearch: 12 01:15:08 -131.315816 0.002465 LBFGSLineSearch: 13 01:15:09 -131.315817 0.003492 LBFGSLineSearch: 14 01:15:10 -131.315820 0.002044 LBFGSLineSearch: 15 01:15:11 -131.315820 0.000723 LBFGSLineSearch: 16 01:15:11 -131.315820 0.000350 LBFGSLineSearch: 17 01:15:12 -131.315820 0.000573 LBFGSLineSearch: 18 01:15:13 -131.315821 0.000091 LBFGSLineSearch: 19 01:15:14 -131.315821 0.000021 LBFGSLineSearch: 20 01:15:14 -131.315821 0.000049 LBFGSLineSearch: 21 01:15:16 -131.315821 0.000000 Minimization converged after 21 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:15:26 -132.365961 0.075010 LBFGSLineSearch: 1 01:15:26 -132.366101 0.042062 LBFGSLineSearch: 2 01:15:26 -132.366212 0.061798 LBFGSLineSearch: 3 01:15:27 -132.366264 0.076872 LBFGSLineSearch: 4 01:15:27 -132.366453 0.043805 LBFGSLineSearch: 5 01:15:28 -132.366619 0.044114 LBFGSLineSearch: 6 01:15:29 -132.366685 0.038450 LBFGSLineSearch: 7 01:15:30 -132.366774 0.017019 LBFGSLineSearch: 8 01:15:31 -132.366815 0.015291 LBFGSLineSearch: 9 01:15:32 -132.366852 0.018381 LBFGSLineSearch: 10 01:15:33 -132.366886 0.011591 LBFGSLineSearch: 11 01:15:34 -132.366906 0.004878 LBFGSLineSearch: 12 01:15:35 -132.366910 0.002619 LBFGSLineSearch: 13 01:15:35 -132.366911 0.002441 LBFGSLineSearch: 14 01:15:36 -132.366913 0.002244 LBFGSLineSearch: 15 01:15:37 -132.366914 0.000606 LBFGSLineSearch: 16 01:15:39 -132.366914 0.000397 LBFGSLineSearch: 17 01:15:40 -132.366914 0.000490 LBFGSLineSearch: 18 01:15:40 -132.366914 0.000128 LBFGSLineSearch: 19 01:15:40 -132.366914 0.000020 LBFGSLineSearch: 20 01:15:41 -132.366914 0.000017 LBFGSLineSearch: 21 01:15:43 -132.366914 0.000000 Minimization converged after 21 steps. Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:15:52 -133.419000 0.075149 LBFGSLineSearch: 1 01:15:53 -133.419140 0.042541 LBFGSLineSearch: 2 01:15:53 -133.419254 0.062571 LBFGSLineSearch: 3 01:15:54 -133.419308 0.081810 LBFGSLineSearch: 4 01:15:55 -133.419512 0.045758 LBFGSLineSearch: 5 01:15:55 -133.419705 0.049789 LBFGSLineSearch: 6 01:15:56 -133.419791 0.043724 LBFGSLineSearch: 7 01:15:56 -133.419911 0.020237 LBFGSLineSearch: 8 01:15:57 -133.419967 0.018071 LBFGSLineSearch: 9 01:15:57 -133.420013 0.020489 LBFGSLineSearch: 10 01:15:58 -133.420053 0.013542 LBFGSLineSearch: 11 01:15:59 -133.420081 0.005585 LBFGSLineSearch: 12 01:16:00 -133.420087 0.003118 LBFGSLineSearch: 13 01:16:02 -133.420088 0.001713 LBFGSLineSearch: 14 01:16:03 -133.420090 0.001976 LBFGSLineSearch: 15 01:16:05 -133.420091 0.001768 LBFGSLineSearch: 16 01:16:05 -133.420092 0.000994 LBFGSLineSearch: 17 01:16:06 -133.420092 0.000479 LBFGSLineSearch: 18 01:16:08 -133.420092 0.000364 LBFGSLineSearch: 19 01:16:10 -133.420092 0.000521 LBFGSLineSearch: 20 01:16:13 -133.420092 0.000035 LBFGSLineSearch: 21 01:16:15 -133.420092 0.000018 LBFGSLineSearch: 22 01:16:19 -133.420092 0.000017 LBFGSLineSearch: 23 01:16:21 -133.420092 0.000008 Minimization converged after 23 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:16:32 -134.474426 0.075315 LBFGSLineSearch: 1 01:16:35 -134.474565 0.042993 LBFGSLineSearch: 2 01:16:37 -134.474682 0.063360 LBFGSLineSearch: 3 01:16:40 -134.474739 0.087807 LBFGSLineSearch: 4 01:16:41 -134.474960 0.048415 LBFGSLineSearch: 5 01:16:44 -134.475199 0.057534 LBFGSLineSearch: 6 01:16:47 -134.475318 0.052447 LBFGSLineSearch: 7 01:16:49 -134.475499 0.025527 LBFGSLineSearch: 8 01:16:51 -134.475587 0.023063 LBFGSLineSearch: 9 01:16:54 -134.475654 0.024570 LBFGSLineSearch: 10 01:16:57 -134.475708 0.016806 LBFGSLineSearch: 11 01:17:01 -134.475747 0.007578 LBFGSLineSearch: 12 01:17:03 -134.475761 0.004554 LBFGSLineSearch: 13 01:17:05 -134.475763 0.002634 LBFGSLineSearch: 14 01:17:06 -134.475764 0.002935 LBFGSLineSearch: 15 01:17:10 -134.475768 0.002193 LBFGSLineSearch: 16 01:17:12 -134.475768 0.000513 LBFGSLineSearch: 17 01:17:16 -134.475768 0.000401 LBFGSLineSearch: 18 01:17:19 -134.475769 0.000202 LBFGSLineSearch: 19 01:17:21 -134.475769 0.000016 LBFGSLineSearch: 20 01:17:23 -134.475769 0.000031 LBFGSLineSearch: 21 01:17:26 -134.475769 0.000003 Minimization converged after 21 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:17:36 -135.532928 0.075515 LBFGSLineSearch: 1 01:17:37 -135.533068 0.043410 LBFGSLineSearch: 2 01:17:40 -135.533187 0.064194 LBFGSLineSearch: 3 01:17:43 -135.533248 0.095827 LBFGSLineSearch: 4 01:17:46 -135.533494 0.052577 LBFGSLineSearch: 5 01:17:49 -135.533824 0.069850 LBFGSLineSearch: 6 01:17:52 -135.533980 0.114949 LBFGSLineSearch: 7 01:17:55 -135.534367 0.038403 LBFGSLineSearch: 8 01:17:57 -135.534572 0.035978 LBFGSLineSearch: 9 01:17:59 -135.534757 0.045381 LBFGSLineSearch: 10 01:18:01 -135.534872 0.022555 LBFGSLineSearch: 11 01:18:05 -135.534952 0.020257 LBFGSLineSearch: 12 01:18:08 -135.535023 0.011495 LBFGSLineSearch: 13 01:18:11 -135.535040 0.003779 LBFGSLineSearch: 14 01:18:14 -135.535046 0.003001 LBFGSLineSearch: 15 01:18:17 -135.535048 0.002941 LBFGSLineSearch: 16 01:18:20 -135.535054 0.001561 LBFGSLineSearch: 17 01:18:23 -135.535056 0.000945 LBFGSLineSearch: 18 01:18:25 -135.535057 0.000506 LBFGSLineSearch: 19 01:18:27 -135.535057 0.000347 LBFGSLineSearch: 20 01:18:28 -135.535057 0.000442 LBFGSLineSearch: 21 01:18:31 -135.535057 0.000635 LBFGSLineSearch: 22 01:18:33 -135.535057 0.000041 LBFGSLineSearch: 23 01:18:35 -135.535057 0.000010 LBFGSLineSearch: 24 01:18:37 -135.535057 0.000007 Minimization converged after 24 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:46 -136.597675 0.075908 LBFGSLineSearch: 1 01:18:48 -136.597814 0.043685 LBFGSLineSearch: 2 01:18:50 -136.597941 0.065265 LBFGSLineSearch: 3 01:18:53 -136.598013 0.113703 LBFGSLineSearch: 4 01:18:56 -136.598310 0.064568 LBFGSLineSearch: 5 01:18:58 -136.599090 0.101231 LBFGSLineSearch: 6 01:18:59 -136.600045 0.149995 LBFGSLineSearch: 7 01:19:09 -161.379845 21.113811 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 7 steps. Final forces: [[ 1.25931825e+01 -5.95078932e+00 8.27509440e+00] [-1.25931825e+01 -5.95078932e+00 -8.27509440e+00] [-1.25931825e+01 5.95078932e+00 -8.27509440e+00] [ 1.25931825e+01 5.95078932e+00 8.27509440e+00] [-9.71613298e-17 -1.46760251e+00 -8.85087439e-17] [ 9.71613298e-17 1.46760251e+00 8.85087439e-17] [-1.23104704e+01 5.87988916e+00 -7.34236793e+00] [ 1.23104704e+01 5.87988916e+00 7.34236793e+00] [ 1.23104704e+01 -5.87988916e+00 7.34236793e+00] [-1.23104704e+01 -5.87988916e+00 -7.34236793e+00] [-3.78209125e-01 3.09708287e-01 1.12342827e+00] [ 3.78209125e-01 3.09708287e-01 -1.12342827e+00] [ 3.78209125e-01 -3.09708287e-01 -1.12342827e+00] [-3.78209125e-01 -3.09708287e-01 1.12342827e+00]] Final stress: [-1.01642586e-01 1.21616868e-02 9.86511534e-04 -8.70614566e-17 -1.01490376e-01 -9.50910712e-17] Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:18 -162.959616 16.201152 LBFGSLineSearch: 1 01:19:19 -170.527937 10.466052 Failed to get energy or crystal structure at pressure -39.0 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') NOTE: The configuration you provided has a maximum force component 0.004225063403345997 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. NOTE: The configuration you provided has a maximum stress component 6.210042440491432e-05 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:31 -72.330230 0.030988 LBFGSLineSearch: 1 01:19:31 -72.330306 0.030063 LBFGSLineSearch: 2 01:19:32 -72.330390 0.027952 LBFGSLineSearch: 3 01:19:32 -72.330435 0.015506 LBFGSLineSearch: 4 01:19:33 -72.330449 0.007074 LBFGSLineSearch: 5 01:19:33 -72.330463 0.010536 LBFGSLineSearch: 6 01:19:34 -72.330475 0.008106 LBFGSLineSearch: 7 01:19:34 -72.330482 0.005567 LBFGSLineSearch: 8 01:19:34 -72.330488 0.005774 LBFGSLineSearch: 9 01:19:35 -72.330495 0.005426 LBFGSLineSearch: 10 01:19:37 -72.330501 0.003517 LBFGSLineSearch: 11 01:19:39 -72.330503 0.004126 LBFGSLineSearch: 12 01:19:41 -72.330506 0.002078 LBFGSLineSearch: 13 01:19:42 -72.330507 0.002606 LBFGSLineSearch: 14 01:19:43 -72.330509 0.001522 LBFGSLineSearch: 15 01:19:44 -72.330509 0.001174 LBFGSLineSearch: 16 01:19:45 -72.330510 0.000844 LBFGSLineSearch: 17 01:19:47 -72.330510 0.000807 LBFGSLineSearch: 18 01:19:49 -72.330510 0.000362 LBFGSLineSearch: 19 01:19:51 -72.330510 0.000327 LBFGSLineSearch: 20 01:19:54 -72.330510 0.000294 LBFGSLineSearch: 21 01:19:57 -72.330510 0.000124 LBFGSLineSearch: 22 01:19:57 -72.330510 0.000066 LBFGSLineSearch: 23 01:19:58 -72.330510 0.000038 LBFGSLineSearch: 24 01:19:58 -72.330510 0.000000 Minimization converged after 24 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:05 -72.278488 0.003716 LBFGSLineSearch: 1 01:20:06 -72.278489 0.004773 LBFGSLineSearch: 2 01:20:06 -72.278490 0.004484 LBFGSLineSearch: 3 01:20:06 -72.278491 0.002542 LBFGSLineSearch: 4 01:20:07 -72.278491 0.000933 LBFGSLineSearch: 5 01:20:07 -72.278491 0.001297 LBFGSLineSearch: 6 01:20:09 -72.278491 0.001203 LBFGSLineSearch: 7 01:20:09 -72.278491 0.000888 LBFGSLineSearch: 8 01:20:10 -72.278491 0.001068 LBFGSLineSearch: 9 01:20:11 -72.278492 0.000559 LBFGSLineSearch: 10 01:20:12 -72.278492 0.000365 LBFGSLineSearch: 11 01:20:12 -72.278492 0.000295 LBFGSLineSearch: 12 01:20:13 -72.278492 0.000354 LBFGSLineSearch: 13 01:20:13 -72.278492 0.000265 LBFGSLineSearch: 14 01:20:14 -72.278492 0.000194 LBFGSLineSearch: 15 01:20:15 -72.278492 0.000148 LBFGSLineSearch: 16 01:20:15 -72.278492 0.000081 LBFGSLineSearch: 17 01:20:16 -72.278492 0.000104 LBFGSLineSearch: 18 01:20:17 -72.278492 0.000041 LBFGSLineSearch: 19 01:20:18 -72.278492 0.000043 LBFGSLineSearch: 20 01:20:19 -72.278492 0.000007 Minimization converged after 20 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:28 -72.220108 0.004173 LBFGSLineSearch: 1 01:20:29 -72.220110 0.005360 LBFGSLineSearch: 2 01:20:30 -72.220111 0.005005 LBFGSLineSearch: 3 01:20:31 -72.220112 0.002850 LBFGSLineSearch: 4 01:20:31 -72.220112 0.001047 LBFGSLineSearch: 5 01:20:32 -72.220112 0.001455 LBFGSLineSearch: 6 01:20:33 -72.220113 0.001350 LBFGSLineSearch: 7 01:20:34 -72.220113 0.000996 LBFGSLineSearch: 8 01:20:34 -72.220113 0.001194 LBFGSLineSearch: 9 01:20:35 -72.220113 0.000628 LBFGSLineSearch: 10 01:20:36 -72.220113 0.000420 LBFGSLineSearch: 11 01:20:37 -72.220113 0.000333 LBFGSLineSearch: 12 01:20:39 -72.220113 0.000383 LBFGSLineSearch: 13 01:20:41 -72.220113 0.000299 LBFGSLineSearch: 14 01:20:43 -72.220113 0.000226 LBFGSLineSearch: 15 01:20:45 -72.220113 0.000165 LBFGSLineSearch: 16 01:20:46 -72.220114 0.000101 LBFGSLineSearch: 17 01:20:47 -72.220114 0.000104 LBFGSLineSearch: 18 01:20:48 -72.220114 0.000133 LBFGSLineSearch: 19 01:20:49 -72.220114 0.000042 LBFGSLineSearch: 20 01:20:50 -72.220114 0.000043 LBFGSLineSearch: 21 01:20:51 -72.220114 0.000007 Minimization converged after 21 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:59 -72.154592 0.004682 LBFGSLineSearch: 1 01:21:00 -72.154594 0.006024 LBFGSLineSearch: 2 01:21:01 -72.154596 0.005577 LBFGSLineSearch: 3 01:21:01 -72.154597 0.003182 LBFGSLineSearch: 4 01:21:01 -72.154597 0.001174 LBFGSLineSearch: 5 01:21:02 -72.154597 0.001636 LBFGSLineSearch: 6 01:21:03 -72.154598 0.001530 LBFGSLineSearch: 7 01:21:03 -72.154598 0.001131 LBFGSLineSearch: 8 01:21:04 -72.154598 0.001342 LBFGSLineSearch: 9 01:21:05 -72.154598 0.000696 LBFGSLineSearch: 10 01:21:05 -72.154599 0.000483 LBFGSLineSearch: 11 01:21:06 -72.154599 0.000406 LBFGSLineSearch: 12 01:21:07 -72.154599 0.000406 LBFGSLineSearch: 13 01:21:09 -72.154599 0.000336 LBFGSLineSearch: 14 01:21:10 -72.154599 0.000247 LBFGSLineSearch: 15 01:21:10 -72.154599 0.000351 LBFGSLineSearch: 16 01:21:11 -72.154599 0.000110 LBFGSLineSearch: 17 01:21:12 -72.154599 0.000127 LBFGSLineSearch: 18 01:21:12 -72.154599 0.000064 LBFGSLineSearch: 19 01:21:13 -72.154599 0.000061 LBFGSLineSearch: 20 01:21:14 -72.154599 0.000041 LBFGSLineSearch: 21 01:21:16 -72.154599 0.000007 Minimization converged after 21 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:26 -72.081068 0.005253 LBFGSLineSearch: 1 01:21:27 -72.081071 0.006759 LBFGSLineSearch: 2 01:21:27 -72.081073 0.006213 LBFGSLineSearch: 3 01:21:28 -72.081075 0.003578 LBFGSLineSearch: 4 01:21:28 -72.081075 0.001316 LBFGSLineSearch: 5 01:21:29 -72.081075 0.001835 LBFGSLineSearch: 6 01:21:29 -72.081076 0.001724 LBFGSLineSearch: 7 01:21:30 -72.081076 0.001275 LBFGSLineSearch: 8 01:21:31 -72.081076 0.001499 LBFGSLineSearch: 9 01:21:31 -72.081076 0.000781 LBFGSLineSearch: 10 01:21:32 -72.081077 0.000546 LBFGSLineSearch: 11 01:21:32 -72.081077 0.000483 LBFGSLineSearch: 12 01:21:32 -72.081077 0.000437 LBFGSLineSearch: 13 01:21:34 -72.081077 0.000361 LBFGSLineSearch: 14 01:21:35 -72.081077 0.000279 LBFGSLineSearch: 15 01:21:36 -72.081077 0.000422 LBFGSLineSearch: 16 01:21:37 -72.081077 0.000137 LBFGSLineSearch: 17 01:21:37 -72.081077 0.000134 LBFGSLineSearch: 18 01:21:38 -72.081077 0.000063 LBFGSLineSearch: 19 01:21:39 -72.081077 0.000015 LBFGSLineSearch: 20 01:21:39 -72.081077 0.000018 LBFGSLineSearch: 21 01:21:40 -72.081077 0.000000 Minimization converged after 21 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:48 -71.998561 0.005894 LBFGSLineSearch: 1 01:21:49 -71.998564 0.007586 LBFGSLineSearch: 2 01:21:49 -71.998567 0.006914 LBFGSLineSearch: 3 01:21:50 -71.998569 0.004010 LBFGSLineSearch: 4 01:21:52 -71.998569 0.001476 LBFGSLineSearch: 5 01:21:54 -71.998570 0.002058 LBFGSLineSearch: 6 01:21:55 -71.998570 0.001938 LBFGSLineSearch: 7 01:21:55 -71.998571 0.001435 LBFGSLineSearch: 8 01:21:55 -71.998571 0.001677 LBFGSLineSearch: 9 01:21:56 -71.998571 0.000879 LBFGSLineSearch: 10 01:21:56 -71.998571 0.000613 LBFGSLineSearch: 11 01:21:57 -71.998571 0.000568 LBFGSLineSearch: 12 01:21:57 -71.998571 0.000469 LBFGSLineSearch: 13 01:21:57 -71.998572 0.000380 LBFGSLineSearch: 14 01:21:58 -71.998572 0.000317 LBFGSLineSearch: 15 01:21:59 -71.998572 0.000495 LBFGSLineSearch: 16 01:22:00 -71.998572 0.000149 LBFGSLineSearch: 17 01:22:02 -71.998572 0.000132 LBFGSLineSearch: 18 01:22:04 -71.998572 0.000069 LBFGSLineSearch: 19 01:22:05 -71.998572 0.000013 LBFGSLineSearch: 20 01:22:06 -71.998572 0.000017 LBFGSLineSearch: 21 01:22:06 -71.998572 0.000000 Minimization converged after 21 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:14 -71.905975 0.006614 LBFGSLineSearch: 1 01:22:15 -71.905978 0.008519 LBFGSLineSearch: 2 01:22:15 -71.905983 0.007685 LBFGSLineSearch: 3 01:22:16 -71.905985 0.004492 LBFGSLineSearch: 4 01:22:16 -71.905985 0.001655 LBFGSLineSearch: 5 01:22:16 -71.905986 0.002308 LBFGSLineSearch: 6 01:22:17 -71.905986 0.002173 LBFGSLineSearch: 7 01:22:17 -71.905987 0.001612 LBFGSLineSearch: 8 01:22:17 -71.905987 0.001876 LBFGSLineSearch: 9 01:22:18 -71.905987 0.000994 LBFGSLineSearch: 10 01:22:18 -71.905988 0.000689 LBFGSLineSearch: 11 01:22:19 -71.905988 0.000660 LBFGSLineSearch: 12 01:22:19 -71.905988 0.000513 LBFGSLineSearch: 13 01:22:20 -71.905988 0.000428 LBFGSLineSearch: 14 01:22:20 -71.905988 0.000333 LBFGSLineSearch: 15 01:22:22 -71.905988 0.000459 LBFGSLineSearch: 16 01:22:23 -71.905988 0.000150 LBFGSLineSearch: 17 01:22:23 -71.905988 0.000177 LBFGSLineSearch: 18 01:22:24 -71.905988 0.000103 LBFGSLineSearch: 19 01:22:24 -71.905988 0.000075 LBFGSLineSearch: 20 01:22:25 -71.905988 0.000070 LBFGSLineSearch: 21 01:22:26 -71.905988 0.000054 LBFGSLineSearch: 22 01:22:26 -71.905988 0.000013 LBFGSLineSearch: 23 01:22:27 -71.905988 0.000010 LBFGSLineSearch: 24 01:22:28 -71.905988 0.000000 Minimization converged after 24 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:37 -71.802082 0.007422 LBFGSLineSearch: 1 01:22:38 -71.802086 0.009568 LBFGSLineSearch: 2 01:22:39 -71.802092 0.008529 LBFGSLineSearch: 3 01:22:39 -71.802094 0.005031 LBFGSLineSearch: 4 01:22:40 -71.802095 0.001854 LBFGSLineSearch: 5 01:22:40 -71.802096 0.002587 LBFGSLineSearch: 6 01:22:41 -71.802097 0.002429 LBFGSLineSearch: 7 01:22:41 -71.802097 0.001804 LBFGSLineSearch: 8 01:22:42 -71.802097 0.002097 LBFGSLineSearch: 9 01:22:43 -71.802098 0.001131 LBFGSLineSearch: 10 01:22:43 -71.802098 0.000775 LBFGSLineSearch: 11 01:22:44 -71.802099 0.000756 LBFGSLineSearch: 12 01:22:45 -71.802099 0.000642 LBFGSLineSearch: 13 01:22:45 -71.802099 0.000484 LBFGSLineSearch: 14 01:22:46 -71.802099 0.000390 LBFGSLineSearch: 15 01:22:47 -71.802099 0.000336 LBFGSLineSearch: 16 01:22:47 -71.802099 0.000189 LBFGSLineSearch: 17 01:22:47 -71.802099 0.000199 LBFGSLineSearch: 18 01:22:48 -71.802099 0.000169 LBFGSLineSearch: 19 01:22:49 -71.802099 0.000088 LBFGSLineSearch: 20 01:22:50 -71.802099 0.000075 LBFGSLineSearch: 21 01:22:51 -71.802099 0.000012 LBFGSLineSearch: 22 01:22:52 -71.802099 0.000001 Minimization converged after 22 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:01 -71.685506 0.008328 LBFGSLineSearch: 1 01:23:03 -71.685512 0.010750 LBFGSLineSearch: 2 01:23:04 -71.685519 0.009451 LBFGSLineSearch: 3 01:23:04 -71.685522 0.005634 LBFGSLineSearch: 4 01:23:04 -71.685523 0.002076 LBFGSLineSearch: 5 01:23:05 -71.685524 0.002899 LBFGSLineSearch: 6 01:23:05 -71.685525 0.002743 LBFGSLineSearch: 7 01:23:05 -71.685526 0.002009 LBFGSLineSearch: 8 01:23:06 -71.685526 0.002344 LBFGSLineSearch: 9 01:23:06 -71.685527 0.001297 LBFGSLineSearch: 10 01:23:07 -71.685527 0.000871 LBFGSLineSearch: 11 01:23:08 -71.685527 0.000856 LBFGSLineSearch: 12 01:23:08 -71.685528 0.000788 LBFGSLineSearch: 13 01:23:09 -71.685528 0.000546 LBFGSLineSearch: 14 01:23:09 -71.685528 0.000461 LBFGSLineSearch: 15 01:23:10 -71.685528 0.000368 LBFGSLineSearch: 16 01:23:10 -71.685528 0.000430 LBFGSLineSearch: 17 01:23:11 -71.685528 0.000191 LBFGSLineSearch: 18 01:23:11 -71.685528 0.000269 LBFGSLineSearch: 19 01:23:12 -71.685528 0.000094 LBFGSLineSearch: 20 01:23:13 -71.685528 0.000034 LBFGSLineSearch: 21 01:23:13 -71.685528 0.000013 LBFGSLineSearch: 22 01:23:14 -71.685528 0.000012 LBFGSLineSearch: 23 01:23:15 -71.685528 0.000000 Minimization converged after 23 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:23 -71.554706 0.009344 LBFGSLineSearch: 1 01:23:23 -71.554713 0.012074 LBFGSLineSearch: 2 01:23:24 -71.554722 0.010453 LBFGSLineSearch: 3 01:23:24 -71.554726 0.006312 LBFGSLineSearch: 4 01:23:25 -71.554727 0.002324 LBFGSLineSearch: 5 01:23:26 -71.554728 0.003246 LBFGSLineSearch: 6 01:23:27 -71.554730 0.003079 LBFGSLineSearch: 7 01:23:28 -71.554730 0.002221 LBFGSLineSearch: 8 01:23:29 -71.554731 0.002614 LBFGSLineSearch: 9 01:23:31 -71.554732 0.001499 LBFGSLineSearch: 10 01:23:32 -71.554732 0.000977 LBFGSLineSearch: 11 01:23:33 -71.554733 0.000960 LBFGSLineSearch: 12 01:23:33 -71.554733 0.000948 LBFGSLineSearch: 13 01:23:34 -71.554733 0.000613 LBFGSLineSearch: 14 01:23:34 -71.554733 0.000536 LBFGSLineSearch: 15 01:23:35 -71.554733 0.000430 LBFGSLineSearch: 16 01:23:36 -71.554733 0.000500 LBFGSLineSearch: 17 01:23:37 -71.554733 0.000209 LBFGSLineSearch: 18 01:23:38 -71.554733 0.000232 LBFGSLineSearch: 19 01:23:39 -71.554733 0.000313 LBFGSLineSearch: 20 01:23:40 -71.554733 0.000093 LBFGSLineSearch: 21 01:23:41 -71.554733 0.000088 LBFGSLineSearch: 22 01:23:41 -71.554733 0.000043 LBFGSLineSearch: 23 01:23:42 -71.554733 0.000012 LBFGSLineSearch: 24 01:23:42 -71.554733 0.000000 Minimization converged after 24 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:51 -71.407952 0.010484 LBFGSLineSearch: 1 01:23:52 -71.407961 0.013568 LBFGSLineSearch: 2 01:23:52 -71.407973 0.011535 LBFGSLineSearch: 3 01:23:54 -71.407978 0.007070 LBFGSLineSearch: 4 01:23:56 -71.407979 0.002600 LBFGSLineSearch: 5 01:23:57 -71.407980 0.003639 LBFGSLineSearch: 6 01:23:57 -71.407982 0.003424 LBFGSLineSearch: 7 01:23:58 -71.407983 0.002457 LBFGSLineSearch: 8 01:23:58 -71.407984 0.002907 LBFGSLineSearch: 9 01:23:59 -71.407985 0.001749 LBFGSLineSearch: 10 01:23:59 -71.407985 0.001092 LBFGSLineSearch: 11 01:24:00 -71.407986 0.001072 LBFGSLineSearch: 12 01:24:00 -71.407986 0.001121 LBFGSLineSearch: 13 01:24:01 -71.407986 0.000685 LBFGSLineSearch: 14 01:24:01 -71.407986 0.000625 LBFGSLineSearch: 15 01:24:01 -71.407986 0.000506 LBFGSLineSearch: 16 01:24:02 -71.407986 0.000586 LBFGSLineSearch: 17 01:24:03 -71.407987 0.000227 LBFGSLineSearch: 18 01:24:03 -71.407987 0.000258 LBFGSLineSearch: 19 01:24:03 -71.407987 0.000365 LBFGSLineSearch: 20 01:24:04 -71.407987 0.000108 LBFGSLineSearch: 21 01:24:04 -71.407987 0.000022 LBFGSLineSearch: 22 01:24:04 -71.407987 0.000013 LBFGSLineSearch: 23 01:24:05 -71.407987 0.000000 Minimization converged after 23 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:12 -71.243308 0.011763 LBFGSLineSearch: 1 01:24:13 -71.243320 0.015253 LBFGSLineSearch: 2 01:24:13 -71.243335 0.012695 LBFGSLineSearch: 3 01:24:14 -71.243341 0.007922 LBFGSLineSearch: 4 01:24:15 -71.243343 0.002907 LBFGSLineSearch: 5 01:24:15 -71.243345 0.004089 LBFGSLineSearch: 6 01:24:16 -71.243347 0.003751 LBFGSLineSearch: 7 01:24:16 -71.243348 0.002683 LBFGSLineSearch: 8 01:24:17 -71.243349 0.003212 LBFGSLineSearch: 9 01:24:17 -71.243350 0.002056 LBFGSLineSearch: 10 01:24:18 -71.243351 0.001228 LBFGSLineSearch: 11 01:24:18 -71.243351 0.001197 LBFGSLineSearch: 12 01:24:19 -71.243351 0.001305 LBFGSLineSearch: 13 01:24:20 -71.243352 0.000757 LBFGSLineSearch: 14 01:24:20 -71.243352 0.000730 LBFGSLineSearch: 15 01:24:21 -71.243352 0.000566 LBFGSLineSearch: 16 01:24:22 -71.243352 0.000768 LBFGSLineSearch: 17 01:24:22 -71.243352 0.000275 LBFGSLineSearch: 18 01:24:22 -71.243352 0.000269 LBFGSLineSearch: 19 01:24:23 -71.243352 0.000310 LBFGSLineSearch: 20 01:24:24 -71.243352 0.000120 LBFGSLineSearch: 21 01:24:24 -71.243352 0.000019 LBFGSLineSearch: 22 01:24:25 -71.243352 0.000017 LBFGSLineSearch: 23 01:24:26 -71.243352 0.000000 Minimization converged after 23 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:33 -71.058606 0.013196 LBFGSLineSearch: 1 01:24:34 -71.058621 0.017154 LBFGSLineSearch: 2 01:24:34 -71.058640 0.013926 LBFGSLineSearch: 3 01:24:35 -71.058648 0.008882 LBFGSLineSearch: 4 01:24:35 -71.058651 0.003246 LBFGSLineSearch: 5 01:24:36 -71.058653 0.004622 LBFGSLineSearch: 6 01:24:36 -71.058656 0.004017 LBFGSLineSearch: 7 01:24:36 -71.058657 0.002998 LBFGSLineSearch: 8 01:24:37 -71.058658 0.002388 LBFGSLineSearch: 9 01:24:38 -71.058659 0.002254 LBFGSLineSearch: 10 01:24:39 -71.058661 0.001589 LBFGSLineSearch: 11 01:24:40 -71.058662 0.001285 LBFGSLineSearch: 12 01:24:40 -71.058662 0.000864 LBFGSLineSearch: 13 01:24:41 -71.058662 0.001055 LBFGSLineSearch: 14 01:24:41 -71.058662 0.000663 LBFGSLineSearch: 15 01:24:42 -71.058662 0.000436 LBFGSLineSearch: 16 01:24:43 -71.058662 0.000294 LBFGSLineSearch: 17 01:24:43 -71.058662 0.000379 LBFGSLineSearch: 18 01:24:44 -71.058662 0.000125 LBFGSLineSearch: 19 01:24:44 -71.058662 0.000149 LBFGSLineSearch: 20 01:24:45 -71.058662 0.000077 LBFGSLineSearch: 21 01:24:45 -71.058662 0.000020 LBFGSLineSearch: 22 01:24:46 -71.058662 0.000017 LBFGSLineSearch: 23 01:24:48 -71.058662 0.000000 Minimization converged after 23 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:55 -70.851419 0.014803 LBFGSLineSearch: 1 01:24:56 -70.851437 0.019305 LBFGSLineSearch: 2 01:24:57 -70.851462 0.015216 LBFGSLineSearch: 3 01:24:57 -70.851472 0.009968 LBFGSLineSearch: 4 01:24:58 -70.851476 0.003620 LBFGSLineSearch: 5 01:24:59 -70.851479 0.005286 LBFGSLineSearch: 6 01:24:59 -70.851482 0.004157 LBFGSLineSearch: 7 01:25:00 -70.851484 0.003498 LBFGSLineSearch: 8 01:25:01 -70.851486 0.002799 LBFGSLineSearch: 9 01:25:01 -70.851487 0.002483 LBFGSLineSearch: 10 01:25:02 -70.851489 0.001798 LBFGSLineSearch: 11 01:25:04 -70.851490 0.001819 LBFGSLineSearch: 12 01:25:05 -70.851490 0.000904 LBFGSLineSearch: 13 01:25:06 -70.851490 0.000959 LBFGSLineSearch: 14 01:25:06 -70.851490 0.001000 LBFGSLineSearch: 15 01:25:07 -70.851491 0.000606 LBFGSLineSearch: 16 01:25:08 -70.851491 0.000330 LBFGSLineSearch: 17 01:25:09 -70.851491 0.000272 LBFGSLineSearch: 18 01:25:09 -70.851491 0.000160 LBFGSLineSearch: 19 01:25:10 -70.851491 0.000180 LBFGSLineSearch: 20 01:25:10 -70.851491 0.000028 LBFGSLineSearch: 21 01:25:11 -70.851491 0.000027 LBFGSLineSearch: 22 01:25:11 -70.851491 0.000000 Minimization converged after 22 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:25:19 -70.619030 0.016604 LBFGSLineSearch: 1 01:25:19 -70.619054 0.021748 LBFGSLineSearch: 2 01:25:20 -70.619086 0.016542 LBFGSLineSearch: 3 01:25:21 -70.619100 0.011212 LBFGSLineSearch: 4 01:25:21 -70.619104 0.004032 LBFGSLineSearch: 5 01:25:22 -70.619109 0.006188 LBFGSLineSearch: 6 01:25:22 -70.619113 0.004070 LBFGSLineSearch: 7 01:25:23 -70.619115 0.004020 LBFGSLineSearch: 8 01:25:23 -70.619117 0.003270 LBFGSLineSearch: 9 01:25:24 -70.619119 0.002879 LBFGSLineSearch: 10 01:25:26 -70.619121 0.001818 LBFGSLineSearch: 11 01:25:26 -70.619122 0.002062 LBFGSLineSearch: 12 01:25:26 -70.619123 0.000958 LBFGSLineSearch: 13 01:25:27 -70.619124 0.000917 LBFGSLineSearch: 14 01:25:27 -70.619124 0.000742 LBFGSLineSearch: 15 01:25:27 -70.619124 0.000448 LBFGSLineSearch: 16 01:25:28 -70.619124 0.000352 LBFGSLineSearch: 17 01:25:28 -70.619124 0.000217 LBFGSLineSearch: 18 01:25:29 -70.619124 0.000151 LBFGSLineSearch: 19 01:25:29 -70.619124 0.000035 LBFGSLineSearch: 20 01:25:30 -70.619124 0.000021 LBFGSLineSearch: 21 01:25:30 -70.619124 0.000007 Minimization converged after 21 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:25:37 -70.358407 0.018625 LBFGSLineSearch: 1 01:25:38 -70.358438 0.024552 LBFGSLineSearch: 2 01:25:39 -70.358479 0.017844 LBFGSLineSearch: 3 01:25:40 -70.358497 0.012633 LBFGSLineSearch: 4 01:25:41 -70.358503 0.004550 LBFGSLineSearch: 5 01:25:41 -70.358511 0.007669 LBFGSLineSearch: 6 01:25:41 -70.358518 0.003576 LBFGSLineSearch: 7 01:25:43 -70.358520 0.004530 LBFGSLineSearch: 8 01:25:44 -70.358523 0.003818 LBFGSLineSearch: 9 01:25:44 -70.358524 0.003330 LBFGSLineSearch: 10 01:25:45 -70.358528 0.001928 LBFGSLineSearch: 11 01:25:46 -70.358529 0.002087 LBFGSLineSearch: 12 01:25:47 -70.358530 0.002014 LBFGSLineSearch: 13 01:25:47 -70.358531 0.000939 LBFGSLineSearch: 14 01:25:48 -70.358531 0.000838 LBFGSLineSearch: 15 01:25:49 -70.358531 0.000669 LBFGSLineSearch: 16 01:25:50 -70.358531 0.000812 LBFGSLineSearch: 17 01:25:53 -70.358531 0.000360 LBFGSLineSearch: 18 01:25:53 -70.358531 0.000185 LBFGSLineSearch: 19 01:25:53 -70.358531 0.000219 LBFGSLineSearch: 20 01:25:54 -70.358531 0.000092 LBFGSLineSearch: 21 01:25:54 -70.358531 0.000060 LBFGSLineSearch: 22 01:25:56 -70.358531 0.000013 LBFGSLineSearch: 23 01:25:56 -70.358531 0.000001 Minimization converged after 23 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:04 -70.066169 0.020883 LBFGSLineSearch: 1 01:26:05 -70.066209 0.027792 LBFGSLineSearch: 2 01:26:06 -70.066262 0.019098 LBFGSLineSearch: 3 01:26:06 -70.066288 0.014452 LBFGSLineSearch: 4 01:26:06 -70.066300 0.008890 LBFGSLineSearch: 5 01:26:07 -70.066318 0.007651 LBFGSLineSearch: 6 01:26:07 -70.066324 0.003850 LBFGSLineSearch: 7 01:26:08 -70.066328 0.002986 LBFGSLineSearch: 8 01:26:08 -70.066331 0.004167 LBFGSLineSearch: 9 01:26:09 -70.066335 0.004993 LBFGSLineSearch: 10 01:26:10 -70.066340 0.003773 LBFGSLineSearch: 11 01:26:10 -70.066342 0.002971 LBFGSLineSearch: 12 01:26:10 -70.066344 0.001046 LBFGSLineSearch: 13 01:26:11 -70.066345 0.001145 LBFGSLineSearch: 14 01:26:11 -70.066345 0.001168 LBFGSLineSearch: 15 01:26:11 -70.066345 0.001130 LBFGSLineSearch: 16 01:26:11 -70.066346 0.000608 LBFGSLineSearch: 17 01:26:12 -70.066346 0.000178 LBFGSLineSearch: 18 01:26:12 -70.066346 0.000198 LBFGSLineSearch: 19 01:26:12 -70.066346 0.000172 LBFGSLineSearch: 20 01:26:12 -70.066346 0.000078 LBFGSLineSearch: 21 01:26:13 -70.066346 0.000052 LBFGSLineSearch: 22 01:26:15 -70.066346 0.000022 LBFGSLineSearch: 23 01:26:15 -70.066346 0.000013 LBFGSLineSearch: 24 01:26:15 -70.066346 0.000000 Minimization converged after 24 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:24 -69.738598 0.023411 LBFGSLineSearch: 1 01:26:24 -69.738650 0.031777 LBFGSLineSearch: 2 01:26:25 -69.738721 0.021713 LBFGSLineSearch: 3 01:26:25 -69.738761 0.017085 LBFGSLineSearch: 4 01:26:26 -69.738799 0.020415 LBFGSLineSearch: 5 01:26:26 -69.738906 0.025682 LBFGSLineSearch: 6 01:26:28 -69.742605 0.074032 LBFGSLineSearch: 7 01:26:29 -69.742608 0.078040 LBFGSLineSearch: 8 01:26:29 -69.743697 0.114731 LBFGSLineSearch: 9 01:26:31 -69.748041 0.232393 LBFGSLineSearch: 10 01:26:31 -69.750034 0.093706 LBFGSLineSearch: 11 01:26:31 -69.751701 0.101940 LBFGSLineSearch: 12 01:26:32 -69.753705 0.052816 LBFGSLineSearch: 13 01:26:33 -69.754474 0.063901 LBFGSLineSearch: 14 01:26:33 -69.754915 0.037408 LBFGSLineSearch: 15 01:26:34 -69.755068 0.029103 LBFGSLineSearch: 16 01:26:34 -69.755161 0.020886 LBFGSLineSearch: 17 01:26:35 -69.755349 0.023746 LBFGSLineSearch: 18 01:26:35 -69.755449 0.025138 LBFGSLineSearch: 19 01:26:36 -69.755523 0.013233 LBFGSLineSearch: 20 01:26:38 -69.755558 0.012136 LBFGSLineSearch: 21 01:26:40 -69.755594 0.005492 LBFGSLineSearch: 22 01:26:43 -69.755605 0.010053 LBFGSLineSearch: 23 01:26:43 -69.755615 0.006091 LBFGSLineSearch: 24 01:26:44 -69.755615 0.001155 LBFGSLineSearch: 25 01:26:45 -69.755615 0.000487 LBFGSLineSearch: 26 01:26:45 -69.755616 0.000683 LBFGSLineSearch: 27 01:26:46 -69.755616 0.000005 Minimization converged after 27 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:52 -69.390859 0.026055 LBFGSLineSearch: 1 01:26:53 -69.390907 0.024717 LBFGSLineSearch: 2 01:26:53 -69.390961 0.022639 LBFGSLineSearch: 3 01:26:54 -69.390994 0.016493 LBFGSLineSearch: 4 01:26:55 -69.391004 0.010973 LBFGSLineSearch: 5 01:26:55 -69.391012 0.009360 LBFGSLineSearch: 6 01:26:57 -69.391022 0.007026 LBFGSLineSearch: 7 01:26:57 -69.391025 0.003263 LBFGSLineSearch: 8 01:26:58 -69.391026 0.002221 LBFGSLineSearch: 9 01:26:59 -69.391027 0.000985 LBFGSLineSearch: 10 01:26:59 -69.391027 0.000819 LBFGSLineSearch: 11 01:27:00 -69.391027 0.000802 LBFGSLineSearch: 12 01:27:02 -69.391027 0.000718 LBFGSLineSearch: 13 01:27:03 -69.391028 0.000358 LBFGSLineSearch: 14 01:27:03 -69.391028 0.000272 LBFGSLineSearch: 15 01:27:03 -69.391028 0.000355 LBFGSLineSearch: 16 01:27:04 -69.391028 0.000227 LBFGSLineSearch: 17 01:27:05 -69.391028 0.000059 LBFGSLineSearch: 18 01:27:06 -69.391028 0.000031 LBFGSLineSearch: 19 01:27:07 -69.391028 0.000036 LBFGSLineSearch: 20 01:27:08 -69.391028 0.000000 Minimization converged after 20 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:15 -68.981981 0.029218 LBFGSLineSearch: 1 01:27:16 -68.982042 0.027768 LBFGSLineSearch: 2 01:27:18 -68.982109 0.025059 LBFGSLineSearch: 3 01:27:19 -68.982150 0.018254 LBFGSLineSearch: 4 01:27:20 -68.982162 0.012248 LBFGSLineSearch: 5 01:27:21 -68.982173 0.010124 LBFGSLineSearch: 6 01:27:21 -68.982185 0.007582 LBFGSLineSearch: 7 01:27:22 -68.982190 0.003639 LBFGSLineSearch: 8 01:27:23 -68.982191 0.002446 LBFGSLineSearch: 9 01:27:24 -68.982192 0.001121 LBFGSLineSearch: 10 01:27:24 -68.982192 0.000929 LBFGSLineSearch: 11 01:27:24 -68.982192 0.000904 LBFGSLineSearch: 12 01:27:25 -68.982192 0.000855 LBFGSLineSearch: 13 01:27:26 -68.982193 0.000401 LBFGSLineSearch: 14 01:27:27 -68.982193 0.000330 LBFGSLineSearch: 15 01:27:28 -68.982193 0.000315 LBFGSLineSearch: 16 01:27:29 -68.982193 0.000068 LBFGSLineSearch: 17 01:27:31 -68.982193 0.000063 LBFGSLineSearch: 18 01:27:33 -68.982193 0.000033 LBFGSLineSearch: 19 01:27:33 -68.982193 0.000016 LBFGSLineSearch: 20 01:27:34 -68.982193 0.000000 Minimization converged after 20 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:40 -68.523529 0.032762 LBFGSLineSearch: 1 01:27:41 -68.523607 0.031219 LBFGSLineSearch: 2 01:27:41 -68.523691 0.027738 LBFGSLineSearch: 3 01:27:42 -68.523741 0.020103 LBFGSLineSearch: 4 01:27:43 -68.523757 0.013645 LBFGSLineSearch: 5 01:27:43 -68.523771 0.010892 LBFGSLineSearch: 6 01:27:43 -68.523786 0.007905 LBFGSLineSearch: 7 01:27:44 -68.523791 0.003925 LBFGSLineSearch: 8 01:27:44 -68.523793 0.002674 LBFGSLineSearch: 9 01:27:45 -68.523794 0.001268 LBFGSLineSearch: 10 01:27:45 -68.523794 0.001070 LBFGSLineSearch: 11 01:27:45 -68.523794 0.001019 LBFGSLineSearch: 12 01:27:46 -68.523795 0.001181 LBFGSLineSearch: 13 01:27:46 -68.523795 0.000466 LBFGSLineSearch: 14 01:27:46 -68.523795 0.000354 LBFGSLineSearch: 15 01:27:46 -68.523795 0.000362 LBFGSLineSearch: 16 01:27:47 -68.523795 0.000095 LBFGSLineSearch: 17 01:27:47 -68.523795 0.000060 LBFGSLineSearch: 18 01:27:48 -68.523795 0.000059 LBFGSLineSearch: 19 01:27:48 -68.523795 0.000038 LBFGSLineSearch: 20 01:27:49 -68.523795 0.000001 Minimization converged after 20 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:55 -68.009560 0.036731 LBFGSLineSearch: 1 01:27:55 -68.009661 0.035122 LBFGSLineSearch: 2 01:27:56 -68.009766 0.030630 LBFGSLineSearch: 3 01:27:56 -68.009828 0.022076 LBFGSLineSearch: 4 01:27:57 -68.009848 0.015143 LBFGSLineSearch: 5 01:27:57 -68.009868 0.011513 LBFGSLineSearch: 6 01:27:57 -68.009885 0.007922 LBFGSLineSearch: 7 01:27:58 -68.009891 0.004039 LBFGSLineSearch: 8 01:27:58 -68.009893 0.002886 LBFGSLineSearch: 9 01:27:58 -68.009894 0.001451 LBFGSLineSearch: 10 01:27:59 -68.009895 0.001276 LBFGSLineSearch: 11 01:28:01 -68.009895 0.001132 LBFGSLineSearch: 12 01:28:02 -68.009896 0.000958 LBFGSLineSearch: 13 01:28:02 -68.009896 0.000432 LBFGSLineSearch: 14 01:28:03 -68.009896 0.000718 LBFGSLineSearch: 15 01:28:03 -68.009896 0.000419 LBFGSLineSearch: 16 01:28:04 -68.009896 0.000258 LBFGSLineSearch: 17 01:28:04 -68.009896 0.000088 LBFGSLineSearch: 18 01:28:05 -68.009896 0.000072 LBFGSLineSearch: 19 01:28:05 -68.009896 0.000052 LBFGSLineSearch: 20 01:28:05 -68.009896 0.000042 LBFGSLineSearch: 21 01:28:06 -68.009896 0.000000 Minimization converged after 21 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:13 -67.433440 0.041175 LBFGSLineSearch: 1 01:28:13 -67.433570 0.039548 LBFGSLineSearch: 2 01:28:14 -67.433701 0.033722 LBFGSLineSearch: 3 01:28:14 -67.433777 0.024143 LBFGSLineSearch: 4 01:28:14 -67.433802 0.016732 LBFGSLineSearch: 5 01:28:15 -67.433830 0.011907 LBFGSLineSearch: 6 01:28:15 -67.433850 0.008268 LBFGSLineSearch: 7 01:28:16 -67.433857 0.004500 LBFGSLineSearch: 8 01:28:16 -67.433860 0.003152 LBFGSLineSearch: 9 01:28:17 -67.433861 0.001734 LBFGSLineSearch: 10 01:28:18 -67.433861 0.002217 LBFGSLineSearch: 11 01:28:19 -67.433862 0.001267 LBFGSLineSearch: 12 01:28:19 -67.433863 0.001066 LBFGSLineSearch: 13 01:28:20 -67.433863 0.000465 LBFGSLineSearch: 14 01:28:21 -67.433863 0.001753 LBFGSLineSearch: 15 01:28:22 -67.433863 0.000468 LBFGSLineSearch: 16 01:28:22 -67.433863 0.000088 LBFGSLineSearch: 17 01:28:23 -67.433863 0.000126 LBFGSLineSearch: 18 01:28:23 -67.433863 0.000052 LBFGSLineSearch: 19 01:28:24 -67.433863 0.000047 LBFGSLineSearch: 20 01:28:25 -67.433863 0.000000 Minimization converged after 20 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:31 -66.787763 0.046150 LBFGSLineSearch: 1 01:28:32 -66.787931 0.044588 LBFGSLineSearch: 2 01:28:32 -66.788095 0.036956 LBFGSLineSearch: 3 01:28:33 -66.788188 0.026239 LBFGSLineSearch: 4 01:28:34 -66.788219 0.018400 LBFGSLineSearch: 5 01:28:34 -66.788260 0.011978 LBFGSLineSearch: 6 01:28:35 -66.788282 0.009048 LBFGSLineSearch: 7 01:28:35 -66.788290 0.005015 LBFGSLineSearch: 8 01:28:36 -66.788293 0.003243 LBFGSLineSearch: 9 01:28:36 -66.788294 0.001971 LBFGSLineSearch: 10 01:28:37 -66.788295 0.003129 LBFGSLineSearch: 11 01:28:38 -66.788295 0.001419 LBFGSLineSearch: 12 01:28:40 -66.788296 0.000907 LBFGSLineSearch: 13 01:28:41 -66.788296 0.001376 LBFGSLineSearch: 14 01:28:41 -66.788297 0.000513 LBFGSLineSearch: 15 01:28:42 -66.788297 0.000499 LBFGSLineSearch: 16 01:28:42 -66.788297 0.000411 LBFGSLineSearch: 17 01:28:43 -66.788297 0.000194 LBFGSLineSearch: 18 01:28:43 -66.788297 0.000081 LBFGSLineSearch: 19 01:28:44 -66.788297 0.000083 LBFGSLineSearch: 20 01:28:45 -66.788297 0.000061 LBFGSLineSearch: 21 01:28:46 -66.788297 0.000048 LBFGSLineSearch: 22 01:28:46 -66.788297 0.000014 LBFGSLineSearch: 23 01:28:47 -66.788297 0.000000 Minimization converged after 23 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:54 -66.064274 0.051716 LBFGSLineSearch: 1 01:28:55 -66.064493 0.050369 LBFGSLineSearch: 2 01:28:55 -66.064698 0.040245 LBFGSLineSearch: 3 01:28:56 -66.064811 0.028173 LBFGSLineSearch: 4 01:28:56 -66.064851 0.020179 LBFGSLineSearch: 5 01:28:57 -66.064905 0.012779 LBFGSLineSearch: 6 01:28:58 -66.064935 0.007251 LBFGSLineSearch: 7 01:28:58 -66.064943 0.006204 LBFGSLineSearch: 8 01:28:59 -66.064946 0.003312 LBFGSLineSearch: 9 01:29:00 -66.064948 0.001902 LBFGSLineSearch: 10 01:29:00 -66.064949 0.001918 LBFGSLineSearch: 11 01:29:01 -66.064949 0.001721 LBFGSLineSearch: 12 01:29:01 -66.064950 0.000886 LBFGSLineSearch: 13 01:29:02 -66.064950 0.000834 LBFGSLineSearch: 14 01:29:05 -66.064951 0.000567 LBFGSLineSearch: 15 01:29:06 -66.064951 0.000453 LBFGSLineSearch: 16 01:29:06 -66.064951 0.000129 LBFGSLineSearch: 17 01:29:08 -66.064951 0.000100 LBFGSLineSearch: 18 01:29:08 -66.064951 0.000048 LBFGSLineSearch: 19 01:29:09 -66.064951 0.000048 LBFGSLineSearch: 20 01:29:09 -66.064951 0.000014 LBFGSLineSearch: 21 01:29:09 -66.064951 0.000000 Minimization converged after 21 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:16 -65.253786 0.057940 LBFGSLineSearch: 1 01:29:16 -65.254073 0.057068 LBFGSLineSearch: 2 01:29:17 -65.254331 0.043417 LBFGSLineSearch: 3 01:29:17 -65.254468 0.029479 LBFGSLineSearch: 4 01:29:18 -65.254519 0.022246 LBFGSLineSearch: 5 01:29:18 -65.254581 0.019438 LBFGSLineSearch: 6 01:29:19 -65.254625 0.014003 LBFGSLineSearch: 7 01:29:20 -65.254639 0.007045 LBFGSLineSearch: 8 01:29:20 -65.254644 0.003392 LBFGSLineSearch: 9 01:29:21 -65.254647 0.003240 LBFGSLineSearch: 10 01:29:21 -65.254648 0.001959 LBFGSLineSearch: 11 01:29:21 -65.254649 0.002190 LBFGSLineSearch: 12 01:29:21 -65.254650 0.002734 LBFGSLineSearch: 13 01:29:22 -65.254650 0.000758 LBFGSLineSearch: 14 01:29:22 -65.254651 0.001516 LBFGSLineSearch: 15 01:29:23 -65.254651 0.000998 LBFGSLineSearch: 16 01:29:23 -65.254651 0.000270 LBFGSLineSearch: 17 01:29:23 -65.254651 0.000246 LBFGSLineSearch: 18 01:29:24 -65.254651 0.000195 LBFGSLineSearch: 19 01:29:24 -65.254651 0.000084 LBFGSLineSearch: 20 01:29:25 -65.254651 0.000044 LBFGSLineSearch: 21 01:29:25 -65.254651 0.000004 Minimization converged after 21 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:31 -64.346100 0.064900 LBFGSLineSearch: 1 01:29:32 -64.346482 0.066306 LBFGSLineSearch: 2 01:29:32 -64.346811 0.046321 LBFGSLineSearch: 3 01:29:33 -64.346979 0.029265 LBFGSLineSearch: 4 01:29:34 -64.347043 0.025245 LBFGSLineSearch: 5 01:29:36 -64.347118 0.024197 LBFGSLineSearch: 6 01:29:37 -64.347188 0.019200 LBFGSLineSearch: 7 01:29:37 -64.347216 0.007414 LBFGSLineSearch: 8 01:29:38 -64.347224 0.007087 LBFGSLineSearch: 9 01:29:39 -64.347229 0.003721 LBFGSLineSearch: 10 01:29:40 -64.347232 0.003505 LBFGSLineSearch: 11 01:29:41 -64.347233 0.002373 LBFGSLineSearch: 12 01:29:42 -64.347235 0.001761 LBFGSLineSearch: 13 01:29:42 -64.347235 0.001634 LBFGSLineSearch: 14 01:29:44 -64.347236 0.001423 LBFGSLineSearch: 15 01:29:46 -64.347236 0.001203 LBFGSLineSearch: 16 01:29:47 -64.347237 0.000492 LBFGSLineSearch: 17 01:29:48 -64.347237 0.000310 LBFGSLineSearch: 18 01:29:48 -64.347237 0.000257 LBFGSLineSearch: 19 01:29:49 -64.347237 0.000227 LBFGSLineSearch: 20 01:29:49 -64.347237 0.000201 LBFGSLineSearch: 21 01:29:50 -64.347237 0.000181 LBFGSLineSearch: 22 01:29:50 -64.347237 0.000153 LBFGSLineSearch: 23 01:29:51 -64.347237 0.000117 LBFGSLineSearch: 24 01:29:51 -64.347237 0.000157 LBFGSLineSearch: 25 01:29:51 -64.347237 0.000068 LBFGSLineSearch: 26 01:29:52 -64.347237 0.000026 LBFGSLineSearch: 27 01:29:52 -64.347237 0.000003 Minimization converged after 27 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:00 -63.330025 0.072661 LBFGSLineSearch: 1 01:30:00 -63.330541 0.078769 LBFGSLineSearch: 2 01:30:01 -63.330991 0.052530 LBFGSLineSearch: 3 01:30:01 -63.331234 0.036055 LBFGSLineSearch: 4 01:30:01 -63.331332 0.031902 LBFGSLineSearch: 5 01:30:02 -63.331597 0.090736 LBFGSLineSearch: 6 01:30:03 -63.372040 0.680174 LBFGSLineSearch: 7 01:30:03 -63.372410 0.713137 LBFGSLineSearch: 8 01:30:04 -63.401331 0.495155 LBFGSLineSearch: 9 01:30:04 -63.432362 0.428603 LBFGSLineSearch: 10 01:30:05 -63.474798 0.694168 LBFGSLineSearch: 11 01:30:05 -63.501058 0.706861 LBFGSLineSearch: 12 01:30:05 -63.532586 0.581981 LBFGSLineSearch: 13 01:30:06 -63.561386 0.414734 LBFGSLineSearch: 14 01:30:06 -63.589601 0.516786 LBFGSLineSearch: 15 01:30:06 -63.601543 0.198202 LBFGSLineSearch: 16 01:30:07 -63.610730 0.189363 LBFGSLineSearch: 17 01:30:07 -63.615755 0.188893 LBFGSLineSearch: 18 01:30:07 -63.620173 0.244303 LBFGSLineSearch: 19 01:30:08 -63.625633 0.119920 LBFGSLineSearch: 20 01:30:08 -63.629621 0.195450 LBFGSLineSearch: 21 01:30:08 -63.638439 0.193133 LBFGSLineSearch: 22 01:30:09 -63.660607 0.224898 LBFGSLineSearch: 23 01:30:10 -63.662822 0.122857 LBFGSLineSearch: 24 01:30:10 -63.663958 0.087703 LBFGSLineSearch: 25 01:30:10 -63.664790 0.057873 LBFGSLineSearch: 26 01:30:11 -63.665390 0.079305 LBFGSLineSearch: 27 01:30:11 -63.665808 0.046066 LBFGSLineSearch: 28 01:30:11 -63.666040 0.040712 LBFGSLineSearch: 29 01:30:12 -63.666535 0.059149 LBFGSLineSearch: 30 01:30:13 -63.667237 0.032736 LBFGSLineSearch: 31 01:30:13 -63.667408 0.026341 LBFGSLineSearch: 32 01:30:14 -63.667481 0.010116 LBFGSLineSearch: 33 01:30:15 -63.667496 0.002585 LBFGSLineSearch: 34 01:30:15 -63.667497 0.000561 LBFGSLineSearch: 35 01:30:15 -63.667497 0.000846 LBFGSLineSearch: 36 01:30:16 -63.667497 0.000126 LBFGSLineSearch: 37 01:30:16 -63.667497 0.000007 Minimization converged after 37 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:25 -62.552102 0.079678 LBFGSLineSearch: 1 01:30:26 -62.552716 0.104142 LBFGSLineSearch: 2 01:30:27 -62.553104 0.108516 LBFGSLineSearch: 3 01:30:27 -62.553464 0.049226 LBFGSLineSearch: 4 01:30:28 -62.553596 0.039026 LBFGSLineSearch: 5 01:30:29 -62.553730 0.035674 LBFGSLineSearch: 6 01:30:29 -62.553892 0.024988 LBFGSLineSearch: 7 01:30:30 -62.553953 0.011001 LBFGSLineSearch: 8 01:30:31 -62.553976 0.006194 LBFGSLineSearch: 9 01:30:32 -62.553983 0.005586 LBFGSLineSearch: 10 01:30:33 -62.553987 0.006692 LBFGSLineSearch: 11 01:30:34 -62.553992 0.007394 LBFGSLineSearch: 12 01:30:34 -62.554001 0.004376 LBFGSLineSearch: 13 01:30:35 -62.554010 0.004776 LBFGSLineSearch: 14 01:30:36 -62.554011 0.001985 LBFGSLineSearch: 15 01:30:37 -62.554012 0.001162 LBFGSLineSearch: 16 01:30:37 -62.554012 0.000898 LBFGSLineSearch: 17 01:30:38 -62.554012 0.000741 LBFGSLineSearch: 18 01:30:38 -62.554012 0.000629 LBFGSLineSearch: 19 01:30:38 -62.554012 0.000537 LBFGSLineSearch: 20 01:30:39 -62.554012 0.000858 LBFGSLineSearch: 21 01:30:39 -62.554013 0.000424 LBFGSLineSearch: 22 01:30:40 -62.554013 0.000193 LBFGSLineSearch: 23 01:30:40 -62.554013 0.000101 LBFGSLineSearch: 24 01:30:40 -62.554013 0.000016 LBFGSLineSearch: 25 01:30:41 -62.554013 0.000011 LBFGSLineSearch: 26 01:30:41 -62.554013 0.000001 Minimization converged after 26 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:48 -61.306307 0.089122 LBFGSLineSearch: 1 01:30:48 -61.307119 0.118708 LBFGSLineSearch: 2 01:30:49 -61.307604 0.115091 LBFGSLineSearch: 3 01:30:49 -61.308008 0.053702 LBFGSLineSearch: 4 01:30:49 -61.308187 0.044302 LBFGSLineSearch: 5 01:30:50 -61.308352 0.040858 LBFGSLineSearch: 6 01:30:50 -61.308549 0.025482 LBFGSLineSearch: 7 01:30:50 -61.308630 0.012091 LBFGSLineSearch: 8 01:30:51 -61.308654 0.008061 LBFGSLineSearch: 9 01:30:52 -61.308669 0.007384 LBFGSLineSearch: 10 01:30:52 -61.308676 0.005594 LBFGSLineSearch: 11 01:30:53 -61.308685 0.006393 LBFGSLineSearch: 12 01:30:54 -61.308689 0.004950 LBFGSLineSearch: 13 01:30:55 -61.308698 0.002741 LBFGSLineSearch: 14 01:30:56 -61.308699 0.001297 LBFGSLineSearch: 15 01:30:56 -61.308700 0.001371 LBFGSLineSearch: 16 01:30:57 -61.308700 0.000775 LBFGSLineSearch: 17 01:30:57 -61.308700 0.000741 LBFGSLineSearch: 18 01:30:58 -61.308700 0.000817 LBFGSLineSearch: 19 01:30:58 -61.308700 0.000358 LBFGSLineSearch: 20 01:30:59 -61.308700 0.000414 LBFGSLineSearch: 21 01:31:00 -61.308700 0.000025 LBFGSLineSearch: 22 01:31:01 -61.308700 0.000018 LBFGSLineSearch: 23 01:31:01 -61.308700 0.000000 Minimization converged after 23 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:10 -59.913570 0.099652 LBFGSLineSearch: 1 01:31:12 -59.914654 0.130154 LBFGSLineSearch: 2 01:31:13 -59.915294 0.116331 LBFGSLineSearch: 3 01:31:14 -59.915720 0.059521 LBFGSLineSearch: 4 01:31:14 -59.915955 0.053551 LBFGSLineSearch: 5 01:31:15 -59.916159 0.044602 LBFGSLineSearch: 6 01:31:15 -59.916408 0.025948 LBFGSLineSearch: 7 01:31:16 -59.916504 0.018197 LBFGSLineSearch: 8 01:31:16 -59.916540 0.010152 LBFGSLineSearch: 9 01:31:16 -59.916560 0.008354 LBFGSLineSearch: 10 01:31:17 -59.916566 0.007022 LBFGSLineSearch: 11 01:31:17 -59.916575 0.006704 LBFGSLineSearch: 12 01:31:18 -59.916584 0.004153 LBFGSLineSearch: 13 01:31:18 -59.916590 0.005236 LBFGSLineSearch: 14 01:31:19 -59.916596 0.001501 LBFGSLineSearch: 15 01:31:19 -59.916596 0.001265 LBFGSLineSearch: 16 01:31:20 -59.916597 0.000812 LBFGSLineSearch: 17 01:31:20 -59.916597 0.000729 LBFGSLineSearch: 18 01:31:21 -59.916597 0.000813 LBFGSLineSearch: 19 01:31:21 -59.916597 0.000421 LBFGSLineSearch: 20 01:31:22 -59.916597 0.000469 LBFGSLineSearch: 21 01:31:22 -59.916597 0.000256 LBFGSLineSearch: 22 01:31:23 -59.916597 0.000022 LBFGSLineSearch: 23 01:31:24 -59.916597 0.000015 LBFGSLineSearch: 24 01:31:24 -59.916597 0.000001 Minimization converged after 24 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:32 -58.357432 0.111369 LBFGSLineSearch: 1 01:31:32 -58.358890 0.138596 LBFGSLineSearch: 2 01:31:32 -58.359862 0.103954 LBFGSLineSearch: 3 01:31:33 -58.360258 0.060303 LBFGSLineSearch: 4 01:31:33 -58.360543 0.065404 LBFGSLineSearch: 5 01:31:33 -58.360807 0.053251 LBFGSLineSearch: 6 01:31:33 -58.361147 0.039173 LBFGSLineSearch: 7 01:31:34 -58.361261 0.024163 LBFGSLineSearch: 8 01:31:34 -58.361327 0.012758 LBFGSLineSearch: 9 01:31:34 -58.361355 0.010958 LBFGSLineSearch: 10 01:31:35 -58.361365 0.007838 LBFGSLineSearch: 11 01:31:36 -58.361376 0.006987 LBFGSLineSearch: 12 01:31:36 -58.361386 0.005635 LBFGSLineSearch: 13 01:31:37 -58.361393 0.004781 LBFGSLineSearch: 14 01:31:38 -58.361399 0.004347 LBFGSLineSearch: 15 01:31:38 -58.361406 0.004363 LBFGSLineSearch: 16 01:31:38 -58.361409 0.002656 LBFGSLineSearch: 17 01:31:38 -58.361410 0.002030 LBFGSLineSearch: 18 01:31:39 -58.361411 0.000623 LBFGSLineSearch: 19 01:31:41 -58.361411 0.000507 LBFGSLineSearch: 20 01:31:41 -58.361411 0.000522 LBFGSLineSearch: 21 01:31:42 -58.361411 0.000413 LBFGSLineSearch: 22 01:31:42 -58.361411 0.000169 LBFGSLineSearch: 23 01:31:43 -58.361411 0.000107 LBFGSLineSearch: 24 01:31:43 -58.361411 0.000066 LBFGSLineSearch: 25 01:31:43 -58.361411 0.000014 LBFGSLineSearch: 26 01:31:43 -58.361411 0.000010 LBFGSLineSearch: 27 01:31:44 -58.361411 0.000000 Minimization converged after 27 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:51 -56.620478 0.124352 LBFGSLineSearch: 1 01:31:52 -56.622473 0.145573 LBFGSLineSearch: 2 01:31:52 -56.624541 0.068705 LBFGSLineSearch: 3 01:31:52 -56.625690 0.168099 LBFGSLineSearch: 4 01:31:53 -56.674636 0.640821 LBFGSLineSearch: 5 01:31:53 -56.678571 0.727880 LBFGSLineSearch: 6 01:31:53 -56.747336 0.594411 LBFGSLineSearch: 7 01:31:54 -56.792530 0.344440 LBFGSLineSearch: 8 01:31:54 -56.811961 0.438775 LBFGSLineSearch: 9 01:31:54 -56.829480 0.231609 LBFGSLineSearch: 10 01:31:55 -56.836137 0.165695 LBFGSLineSearch: 11 01:31:56 -56.840021 0.193950 LBFGSLineSearch: 12 01:31:57 -56.844662 0.242427 LBFGSLineSearch: 13 01:31:57 -56.851799 0.247805 LBFGSLineSearch: 14 01:31:58 -56.864110 0.218622 LBFGSLineSearch: 15 01:31:59 -56.865444 0.171741 LBFGSLineSearch: 16 01:32:01 -56.871640 0.112047 LBFGSLineSearch: 17 01:32:03 -56.873335 0.087181 LBFGSLineSearch: 18 01:32:05 -56.875348 0.052321 LBFGSLineSearch: 19 01:32:05 -56.875879 0.052401 LBFGSLineSearch: 20 01:32:06 -56.876495 0.054229 LBFGSLineSearch: 21 01:32:06 -56.877587 0.075468 LBFGSLineSearch: 22 01:32:07 -56.878455 0.027569 LBFGSLineSearch: 23 01:32:07 -56.878557 0.021381 LBFGSLineSearch: 24 01:32:07 -56.878634 0.024735 LBFGSLineSearch: 25 01:32:08 -56.878829 0.017469 LBFGSLineSearch: 26 01:32:08 -56.879038 0.037789 LBFGSLineSearch: 27 01:32:08 -56.879378 0.024197 LBFGSLineSearch: 28 01:32:09 -56.886665 0.071869 LBFGSLineSearch: 29 01:32:09 -56.886672 0.070633 LBFGSLineSearch: 30 01:32:10 -56.887711 0.099441 LBFGSLineSearch: 31 01:32:10 -56.895940 0.278903 LBFGSLineSearch: 32 01:32:11 -56.897868 0.310074 LBFGSLineSearch: 33 01:32:11 -56.916694 0.105331 LBFGSLineSearch: 34 01:32:11 -56.919885 0.185443 LBFGSLineSearch: 35 01:32:12 -56.925415 0.175773 LBFGSLineSearch: 36 01:32:13 -56.928277 0.118536 LBFGSLineSearch: 37 01:32:13 -56.929852 0.068016 LBFGSLineSearch: 38 01:32:13 -56.930115 0.056180 LBFGSLineSearch: 39 01:32:14 -56.930333 0.037437 LBFGSLineSearch: 40 01:32:14 -56.930494 0.023530 LBFGSLineSearch: 41 01:32:14 -56.930609 0.041384 LBFGSLineSearch: 42 01:32:15 -56.930889 0.021200 LBFGSLineSearch: 43 01:32:15 -56.931027 0.013682 LBFGSLineSearch: 44 01:32:16 -56.931056 0.010643 LBFGSLineSearch: 45 01:32:16 -56.931068 0.005240 LBFGSLineSearch: 46 01:32:16 -56.931073 0.000949 LBFGSLineSearch: 47 01:32:16 -56.931073 0.000158 LBFGSLineSearch: 48 01:32:17 -56.931073 0.000015 LBFGSLineSearch: 49 01:32:18 -56.931073 0.000001 Minimization converged after 49 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:26 -55.041785 0.134950 LBFGSLineSearch: 1 01:32:26 -55.044107 0.134648 LBFGSLineSearch: 2 01:32:27 -55.046057 0.068104 LBFGSLineSearch: 3 01:32:28 -55.046670 0.033403 LBFGSLineSearch: 4 01:32:29 -55.046977 0.041721 LBFGSLineSearch: 5 01:32:29 -55.047198 0.018128 LBFGSLineSearch: 6 01:32:30 -55.047244 0.009657 LBFGSLineSearch: 7 01:32:30 -55.047253 0.008706 LBFGSLineSearch: 8 01:32:30 -55.047259 0.006975 LBFGSLineSearch: 9 01:32:31 -55.047272 0.004581 LBFGSLineSearch: 10 01:32:31 -55.047282 0.003567 LBFGSLineSearch: 11 01:32:31 -55.047285 0.003517 LBFGSLineSearch: 12 01:32:32 -55.047287 0.002389 LBFGSLineSearch: 13 01:32:32 -55.047289 0.002222 LBFGSLineSearch: 14 01:32:33 -55.047289 0.001754 LBFGSLineSearch: 15 01:32:33 -55.047291 0.001342 LBFGSLineSearch: 16 01:32:33 -55.047291 0.000663 LBFGSLineSearch: 17 01:32:34 -55.047291 0.000308 LBFGSLineSearch: 18 01:32:34 -55.047291 0.000292 LBFGSLineSearch: 19 01:32:35 -55.047291 0.000263 LBFGSLineSearch: 20 01:32:35 -55.047291 0.000229 LBFGSLineSearch: 21 01:32:35 -55.047291 0.000251 LBFGSLineSearch: 22 01:32:36 -55.047291 0.000075 LBFGSLineSearch: 23 01:32:37 -55.047291 0.000043 LBFGSLineSearch: 24 01:32:37 -55.047291 0.000000 Minimization converged after 24 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:45 -52.938915 0.150598 LBFGSLineSearch: 1 01:32:46 -52.941911 0.136509 LBFGSLineSearch: 2 01:32:47 -52.944171 0.070289 LBFGSLineSearch: 3 01:32:48 -52.944835 0.048137 LBFGSLineSearch: 4 01:32:48 -52.945207 0.051568 LBFGSLineSearch: 5 01:32:49 -52.945474 0.016574 LBFGSLineSearch: 6 01:32:50 -52.945512 0.008607 LBFGSLineSearch: 7 01:32:50 -52.945521 0.007582 LBFGSLineSearch: 8 01:32:51 -52.945527 0.006767 LBFGSLineSearch: 9 01:32:53 -52.945534 0.005930 LBFGSLineSearch: 10 01:32:53 -52.945544 0.003868 LBFGSLineSearch: 11 01:32:54 -52.945548 0.002615 LBFGSLineSearch: 12 01:32:54 -52.945549 0.001299 LBFGSLineSearch: 13 01:32:55 -52.945549 0.000859 LBFGSLineSearch: 14 01:32:56 -52.945549 0.000970 LBFGSLineSearch: 15 01:32:57 -52.945550 0.000999 LBFGSLineSearch: 16 01:32:57 -52.945550 0.001352 LBFGSLineSearch: 17 01:32:58 -52.945550 0.000095 LBFGSLineSearch: 18 01:32:58 -52.945550 0.000094 LBFGSLineSearch: 19 01:32:59 -52.945550 0.000060 LBFGSLineSearch: 20 01:33:01 -52.945550 0.000026 LBFGSLineSearch: 21 01:33:03 -52.945550 0.000027 LBFGSLineSearch: 22 01:33:03 -52.945550 0.000002 Minimization converged after 22 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:10 -50.593807 0.167981 LBFGSLineSearch: 1 01:33:12 -50.597691 0.136832 LBFGSLineSearch: 2 01:33:12 -50.600535 0.072697 LBFGSLineSearch: 3 01:33:13 -50.601262 0.059848 LBFGSLineSearch: 4 01:33:13 -50.601708 0.045985 LBFGSLineSearch: 5 01:33:14 -50.602023 0.021524 LBFGSLineSearch: 6 01:33:14 -50.602064 0.009451 LBFGSLineSearch: 7 01:33:15 -50.602090 0.011604 LBFGSLineSearch: 8 01:33:16 -50.602123 0.011340 LBFGSLineSearch: 9 01:33:16 -50.602145 0.010778 LBFGSLineSearch: 10 01:33:17 -50.602167 0.005030 LBFGSLineSearch: 11 01:33:19 -50.602175 0.004595 LBFGSLineSearch: 12 01:33:21 -50.602178 0.005203 LBFGSLineSearch: 13 01:33:22 -50.602186 0.004820 LBFGSLineSearch: 14 01:33:22 -50.602192 0.004142 LBFGSLineSearch: 15 01:33:23 -50.602207 0.004352 LBFGSLineSearch: 16 01:33:23 -50.605779 0.053813 LBFGSLineSearch: 17 01:33:24 -50.605780 0.053562 LBFGSLineSearch: 18 01:33:24 -50.606446 0.020187 LBFGSLineSearch: 19 01:33:26 -50.606551 0.020629 LBFGSLineSearch: 20 01:33:26 -50.606650 0.012499 LBFGSLineSearch: 21 01:33:27 -50.606671 0.008318 LBFGSLineSearch: 22 01:33:27 -50.606685 0.006510 LBFGSLineSearch: 23 01:33:28 -50.606694 0.005838 LBFGSLineSearch: 24 01:33:28 -50.606703 0.004955 LBFGSLineSearch: 25 01:33:28 -50.606715 0.004738 LBFGSLineSearch: 26 01:33:29 -50.606728 0.003336 LBFGSLineSearch: 27 01:33:30 -50.606730 0.000478 LBFGSLineSearch: 28 01:33:30 -50.606730 0.000006 Minimization converged after 28 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:38 -47.994134 0.186620 LBFGSLineSearch: 1 01:33:38 -47.999252 0.123078 LBFGSLineSearch: 2 01:33:39 -48.002616 0.070344 LBFGSLineSearch: 3 01:33:39 -48.003290 0.053234 LBFGSLineSearch: 4 01:33:39 -48.003773 0.041960 LBFGSLineSearch: 5 01:33:40 -48.004047 0.018395 LBFGSLineSearch: 6 01:33:40 -48.004092 0.019249 LBFGSLineSearch: 7 01:33:40 -48.004122 0.011524 LBFGSLineSearch: 8 01:33:41 -48.004140 0.009252 LBFGSLineSearch: 9 01:33:41 -48.004158 0.005962 LBFGSLineSearch: 10 01:33:42 -48.004166 0.004325 LBFGSLineSearch: 11 01:33:42 -48.004172 0.005223 LBFGSLineSearch: 12 01:33:43 -48.004180 0.003206 LBFGSLineSearch: 13 01:33:43 -48.004182 0.002391 LBFGSLineSearch: 14 01:33:44 -48.004182 0.001880 LBFGSLineSearch: 15 01:33:44 -48.004184 0.001722 LBFGSLineSearch: 16 01:33:46 -48.004185 0.001726 LBFGSLineSearch: 17 01:33:47 -48.004186 0.000229 LBFGSLineSearch: 18 01:33:47 -48.004186 0.000121 LBFGSLineSearch: 19 01:33:48 -48.004186 0.000114 LBFGSLineSearch: 20 01:33:48 -48.004186 0.000115 LBFGSLineSearch: 21 01:33:49 -48.004186 0.000087 LBFGSLineSearch: 22 01:33:50 -48.004186 0.000086 LBFGSLineSearch: 23 01:33:51 -48.004186 0.000056 LBFGSLineSearch: 24 01:33:52 -48.004186 0.000005 Minimization converged after 24 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:59 -45.094020 0.207870 LBFGSLineSearch: 1 01:34:00 -45.100512 0.126677 LBFGSLineSearch: 2 01:34:02 -45.104660 0.099928 LBFGSLineSearch: 3 01:34:02 -45.110996 0.263576 LBFGSLineSearch: 4 01:34:02 -45.111827 0.236956 LBFGSLineSearch: 5 01:34:03 -45.117376 0.161283 LBFGSLineSearch: 6 01:34:03 -45.119769 0.106495 LBFGSLineSearch: 7 01:34:04 -45.120892 0.105169 LBFGSLineSearch: 8 01:34:05 -45.121854 0.089049 LBFGSLineSearch: 9 01:34:05 -45.124542 0.092108 LBFGSLineSearch: 10 01:34:05 -45.126307 0.130049 LBFGSLineSearch: 11 01:34:06 -45.127919 0.043695 LBFGSLineSearch: 12 01:34:06 -45.128097 0.022781 LBFGSLineSearch: 13 01:34:07 -45.128218 0.018331 LBFGSLineSearch: 14 01:34:07 -45.128273 0.017898 LBFGSLineSearch: 15 01:34:07 -45.128319 0.017109 LBFGSLineSearch: 16 01:34:07 -45.128351 0.015693 LBFGSLineSearch: 17 01:34:08 -45.128394 0.018699 LBFGSLineSearch: 18 01:34:09 -45.128512 0.014259 LBFGSLineSearch: 19 01:34:11 -45.128561 0.011357 LBFGSLineSearch: 20 01:34:11 -45.128586 0.010274 LBFGSLineSearch: 21 01:34:12 -45.128611 0.008512 LBFGSLineSearch: 22 01:34:13 -45.128633 0.005874 LBFGSLineSearch: 23 01:34:14 -45.128639 0.002530 LBFGSLineSearch: 24 01:34:15 -45.128640 0.002279 LBFGSLineSearch: 25 01:34:16 -45.128641 0.002054 LBFGSLineSearch: 26 01:34:17 -45.128641 0.001546 LBFGSLineSearch: 27 01:34:19 -45.128643 0.002561 LBFGSLineSearch: 28 01:34:20 -45.128644 0.000699 LBFGSLineSearch: 29 01:34:20 -45.128644 0.000274 LBFGSLineSearch: 30 01:34:21 -45.128644 0.000382 LBFGSLineSearch: 31 01:34:21 -45.128644 0.000147 LBFGSLineSearch: 32 01:34:21 -45.128644 0.000017 LBFGSLineSearch: 33 01:34:22 -45.128644 0.000000 Minimization converged after 33 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:29 -41.901267 0.230527 LBFGSLineSearch: 1 01:34:29 -41.909277 0.136458 LBFGSLineSearch: 2 01:34:30 -41.913357 0.064380 LBFGSLineSearch: 3 01:34:30 -41.914056 0.050780 LBFGSLineSearch: 4 01:34:31 -41.914495 0.035090 LBFGSLineSearch: 5 01:34:32 -41.914664 0.020912 LBFGSLineSearch: 6 01:34:32 -41.914754 0.018230 LBFGSLineSearch: 7 01:34:33 -41.914811 0.022622 LBFGSLineSearch: 8 01:34:33 -41.914858 0.012718 LBFGSLineSearch: 9 01:34:34 -41.914892 0.012606 LBFGSLineSearch: 10 01:34:34 -41.914941 0.010243 LBFGSLineSearch: 11 01:34:35 -41.914964 0.010639 LBFGSLineSearch: 12 01:34:35 -41.914982 0.008041 LBFGSLineSearch: 13 01:34:35 -41.914994 0.005022 LBFGSLineSearch: 14 01:34:36 -41.914998 0.003804 LBFGSLineSearch: 15 01:34:37 -41.915000 0.003731 LBFGSLineSearch: 16 01:34:38 -41.915001 0.003461 LBFGSLineSearch: 17 01:34:39 -41.915002 0.002596 LBFGSLineSearch: 18 01:34:39 -41.915005 0.001584 LBFGSLineSearch: 19 01:34:41 -41.915006 0.001183 LBFGSLineSearch: 20 01:34:42 -41.915006 0.000968 LBFGSLineSearch: 21 01:34:43 -41.915007 0.000792 LBFGSLineSearch: 22 01:34:44 -41.915007 0.000566 LBFGSLineSearch: 23 01:34:44 -41.915007 0.000424 LBFGSLineSearch: 24 01:34:44 -41.915007 0.000387 LBFGSLineSearch: 25 01:34:45 -41.915007 0.000333 LBFGSLineSearch: 26 01:34:45 -41.915007 0.000291 LBFGSLineSearch: 27 01:34:45 -41.915007 0.000259 LBFGSLineSearch: 28 01:34:46 -41.915007 0.000258 LBFGSLineSearch: 29 01:34:46 -41.915007 0.000270 LBFGSLineSearch: 30 01:34:47 -41.915007 0.000067 LBFGSLineSearch: 31 01:34:47 -41.915007 0.000010 LBFGSLineSearch: 32 01:34:48 -41.915007 0.000001 Minimization converged after 32 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:54 -38.323022 0.256571 LBFGSLineSearch: 1 01:34:55 -38.333036 0.149415 LBFGSLineSearch: 2 01:34:55 -38.337696 0.067711 LBFGSLineSearch: 3 01:34:55 -38.338502 0.059841 LBFGSLineSearch: 4 01:34:56 -38.338955 0.033634 LBFGSLineSearch: 5 01:34:56 -38.339059 0.017294 LBFGSLineSearch: 6 01:34:57 -38.339108 0.018441 LBFGSLineSearch: 7 01:34:57 -38.339122 0.011566 LBFGSLineSearch: 8 01:34:58 -38.339138 0.009586 LBFGSLineSearch: 9 01:34:59 -38.339155 0.007146 LBFGSLineSearch: 10 01:35:00 -38.339167 0.006462 LBFGSLineSearch: 11 01:35:00 -38.339176 0.005400 LBFGSLineSearch: 12 01:35:01 -38.339181 0.003325 LBFGSLineSearch: 13 01:35:02 -38.339183 0.001265 LBFGSLineSearch: 14 01:35:03 -38.339184 0.001138 LBFGSLineSearch: 15 01:35:03 -38.339184 0.000873 LBFGSLineSearch: 16 01:35:05 -38.339184 0.000588 LBFGSLineSearch: 17 01:35:05 -38.339184 0.000611 LBFGSLineSearch: 18 01:35:06 -38.339184 0.000385 LBFGSLineSearch: 19 01:35:06 -38.339184 0.000281 LBFGSLineSearch: 20 01:35:07 -38.339184 0.000188 LBFGSLineSearch: 21 01:35:07 -38.339184 0.000031 LBFGSLineSearch: 22 01:35:08 -38.339184 0.000025 LBFGSLineSearch: 23 01:35:08 -38.339184 0.000009 Minimization converged after 23 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:15 -34.342160 0.285506 LBFGSLineSearch: 1 01:35:17 -34.353525 0.185792 LBFGSLineSearch: 2 01:35:17 -34.358649 0.070913 LBFGSLineSearch: 3 01:35:18 -34.359074 0.037912 LBFGSLineSearch: 4 01:35:18 -34.359300 0.028415 LBFGSLineSearch: 5 01:35:19 -34.359435 0.022902 LBFGSLineSearch: 6 01:35:19 -34.359507 0.016317 LBFGSLineSearch: 7 01:35:20 -34.359543 0.016642 LBFGSLineSearch: 8 01:35:20 -34.359571 0.017514 LBFGSLineSearch: 9 01:35:21 -34.359625 0.014303 LBFGSLineSearch: 10 01:35:22 -34.359671 0.012171 LBFGSLineSearch: 11 01:35:22 -34.359698 0.010698 LBFGSLineSearch: 12 01:35:24 -34.359713 0.004432 LBFGSLineSearch: 13 01:35:24 -34.359719 0.004071 LBFGSLineSearch: 14 01:35:25 -34.359720 0.001870 LBFGSLineSearch: 15 01:35:25 -34.359721 0.001422 LBFGSLineSearch: 16 01:35:26 -34.359721 0.001503 LBFGSLineSearch: 17 01:35:27 -34.359722 0.001235 LBFGSLineSearch: 18 01:35:28 -34.359722 0.000804 LBFGSLineSearch: 19 01:35:29 -34.359722 0.000464 LBFGSLineSearch: 20 01:35:29 -34.359722 0.000229 LBFGSLineSearch: 21 01:35:30 -34.359722 0.000088 LBFGSLineSearch: 22 01:35:31 -34.359722 0.000053 LBFGSLineSearch: 23 01:35:31 -34.359722 0.000015 LBFGSLineSearch: 24 01:35:32 -34.359722 0.000015 LBFGSLineSearch: 25 01:35:33 -34.359722 0.000003 Minimization converged after 25 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:40 -29.912514 0.317656 LBFGSLineSearch: 1 01:35:40 -29.927343 0.164033 LBFGSLineSearch: 2 01:35:41 -29.933644 0.134850 LBFGSLineSearch: 3 01:35:42 -29.936265 0.180147 LBFGSLineSearch: 4 01:35:42 -29.942133 0.115387 LBFGSLineSearch: 5 01:35:43 -29.942889 0.103539 LBFGSLineSearch: 6 01:35:44 -29.943482 0.031235 LBFGSLineSearch: 7 01:35:44 -29.943632 0.019425 LBFGSLineSearch: 8 01:35:45 -29.943667 0.022696 LBFGSLineSearch: 9 01:35:45 -29.943705 0.023290 LBFGSLineSearch: 10 01:35:46 -29.943787 0.017501 LBFGSLineSearch: 11 01:35:46 -29.943859 0.009869 LBFGSLineSearch: 12 01:35:47 -29.943869 0.005731 LBFGSLineSearch: 13 01:35:47 -29.943875 0.005270 LBFGSLineSearch: 14 01:35:48 -29.943878 0.004989 LBFGSLineSearch: 15 01:35:48 -29.943880 0.004350 LBFGSLineSearch: 16 01:35:49 -29.943882 0.003891 LBFGSLineSearch: 17 01:35:50 -29.943885 0.002945 LBFGSLineSearch: 18 01:35:51 -29.943887 0.001326 LBFGSLineSearch: 19 01:35:51 -29.943888 0.000636 LBFGSLineSearch: 20 01:35:52 -29.943888 0.000463 LBFGSLineSearch: 21 01:35:52 -29.943888 0.000301 LBFGSLineSearch: 22 01:35:52 -29.943888 0.000231 LBFGSLineSearch: 23 01:35:53 -29.943888 0.000281 LBFGSLineSearch: 24 01:35:53 -29.943888 0.000192 LBFGSLineSearch: 25 01:35:54 -29.943888 0.000107 LBFGSLineSearch: 26 01:35:55 -29.943888 0.000004 Minimization converged after 26 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:03 -25.003061 0.352918 LBFGSLineSearch: 1 01:36:03 -25.020524 0.177320 LBFGSLineSearch: 2 01:36:04 -25.026079 0.074620 LBFGSLineSearch: 3 01:36:04 -25.027199 0.078195 LBFGSLineSearch: 4 01:36:05 -25.027749 0.043266 LBFGSLineSearch: 5 01:36:05 -25.027971 0.035709 LBFGSLineSearch: 6 01:36:05 -25.028206 0.019609 LBFGSLineSearch: 7 01:36:06 -25.028324 0.020772 LBFGSLineSearch: 8 01:36:06 -25.028394 0.011290 LBFGSLineSearch: 9 01:36:07 -25.028431 0.007672 LBFGSLineSearch: 10 01:36:07 -25.028435 0.006400 LBFGSLineSearch: 11 01:36:08 -25.028438 0.005043 LBFGSLineSearch: 12 01:36:08 -25.028441 0.004350 LBFGSLineSearch: 13 01:36:09 -25.028449 0.004039 LBFGSLineSearch: 14 01:36:10 -25.028453 0.004788 LBFGSLineSearch: 15 01:36:10 -25.028456 0.003515 LBFGSLineSearch: 16 01:36:11 -25.028457 0.001604 LBFGSLineSearch: 17 01:36:12 -25.028457 0.000443 LBFGSLineSearch: 18 01:36:13 -25.028457 0.000334 LBFGSLineSearch: 19 01:36:13 -25.028457 0.000284 LBFGSLineSearch: 20 01:36:14 -25.028457 0.000270 LBFGSLineSearch: 21 01:36:15 -25.028457 0.000244 LBFGSLineSearch: 22 01:36:15 -25.028457 0.000169 LBFGSLineSearch: 23 01:36:16 -25.028457 0.000065 LBFGSLineSearch: 24 01:36:16 -25.028457 0.000003 Minimization converged after 24 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:23 -19.539650 0.392058 LBFGSLineSearch: 1 01:36:24 -19.562893 0.199172 LBFGSLineSearch: 2 01:36:25 -19.570961 0.105283 LBFGSLineSearch: 3 01:36:25 -19.572608 0.070211 LBFGSLineSearch: 4 01:36:26 -19.573698 0.025303 LBFGSLineSearch: 5 01:36:26 -19.574027 0.030675 LBFGSLineSearch: 6 01:36:26 -19.574187 0.021312 LBFGSLineSearch: 7 01:36:27 -19.574324 0.026219 LBFGSLineSearch: 8 01:36:28 -19.574431 0.028113 LBFGSLineSearch: 9 01:36:29 -19.574656 0.055882 LBFGSLineSearch: 10 01:36:30 -19.575069 0.073315 LBFGSLineSearch: 11 01:36:31 -19.575886 0.051643 LBFGSLineSearch: 12 01:36:32 -19.576827 0.073739 LBFGSLineSearch: 13 01:36:32 -19.577429 0.093432 LBFGSLineSearch: 14 01:36:33 -19.579545 0.134925 LBFGSLineSearch: 15 01:36:33 -19.580877 0.131888 LBFGSLineSearch: 16 01:36:34 -19.583027 0.120507 LBFGSLineSearch: 17 01:36:34 -19.585640 0.135871 LBFGSLineSearch: 18 01:36:34 -19.590703 0.197448 LBFGSLineSearch: 19 01:36:34 -19.595953 0.131348 LBFGSLineSearch: 20 01:36:34 -19.597623 0.144250 LBFGSLineSearch: 21 01:36:35 -19.599665 0.084309 LBFGSLineSearch: 22 01:36:35 -19.600286 0.069851 LBFGSLineSearch: 23 01:36:36 -19.600786 0.067807 LBFGSLineSearch: 24 01:36:36 -19.601317 0.061781 LBFGSLineSearch: 25 01:36:37 -19.601971 0.066468 LBFGSLineSearch: 26 01:36:38 -19.602960 0.047828 LBFGSLineSearch: 27 01:36:39 -19.603210 0.018312 LBFGSLineSearch: 28 01:36:39 -19.603245 0.009295 LBFGSLineSearch: 29 01:36:40 -19.603254 0.007796 LBFGSLineSearch: 30 01:36:41 -19.603264 0.008657 LBFGSLineSearch: 31 01:36:42 -19.603287 0.004641 LBFGSLineSearch: 32 01:36:44 -19.603291 0.001955 LBFGSLineSearch: 33 01:36:45 -19.603291 0.000176 LBFGSLineSearch: 34 01:36:46 -19.603291 0.000041 LBFGSLineSearch: 35 01:36:47 -19.603291 0.000001 Minimization converged after 35 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:54 -13.538430 0.433204 LBFGSLineSearch: 1 01:36:55 -13.566047 0.186706 LBFGSLineSearch: 2 01:36:56 -13.572897 0.055148 LBFGSLineSearch: 3 01:36:56 -13.573392 0.061641 LBFGSLineSearch: 4 01:36:56 -13.573736 0.064519 LBFGSLineSearch: 5 01:36:57 -13.573994 0.056247 LBFGSLineSearch: 6 01:36:57 -13.574291 0.042042 LBFGSLineSearch: 7 01:36:58 -13.574705 0.030952 LBFGSLineSearch: 8 01:36:58 -13.574925 0.019394 LBFGSLineSearch: 9 01:36:59 -13.575024 0.015528 LBFGSLineSearch: 10 01:36:59 -13.575076 0.011713 LBFGSLineSearch: 11 01:36:59 -13.575111 0.010204 LBFGSLineSearch: 12 01:37:00 -13.575161 0.010101 LBFGSLineSearch: 13 01:37:01 -13.575177 0.010845 LBFGSLineSearch: 14 01:37:01 -13.575188 0.005671 LBFGSLineSearch: 15 01:37:02 -13.575190 0.004142 LBFGSLineSearch: 16 01:37:02 -13.575196 0.002852 LBFGSLineSearch: 17 01:37:03 -13.575199 0.002694 LBFGSLineSearch: 18 01:37:03 -13.575202 0.002468 LBFGSLineSearch: 19 01:37:04 -13.575203 0.001124 LBFGSLineSearch: 20 01:37:05 -13.575203 0.000262 LBFGSLineSearch: 21 01:37:05 -13.575203 0.000102 LBFGSLineSearch: 22 01:37:08 -13.575203 0.000087 LBFGSLineSearch: 23 01:37:09 -13.575203 0.000121 LBFGSLineSearch: 24 01:37:11 -13.575203 0.000049 LBFGSLineSearch: 25 01:37:13 -13.575203 0.000013 LBFGSLineSearch: 26 01:37:15 -13.575203 0.000000 Minimization converged after 26 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:37:22 -6.850397 0.480343 LBFGSLineSearch: 1 01:37:23 -6.896263 0.128533 LBFGSLineSearch: 2 01:37:24 -6.897994 0.079296 LBFGSLineSearch: 3 01:37:24 -6.899106 0.053691 LBFGSLineSearch: 4 01:37:25 -6.899683 0.039000 LBFGSLineSearch: 5 01:37:26 -6.899857 0.023873 LBFGSLineSearch: 6 01:37:27 -6.899966 0.015770 LBFGSLineSearch: 7 01:37:27 -6.900022 0.015267 LBFGSLineSearch: 8 01:37:28 -6.900053 0.016361 LBFGSLineSearch: 9 01:37:28 -6.900098 0.024442 LBFGSLineSearch: 10 01:37:29 -6.900234 0.022777 LBFGSLineSearch: 11 01:37:29 -6.900443 0.036651 LBFGSLineSearch: 12 01:37:30 -6.901163 0.035427 LBFGSLineSearch: 13 01:37:30 -6.901380 0.030378 LBFGSLineSearch: 14 01:37:31 -6.901588 0.029330 LBFGSLineSearch: 15 01:37:31 -6.901752 0.037028 LBFGSLineSearch: 16 01:37:32 -6.901897 0.032682 LBFGSLineSearch: 17 01:37:32 -6.902149 0.046247 LBFGSLineSearch: 18 01:37:34 -6.902399 0.032043 LBFGSLineSearch: 19 01:37:35 -6.902533 0.040147 LBFGSLineSearch: 20 01:37:38 -6.902907 0.029191 LBFGSLineSearch: 21 01:37:39 -6.903083 0.016469 LBFGSLineSearch: 22 01:37:40 -6.903124 0.008690 LBFGSLineSearch: 23 01:37:40 -6.903133 0.002176 LBFGSLineSearch: 24 01:37:40 -6.903134 0.001178 LBFGSLineSearch: 25 01:37:41 -6.903134 0.000711 LBFGSLineSearch: 26 01:37:41 -6.903134 0.000704 LBFGSLineSearch: 27 01:37:41 -6.903134 0.000632 LBFGSLineSearch: 28 01:37:42 -6.903134 0.000511 LBFGSLineSearch: 29 01:37:42 -6.903134 0.000430 LBFGSLineSearch: 30 01:37:43 -6.903134 0.000193 LBFGSLineSearch: 31 01:37:43 -6.903134 0.000035 LBFGSLineSearch: 32 01:37:43 -6.903134 0.000000 Minimization converged after 32 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:37:50 0.527825 0.530783 LBFGSLineSearch: 1 01:37:51 0.485204 0.240872 LBFGSLineSearch: 2 01:37:52 0.472914 0.109312 LBFGSLineSearch: 3 01:37:53 0.471145 0.071144 LBFGSLineSearch: 4 01:37:53 0.470071 0.042037 LBFGSLineSearch: 5 01:37:54 0.469687 0.036927 LBFGSLineSearch: 6 01:37:55 0.469581 0.018015 LBFGSLineSearch: 7 01:37:56 0.469462 0.025899 LBFGSLineSearch: 8 01:37:57 0.469331 0.023205 LBFGSLineSearch: 9 01:37:57 0.469233 0.020479 LBFGSLineSearch: 10 01:37:57 0.469143 0.030660 LBFGSLineSearch: 11 01:37:58 0.468774 0.019164 LBFGSLineSearch: 12 01:37:59 0.468633 0.015445 LBFGSLineSearch: 13 01:38:00 0.468594 0.010777 LBFGSLineSearch: 14 01:38:00 0.468578 0.012053 LBFGSLineSearch: 15 01:38:01 0.468526 0.014429 LBFGSLineSearch: 16 01:38:02 0.468482 0.009941 LBFGSLineSearch: 17 01:38:03 0.468458 0.006332 LBFGSLineSearch: 18 01:38:04 0.468451 0.005366 LBFGSLineSearch: 19 01:38:04 0.468448 0.001150 LBFGSLineSearch: 20 01:38:05 0.468447 0.001312 LBFGSLineSearch: 21 01:38:06 0.468447 0.001283 LBFGSLineSearch: 22 01:38:09 0.468447 0.000814 LBFGSLineSearch: 23 01:38:11 0.468447 0.000915 LBFGSLineSearch: 24 01:38:12 0.468447 0.000025 LBFGSLineSearch: 25 01:38:12 0.468447 0.000001 Minimization converged after 25 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:20 8.673661 0.586087 LBFGSLineSearch: 1 01:38:22 8.621773 0.264363 LBFGSLineSearch: 2 01:38:22 8.608997 0.073102 LBFGSLineSearch: 3 01:38:23 8.607935 0.058498 LBFGSLineSearch: 4 01:38:23 8.607521 0.037631 LBFGSLineSearch: 5 01:38:24 8.607301 0.033962 LBFGSLineSearch: 6 01:38:24 8.607172 0.033977 LBFGSLineSearch: 7 01:38:25 8.607020 0.025038 LBFGSLineSearch: 8 01:38:26 8.606796 0.016240 LBFGSLineSearch: 9 01:38:26 8.606750 0.009504 LBFGSLineSearch: 10 01:38:27 8.606734 0.007775 LBFGSLineSearch: 11 01:38:28 8.606702 0.006650 LBFGSLineSearch: 12 01:38:28 8.606687 0.011336 LBFGSLineSearch: 13 01:38:29 8.606675 0.004338 LBFGSLineSearch: 14 01:38:29 8.606672 0.002639 LBFGSLineSearch: 15 01:38:30 8.606672 0.002342 LBFGSLineSearch: 16 01:38:31 8.606671 0.001942 LBFGSLineSearch: 17 01:38:31 8.606670 0.002182 LBFGSLineSearch: 18 01:38:32 8.606669 0.003409 LBFGSLineSearch: 19 01:38:33 8.606667 0.000874 LBFGSLineSearch: 20 01:38:34 8.606667 0.000783 LBFGSLineSearch: 21 01:38:34 8.606667 0.000954 LBFGSLineSearch: 22 01:38:35 8.606667 0.000135 LBFGSLineSearch: 23 01:38:35 8.606667 0.000003 Minimization converged after 23 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:42 17.669215 0.647326 LBFGSLineSearch: 1 01:38:43 17.605741 0.272103 LBFGSLineSearch: 2 01:38:43 17.591699 0.073686 LBFGSLineSearch: 3 01:38:45 17.590855 0.034792 LBFGSLineSearch: 4 01:38:46 17.590606 0.028838 LBFGSLineSearch: 5 01:38:47 17.590360 0.033830 LBFGSLineSearch: 6 01:38:48 17.590057 0.047144 LBFGSLineSearch: 7 01:38:49 17.589658 0.026797 LBFGSLineSearch: 8 01:38:50 17.589537 0.015369 LBFGSLineSearch: 9 01:38:50 17.589510 0.015954 LBFGSLineSearch: 10 01:38:51 17.589476 0.012208 LBFGSLineSearch: 11 01:38:52 17.589439 0.017597 LBFGSLineSearch: 12 01:38:53 17.589387 0.008027 LBFGSLineSearch: 13 01:38:53 17.589375 0.004050 LBFGSLineSearch: 14 01:38:54 17.589372 0.002192 LBFGSLineSearch: 15 01:38:55 17.589372 0.001376 LBFGSLineSearch: 16 01:38:55 17.589371 0.000419 LBFGSLineSearch: 17 01:38:56 17.589371 0.000265 LBFGSLineSearch: 18 01:38:57 17.589371 0.000243 LBFGSLineSearch: 19 01:38:57 17.589371 0.000236 LBFGSLineSearch: 20 01:38:58 17.589371 0.000159 LBFGSLineSearch: 21 01:38:59 17.589371 0.000092 LBFGSLineSearch: 22 01:38:59 17.589371 0.000094 LBFGSLineSearch: 23 01:39:00 17.589371 0.000017 LBFGSLineSearch: 24 01:39:00 17.589371 0.000000 Minimization converged after 24 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:08 27.584393 0.713930 LBFGSLineSearch: 1 01:39:09 27.508369 0.285760 LBFGSLineSearch: 2 01:39:09 27.494213 0.076710 LBFGSLineSearch: 3 01:39:10 27.493239 0.040746 LBFGSLineSearch: 4 01:39:10 27.492898 0.041002 LBFGSLineSearch: 5 01:39:12 27.492621 0.034929 LBFGSLineSearch: 6 01:39:13 27.492355 0.024378 LBFGSLineSearch: 7 01:39:15 27.492275 0.011624 LBFGSLineSearch: 8 01:39:15 27.492253 0.006429 LBFGSLineSearch: 9 01:39:16 27.492248 0.005996 LBFGSLineSearch: 10 01:39:16 27.492245 0.005213 LBFGSLineSearch: 11 01:39:17 27.492243 0.004227 LBFGSLineSearch: 12 01:39:18 27.492236 0.004679 LBFGSLineSearch: 13 01:39:19 27.492230 0.006291 LBFGSLineSearch: 14 01:39:19 27.492225 0.002211 LBFGSLineSearch: 15 01:39:20 27.492224 0.002176 LBFGSLineSearch: 16 01:39:21 27.492224 0.001660 LBFGSLineSearch: 17 01:39:23 27.492223 0.001552 LBFGSLineSearch: 18 01:39:23 27.492222 0.002205 LBFGSLineSearch: 19 01:39:24 27.492221 0.000964 LBFGSLineSearch: 20 01:39:24 27.492221 0.000160 LBFGSLineSearch: 21 01:39:26 27.492221 0.000126 LBFGSLineSearch: 22 01:39:26 27.492221 0.000108 LBFGSLineSearch: 23 01:39:28 27.492221 0.000029 LBFGSLineSearch: 24 01:39:29 27.492221 0.000002 Minimization converged after 24 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:35 38.511538 0.787094 LBFGSLineSearch: 1 01:39:36 38.422593 0.267534 LBFGSLineSearch: 2 01:39:36 38.410341 0.068622 LBFGSLineSearch: 3 01:39:37 38.409420 0.026463 LBFGSLineSearch: 4 01:39:37 38.409305 0.022262 LBFGSLineSearch: 5 01:39:37 38.409261 0.013427 LBFGSLineSearch: 6 01:39:38 38.409179 0.016507 LBFGSLineSearch: 7 01:39:38 38.409137 0.013096 LBFGSLineSearch: 8 01:39:39 38.409101 0.013429 LBFGSLineSearch: 9 01:39:39 38.409080 0.012156 LBFGSLineSearch: 10 01:39:39 38.409062 0.009232 LBFGSLineSearch: 11 01:39:40 38.409036 0.010640 LBFGSLineSearch: 12 01:39:40 38.409012 0.004768 LBFGSLineSearch: 13 01:39:41 38.409004 0.004991 LBFGSLineSearch: 14 01:39:41 38.409000 0.003678 LBFGSLineSearch: 15 01:39:42 38.408998 0.003450 LBFGSLineSearch: 16 01:39:43 38.408994 0.005363 LBFGSLineSearch: 17 01:39:43 38.408987 0.000803 LBFGSLineSearch: 18 01:39:44 38.408987 0.000247 LBFGSLineSearch: 19 01:39:44 38.408987 0.000106 LBFGSLineSearch: 20 01:39:44 38.408987 0.000097 LBFGSLineSearch: 21 01:39:45 38.408987 0.000079 LBFGSLineSearch: 22 01:39:45 38.408987 0.000011 LBFGSLineSearch: 23 01:39:46 38.408987 0.000000 Minimization converged after 23 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:53 50.551141 0.867297 LBFGSLineSearch: 1 01:39:54 50.446205 0.264973 LBFGSLineSearch: 2 01:39:55 50.434886 0.070985 LBFGSLineSearch: 3 01:39:55 50.433985 0.035005 LBFGSLineSearch: 4 01:39:56 50.433878 0.014243 LBFGSLineSearch: 5 01:39:56 50.433839 0.016216 LBFGSLineSearch: 6 01:39:57 50.433809 0.016546 LBFGSLineSearch: 7 01:39:57 50.433742 0.018947 LBFGSLineSearch: 8 01:39:58 50.433700 0.013244 LBFGSLineSearch: 9 01:39:58 50.433674 0.012278 LBFGSLineSearch: 10 01:39:59 50.433656 0.006949 LBFGSLineSearch: 11 01:40:00 50.433641 0.010148 LBFGSLineSearch: 12 01:40:00 50.433625 0.007891 LBFGSLineSearch: 13 01:40:00 50.433617 0.006197 LBFGSLineSearch: 14 01:40:01 50.433612 0.003203 LBFGSLineSearch: 15 01:40:01 50.433610 0.003326 LBFGSLineSearch: 16 01:40:03 50.433607 0.003544 LBFGSLineSearch: 17 01:40:05 50.433603 0.001607 LBFGSLineSearch: 18 01:40:06 50.433602 0.000386 LBFGSLineSearch: 19 01:40:06 50.433602 0.000126 LBFGSLineSearch: 20 01:40:07 50.433602 0.000034 LBFGSLineSearch: 21 01:40:07 50.433602 0.000029 LBFGSLineSearch: 22 01:40:08 50.433602 0.000000 Minimization converged after 22 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:14 63.802856 0.954947 LBFGSLineSearch: 1 01:40:15 63.679365 0.256859 LBFGSLineSearch: 2 01:40:16 63.669183 0.073217 LBFGSLineSearch: 3 01:40:17 63.668304 0.042136 LBFGSLineSearch: 4 01:40:17 63.668179 0.017558 LBFGSLineSearch: 5 01:40:17 63.668142 0.016828 LBFGSLineSearch: 6 01:40:18 63.668112 0.015675 LBFGSLineSearch: 7 01:40:19 63.668045 0.015774 LBFGSLineSearch: 8 01:40:20 63.668000 0.013514 LBFGSLineSearch: 9 01:40:20 63.667966 0.012352 LBFGSLineSearch: 10 01:40:21 63.667946 0.006509 LBFGSLineSearch: 11 01:40:21 63.667933 0.006580 LBFGSLineSearch: 12 01:40:22 63.667920 0.006961 LBFGSLineSearch: 13 01:40:22 63.667909 0.005905 LBFGSLineSearch: 14 01:40:23 63.667906 0.003802 LBFGSLineSearch: 15 01:40:24 63.667905 0.003256 LBFGSLineSearch: 16 01:40:24 63.667904 0.003847 LBFGSLineSearch: 17 01:40:25 63.667898 0.003270 LBFGSLineSearch: 18 01:40:26 63.667896 0.001287 LBFGSLineSearch: 19 01:40:26 63.667896 0.000452 LBFGSLineSearch: 20 01:40:27 63.667896 0.000081 LBFGSLineSearch: 21 01:40:27 63.667896 0.000045 LBFGSLineSearch: 22 01:40:28 63.667896 0.000049 LBFGSLineSearch: 23 01:40:28 63.667896 0.000032 LBFGSLineSearch: 24 01:40:29 63.667896 0.000000 Minimization converged after 24 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:36 78.375988 1.050578 LBFGSLineSearch: 1 01:40:37 78.231552 0.238474 LBFGSLineSearch: 2 01:40:37 78.223023 0.072002 LBFGSLineSearch: 3 01:40:38 78.222175 0.048351 LBFGSLineSearch: 4 01:40:39 78.222025 0.021857 LBFGSLineSearch: 5 01:40:40 78.221985 0.016324 LBFGSLineSearch: 6 01:40:40 78.221951 0.016809 LBFGSLineSearch: 7 01:40:41 78.221898 0.019509 LBFGSLineSearch: 8 01:40:42 78.221852 0.013664 LBFGSLineSearch: 9 01:40:43 78.221806 0.013612 LBFGSLineSearch: 10 01:40:44 78.221782 0.006254 LBFGSLineSearch: 11 01:40:45 78.221770 0.007554 LBFGSLineSearch: 12 01:40:45 78.221755 0.007382 LBFGSLineSearch: 13 01:40:46 78.221742 0.003724 LBFGSLineSearch: 14 01:40:46 78.221741 0.003320 LBFGSLineSearch: 15 01:40:47 78.221735 0.003531 LBFGSLineSearch: 16 01:40:48 78.221731 0.001785 LBFGSLineSearch: 17 01:40:49 78.221730 0.000598 LBFGSLineSearch: 18 01:40:50 78.221730 0.000583 LBFGSLineSearch: 19 01:40:50 78.221730 0.000440 LBFGSLineSearch: 20 01:40:51 78.221730 0.000093 LBFGSLineSearch: 21 01:40:52 78.221730 0.000000 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:58 94.390181 1.154889 LBFGSLineSearch: 1 01:40:59 94.221392 0.215251 LBFGSLineSearch: 2 01:40:59 94.214351 0.079026 LBFGSLineSearch: 3 01:41:00 94.213504 0.057794 LBFGSLineSearch: 4 01:41:00 94.213319 0.028206 LBFGSLineSearch: 5 01:41:01 94.213268 0.022122 LBFGSLineSearch: 6 01:41:02 94.213220 0.020908 LBFGSLineSearch: 7 01:41:03 94.213121 0.030305 LBFGSLineSearch: 8 01:41:04 94.213035 0.023503 LBFGSLineSearch: 9 01:41:05 94.212946 0.017373 LBFGSLineSearch: 10 01:41:06 94.212907 0.007116 LBFGSLineSearch: 11 01:41:07 94.212893 0.006625 LBFGSLineSearch: 12 01:41:07 94.212877 0.008118 LBFGSLineSearch: 13 01:41:10 94.212863 0.004322 LBFGSLineSearch: 14 01:41:13 94.212861 0.004504 LBFGSLineSearch: 15 01:41:16 94.212855 0.003845 LBFGSLineSearch: 16 01:41:17 94.212846 0.004132 LBFGSLineSearch: 17 01:41:17 94.212845 0.001268 LBFGSLineSearch: 18 01:41:19 94.212844 0.000201 LBFGSLineSearch: 19 01:41:19 94.212844 0.000127 LBFGSLineSearch: 20 01:41:20 94.212844 0.000117 LBFGSLineSearch: 21 01:41:20 94.212844 0.000049 LBFGSLineSearch: 22 01:41:21 94.212844 0.000001 Minimization converged after 22 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:27 111.969462 1.268331 LBFGSLineSearch: 1 01:41:28 111.773905 0.176295 LBFGSLineSearch: 2 01:41:29 111.768727 0.084227 LBFGSLineSearch: 3 01:41:29 111.768009 0.048696 LBFGSLineSearch: 4 01:41:30 111.767671 0.032642 LBFGSLineSearch: 5 01:41:30 111.767606 0.023450 LBFGSLineSearch: 6 01:41:31 111.767541 0.026055 LBFGSLineSearch: 7 01:41:31 111.767419 0.039530 LBFGSLineSearch: 8 01:41:33 111.767299 0.023616 LBFGSLineSearch: 9 01:41:34 111.767166 0.019050 LBFGSLineSearch: 10 01:41:34 111.767118 0.009246 LBFGSLineSearch: 11 01:41:35 111.767105 0.008082 LBFGSLineSearch: 12 01:41:35 111.767088 0.008511 LBFGSLineSearch: 13 01:41:35 111.767069 0.005240 LBFGSLineSearch: 14 01:41:36 111.767066 0.004640 LBFGSLineSearch: 15 01:41:36 111.767058 0.007008 LBFGSLineSearch: 16 01:41:37 111.767048 0.008691 LBFGSLineSearch: 17 01:41:38 111.767045 0.003546 LBFGSLineSearch: 18 01:41:39 111.767045 0.000320 LBFGSLineSearch: 19 01:41:40 111.767045 0.000256 LBFGSLineSearch: 20 01:41:40 111.767045 0.000123 LBFGSLineSearch: 21 01:41:42 111.767045 0.000019 LBFGSLineSearch: 22 01:41:44 111.767045 0.000000 Minimization converged after 22 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:51 131.251419 1.391741 LBFGSLineSearch: 1 01:41:52 131.026864 0.151033 LBFGSLineSearch: 2 01:41:52 131.023387 0.088266 LBFGSLineSearch: 3 01:41:53 131.022557 0.062501 LBFGSLineSearch: 4 01:41:53 131.022292 0.036725 LBFGSLineSearch: 5 01:41:54 131.022211 0.027184 LBFGSLineSearch: 6 01:41:55 131.022131 0.030031 LBFGSLineSearch: 7 01:41:55 131.021977 0.043643 LBFGSLineSearch: 8 01:41:56 131.021822 0.029384 LBFGSLineSearch: 9 01:41:57 131.021617 0.017407 LBFGSLineSearch: 10 01:41:57 131.021580 0.009987 LBFGSLineSearch: 11 01:41:58 131.021550 0.010256 LBFGSLineSearch: 12 01:41:58 131.021522 0.009589 LBFGSLineSearch: 13 01:41:59 131.021510 0.005875 LBFGSLineSearch: 14 01:42:00 131.021504 0.005733 LBFGSLineSearch: 15 01:42:00 131.021485 0.009022 LBFGSLineSearch: 16 01:42:00 131.021479 0.002776 LBFGSLineSearch: 17 01:42:00 131.021478 0.001257 LBFGSLineSearch: 18 01:42:01 131.021478 0.001551 LBFGSLineSearch: 19 01:42:01 131.021478 0.000460 LBFGSLineSearch: 20 01:42:02 131.021477 0.000147 LBFGSLineSearch: 21 01:42:03 131.021477 0.000016 LBFGSLineSearch: 22 01:42:03 131.021477 0.000000 Minimization converged after 22 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:10 152.384593 1.525937 LBFGSLineSearch: 1 01:42:12 152.129024 0.170284 LBFGSLineSearch: 2 01:42:13 152.126548 0.097274 LBFGSLineSearch: 3 01:42:14 152.125690 0.085681 LBFGSLineSearch: 4 01:42:15 152.125475 0.032822 LBFGSLineSearch: 5 01:42:16 152.125421 0.028309 LBFGSLineSearch: 6 01:42:17 152.125365 0.028229 LBFGSLineSearch: 7 01:42:17 152.125272 0.031655 LBFGSLineSearch: 8 01:42:18 152.125148 0.035719 LBFGSLineSearch: 9 01:42:19 152.124892 0.017646 LBFGSLineSearch: 10 01:42:20 152.124863 0.009183 LBFGSLineSearch: 11 01:42:22 152.124853 0.009358 LBFGSLineSearch: 12 01:42:24 152.124842 0.008698 LBFGSLineSearch: 13 01:42:24 152.124816 0.007952 LBFGSLineSearch: 14 01:42:25 152.124808 0.004053 LBFGSLineSearch: 15 01:42:25 152.124803 0.007580 LBFGSLineSearch: 16 01:42:26 152.124794 0.002880 LBFGSLineSearch: 17 01:42:27 152.124793 0.001174 LBFGSLineSearch: 18 01:42:27 152.124793 0.001139 LBFGSLineSearch: 19 01:42:28 152.124793 0.000926 LBFGSLineSearch: 20 01:42:28 152.124792 0.000504 LBFGSLineSearch: 21 01:42:28 152.124792 0.000170 LBFGSLineSearch: 22 01:42:30 152.124792 0.000001 Minimization converged after 22 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:37 175.531056 1.671876 LBFGSLineSearch: 1 01:42:37 175.240053 0.187813 LBFGSLineSearch: 2 01:42:38 175.237218 0.101419 LBFGSLineSearch: 3 01:42:39 175.236358 0.102316 LBFGSLineSearch: 4 01:42:39 175.236022 0.040443 LBFGSLineSearch: 5 01:42:39 175.235896 0.029596 LBFGSLineSearch: 6 01:42:40 175.235690 0.046648 LBFGSLineSearch: 7 01:42:40 175.235405 0.034418 LBFGSLineSearch: 8 01:42:41 175.235075 0.042019 LBFGSLineSearch: 9 01:42:41 175.234899 0.016097 LBFGSLineSearch: 10 01:42:42 175.234833 0.021265 LBFGSLineSearch: 11 01:42:42 175.234724 0.009967 LBFGSLineSearch: 12 01:42:43 175.234711 0.009616 LBFGSLineSearch: 13 01:42:44 175.234700 0.011778 LBFGSLineSearch: 14 01:42:45 175.234669 0.018350 LBFGSLineSearch: 15 01:42:46 175.234654 0.007133 LBFGSLineSearch: 16 01:42:46 175.234652 0.002829 LBFGSLineSearch: 17 01:42:47 175.234651 0.002413 LBFGSLineSearch: 18 01:42:47 175.234649 0.002489 LBFGSLineSearch: 19 01:42:48 175.234649 0.000906 LBFGSLineSearch: 20 01:42:48 175.234649 0.000003 Minimization converged after 20 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:55 200.853409 1.829912 LBFGSLineSearch: 1 01:42:55 200.524875 0.199167 LBFGSLineSearch: 2 01:42:56 200.521670 0.114866 LBFGSLineSearch: 3 01:42:56 200.520905 0.123951 LBFGSLineSearch: 4 01:42:56 200.520439 0.044375 LBFGSLineSearch: 5 01:42:57 200.520332 0.037374 LBFGSLineSearch: 6 01:42:57 200.520151 0.032797 LBFGSLineSearch: 7 01:42:59 200.519916 0.040344 LBFGSLineSearch: 8 01:42:59 200.519647 0.037367 LBFGSLineSearch: 9 01:43:00 200.519299 0.041024 LBFGSLineSearch: 10 01:43:02 200.519190 0.023101 LBFGSLineSearch: 11 01:43:05 200.519127 0.015673 LBFGSLineSearch: 12 01:43:06 200.519057 0.026425 LBFGSLineSearch: 13 01:43:06 200.518959 0.011014 LBFGSLineSearch: 14 01:43:07 200.518936 0.018923 LBFGSLineSearch: 15 01:43:08 200.518886 0.005610 LBFGSLineSearch: 16 01:43:09 200.518884 0.003655 LBFGSLineSearch: 17 01:43:09 200.518883 0.003401 LBFGSLineSearch: 18 01:43:09 200.518882 0.004300 LBFGSLineSearch: 19 01:43:10 200.518878 0.000608 LBFGSLineSearch: 20 01:43:10 200.518878 0.000203 LBFGSLineSearch: 21 01:43:11 200.518878 0.000024 LBFGSLineSearch: 22 01:43:11 200.518878 0.000002 Minimization converged after 22 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:18 228.537831 2.001354 LBFGSLineSearch: 1 01:43:19 228.167694 0.211029 LBFGSLineSearch: 2 01:43:19 228.164119 0.133040 LBFGSLineSearch: 3 01:43:20 228.163142 0.080934 LBFGSLineSearch: 4 01:43:20 228.162855 0.047791 LBFGSLineSearch: 5 01:43:21 228.162658 0.040163 LBFGSLineSearch: 6 01:43:22 228.162459 0.039335 LBFGSLineSearch: 7 01:43:24 228.162203 0.038782 LBFGSLineSearch: 8 01:43:24 228.161881 0.041465 LBFGSLineSearch: 9 01:43:24 228.161457 0.022084 LBFGSLineSearch: 10 01:43:25 228.161322 0.021082 LBFGSLineSearch: 11 01:43:25 228.161244 0.012724 LBFGSLineSearch: 12 01:43:25 228.161206 0.012369 LBFGSLineSearch: 13 01:43:27 228.161195 0.012087 LBFGSLineSearch: 14 01:43:29 228.161145 0.014874 LBFGSLineSearch: 15 01:43:29 228.161110 0.004419 LBFGSLineSearch: 16 01:43:30 228.161108 0.004510 LBFGSLineSearch: 17 01:43:30 228.161102 0.003573 LBFGSLineSearch: 18 01:43:31 228.161101 0.000786 LBFGSLineSearch: 19 01:43:31 228.161100 0.000004 Minimization converged after 19 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:38 258.781124 2.187147 LBFGSLineSearch: 1 01:43:38 258.364556 0.223752 LBFGSLineSearch: 2 01:43:39 258.360582 0.155865 LBFGSLineSearch: 3 01:43:39 258.359553 0.079708 LBFGSLineSearch: 4 01:43:40 258.359250 0.051938 LBFGSLineSearch: 5 01:43:41 258.359004 0.046177 LBFGSLineSearch: 6 01:43:41 258.358781 0.044594 LBFGSLineSearch: 7 01:43:41 258.358488 0.044087 LBFGSLineSearch: 8 01:43:42 258.358104 0.045306 LBFGSLineSearch: 9 01:43:43 258.357664 0.025786 LBFGSLineSearch: 10 01:43:44 258.357490 0.024180 LBFGSLineSearch: 11 01:43:44 258.357368 0.014344 LBFGSLineSearch: 12 01:43:45 258.357347 0.014649 LBFGSLineSearch: 13 01:43:45 258.357331 0.015048 LBFGSLineSearch: 14 01:43:45 258.357234 0.011062 LBFGSLineSearch: 15 01:43:46 258.357224 0.005774 LBFGSLineSearch: 16 01:43:46 258.357221 0.005561 LBFGSLineSearch: 17 01:43:47 258.357218 0.005396 LBFGSLineSearch: 18 01:43:47 258.357208 0.000373 LBFGSLineSearch: 19 01:43:47 258.357208 0.000000 Minimization converged after 19 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:55 291.793162 2.388282 LBFGSLineSearch: 1 01:43:56 291.325231 0.236918 LBFGSLineSearch: 2 01:43:56 291.320866 0.184558 LBFGSLineSearch: 3 01:43:56 291.319753 0.076523 LBFGSLineSearch: 4 01:43:57 291.319440 0.056092 LBFGSLineSearch: 5 01:43:57 291.319147 0.051917 LBFGSLineSearch: 6 01:43:57 291.318912 0.048893 LBFGSLineSearch: 7 01:43:58 291.318566 0.049227 LBFGSLineSearch: 8 01:43:58 291.318121 0.050045 LBFGSLineSearch: 9 01:43:59 291.317675 0.027890 LBFGSLineSearch: 10 01:43:59 291.317485 0.037161 LBFGSLineSearch: 11 01:44:00 291.317319 0.021553 LBFGSLineSearch: 12 01:44:01 291.317290 0.018286 LBFGSLineSearch: 13 01:44:01 291.317272 0.017677 LBFGSLineSearch: 14 01:44:02 291.317235 0.026657 LBFGSLineSearch: 15 01:44:03 291.317121 0.006900 LBFGSLineSearch: 16 01:44:04 291.317116 0.006763 LBFGSLineSearch: 17 01:44:04 291.317111 0.007054 LBFGSLineSearch: 18 01:44:05 291.317095 0.001642 LBFGSLineSearch: 19 01:44:05 291.317094 0.000117 LBFGSLineSearch: 20 01:44:05 291.317094 0.000008 Minimization converged after 20 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:12 327.799262 2.605870 LBFGSLineSearch: 1 01:44:13 327.274609 0.253991 LBFGSLineSearch: 2 01:44:14 327.269887 0.219565 LBFGSLineSearch: 3 01:44:16 327.268644 0.086155 LBFGSLineSearch: 4 01:44:17 327.268322 0.068377 LBFGSLineSearch: 5 01:44:18 327.267996 0.055991 LBFGSLineSearch: 6 01:44:18 327.267750 0.051660 LBFGSLineSearch: 7 01:44:18 327.267331 0.053839 LBFGSLineSearch: 8 01:44:19 327.266862 0.055450 LBFGSLineSearch: 9 01:44:20 327.266383 0.032666 LBFGSLineSearch: 10 01:44:21 327.266158 0.040980 LBFGSLineSearch: 11 01:44:22 327.265950 0.023536 LBFGSLineSearch: 12 01:44:23 327.265912 0.022927 LBFGSLineSearch: 13 01:44:23 327.265877 0.020615 LBFGSLineSearch: 14 01:44:24 327.265663 0.009776 LBFGSLineSearch: 15 01:44:24 327.265658 0.008629 LBFGSLineSearch: 16 01:44:25 327.265625 0.009598 LBFGSLineSearch: 17 01:44:25 327.265621 0.001386 LBFGSLineSearch: 18 01:44:26 327.265621 0.000001 Minimization converged after 18 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:34 367.040595 2.841069 LBFGSLineSearch: 1 01:44:34 366.453394 0.281757 LBFGSLineSearch: 2 01:44:35 366.448378 0.260973 LBFGSLineSearch: 3 01:44:35 366.446949 0.106108 LBFGSLineSearch: 4 01:44:36 366.446609 0.084686 LBFGSLineSearch: 5 01:44:36 366.446335 0.056591 LBFGSLineSearch: 6 01:44:37 366.446016 0.053647 LBFGSLineSearch: 7 01:44:38 366.445713 0.099477 LBFGSLineSearch: 8 01:44:38 366.445353 0.053324 LBFGSLineSearch: 9 01:44:39 366.444820 0.062874 LBFGSLineSearch: 10 01:44:39 366.444341 0.045431 LBFGSLineSearch: 11 01:44:40 366.444110 0.045051 LBFGSLineSearch: 12 01:44:40 366.443930 0.023449 LBFGSLineSearch: 13 01:44:41 366.443882 0.027053 LBFGSLineSearch: 14 01:44:41 366.443814 0.032121 LBFGSLineSearch: 15 01:44:42 366.443557 0.013365 LBFGSLineSearch: 16 01:44:42 366.443503 0.011072 LBFGSLineSearch: 17 01:44:43 366.443489 0.010796 LBFGSLineSearch: 18 01:44:43 366.443454 0.012815 LBFGSLineSearch: 19 01:44:43 366.443441 0.005152 LBFGSLineSearch: 20 01:44:44 366.443439 0.000102 LBFGSLineSearch: 21 01:44:45 366.443439 0.000014 LBFGSLineSearch: 22 01:44:47 366.443439 0.000000 Minimization converged after 22 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:54 409.774971 3.095109 LBFGSLineSearch: 1 01:44:55 409.118899 0.310920 LBFGSLineSearch: 2 01:44:55 409.113692 0.308206 LBFGSLineSearch: 3 01:44:56 409.112006 0.131750 LBFGSLineSearch: 4 01:44:57 409.111539 0.069978 LBFGSLineSearch: 5 01:44:57 409.111218 0.065004 LBFGSLineSearch: 6 01:44:57 409.110684 0.069560 LBFGSLineSearch: 7 01:44:58 409.110392 0.057429 LBFGSLineSearch: 8 01:44:58 409.109863 0.070513 LBFGSLineSearch: 9 01:44:59 409.109274 0.050093 LBFGSLineSearch: 10 01:44:59 409.108942 0.034836 LBFGSLineSearch: 11 01:45:00 409.108637 0.040367 LBFGSLineSearch: 12 01:45:01 409.108571 0.035866 LBFGSLineSearch: 13 01:45:01 409.108423 0.077358 LBFGSLineSearch: 14 01:45:02 409.107896 0.014904 LBFGSLineSearch: 15 01:45:02 409.107870 0.015304 LBFGSLineSearch: 16 01:45:04 409.107843 0.013992 LBFGSLineSearch: 17 01:45:04 409.107755 0.009871 LBFGSLineSearch: 18 01:45:05 409.107744 0.001347 LBFGSLineSearch: 19 01:45:06 409.107744 0.000008 Minimization converged after 19 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:13 456.277445 3.369267 LBFGSLineSearch: 1 01:45:13 455.545667 0.340755 LBFGSLineSearch: 2 01:45:14 455.540413 0.359213 LBFGSLineSearch: 3 01:45:15 455.538394 0.162753 LBFGSLineSearch: 4 01:45:16 455.537788 0.075606 LBFGSLineSearch: 5 01:45:16 455.537520 0.063859 LBFGSLineSearch: 6 01:45:17 455.536885 0.082984 LBFGSLineSearch: 7 01:45:17 455.536580 0.106138 LBFGSLineSearch: 8 01:45:18 455.536106 0.055336 LBFGSLineSearch: 9 01:45:18 455.535489 0.069637 LBFGSLineSearch: 10 01:45:19 455.534961 0.042708 LBFGSLineSearch: 11 01:45:19 455.534658 0.063970 LBFGSLineSearch: 12 01:45:20 455.534416 0.051010 LBFGSLineSearch: 13 01:45:20 455.534101 0.052577 LBFGSLineSearch: 14 01:45:20 455.533060 0.089903 LBFGSLineSearch: 15 01:45:21 455.532870 0.022487 LBFGSLineSearch: 16 01:45:22 455.532837 0.024152 LBFGSLineSearch: 17 01:45:22 455.532540 0.004201 LBFGSLineSearch: 18 01:45:23 455.532537 0.000932 LBFGSLineSearch: 19 01:45:23 455.532537 0.000049 LBFGSLineSearch: 20 01:45:24 455.532537 0.000000 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:31 506.839185 3.664761 LBFGSLineSearch: 1 01:45:33 506.024432 0.368015 LBFGSLineSearch: 2 01:45:33 506.019316 0.404191 LBFGSLineSearch: 3 01:45:34 506.016935 0.197658 LBFGSLineSearch: 4 01:45:35 506.016134 0.082382 LBFGSLineSearch: 5 01:45:36 506.015855 0.072308 LBFGSLineSearch: 6 01:45:36 506.014917 0.079381 LBFGSLineSearch: 7 01:45:37 506.014472 0.059289 LBFGSLineSearch: 8 01:45:37 506.014231 0.114262 LBFGSLineSearch: 9 01:45:37 506.013654 0.060736 LBFGSLineSearch: 10 01:45:38 506.013032 0.055889 LBFGSLineSearch: 11 01:45:38 506.012634 0.059107 LBFGSLineSearch: 12 01:45:38 506.012317 0.070721 LBFGSLineSearch: 13 01:45:39 506.011343 0.068438 LBFGSLineSearch: 14 01:45:41 506.009255 0.161574 LBFGSLineSearch: 15 01:45:42 505.425994 2.813363 LBFGSLineSearch: 16 01:45:43 505.425704 2.832684 LBFGSLineSearch: 17 01:45:43 505.245127 2.060695 LBFGSLineSearch: 18 01:45:44 505.048126 1.111898 LBFGSLineSearch: 19 01:45:44 504.969955 0.858788 LBFGSLineSearch: 20 01:45:44 504.883756 0.417047 LBFGSLineSearch: 21 01:45:45 504.844786 0.268816 LBFGSLineSearch: 22 01:45:45 504.833474 0.113821 LBFGSLineSearch: 23 01:45:46 504.832149 0.084856 LBFGSLineSearch: 24 01:45:46 504.830123 0.138964 LBFGSLineSearch: 25 01:45:47 504.828528 0.157871 LBFGSLineSearch: 26 01:45:48 504.818327 0.376340 LBFGSLineSearch: 27 01:45:48 504.800992 0.248501 LBFGSLineSearch: 28 01:45:49 504.789426 0.247179 LBFGSLineSearch: 29 01:45:49 504.786015 0.109924 LBFGSLineSearch: 30 01:45:49 504.785119 0.042646 LBFGSLineSearch: 31 01:45:50 504.784997 0.014526 LBFGSLineSearch: 32 01:45:50 504.784978 0.005219 LBFGSLineSearch: 33 01:45:51 504.784976 0.000736 LBFGSLineSearch: 34 01:45:51 504.784976 0.000156 LBFGSLineSearch: 35 01:45:51 504.784976 0.000071 LBFGSLineSearch: 36 01:45:52 504.784976 0.000003 Minimization converged after 36 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:59 560.317827 3.966632 LBFGSLineSearch: 1 01:46:00 559.426898 0.287663 LBFGSLineSearch: 2 01:46:00 559.424237 0.152780 LBFGSLineSearch: 3 01:46:01 559.422741 0.135294 LBFGSLineSearch: 4 01:46:02 559.422349 0.098697 LBFGSLineSearch: 5 01:46:02 559.421845 0.089606 LBFGSLineSearch: 6 01:46:03 559.420649 0.112462 LBFGSLineSearch: 7 01:46:03 559.419899 0.098480 LBFGSLineSearch: 8 01:46:04 559.419048 0.108585 LBFGSLineSearch: 9 01:46:06 559.417839 0.106574 LBFGSLineSearch: 10 01:46:06 559.417309 0.066694 LBFGSLineSearch: 11 01:46:08 559.417009 0.061202 LBFGSLineSearch: 12 01:46:09 559.416054 0.047014 LBFGSLineSearch: 13 01:46:10 559.415290 0.073850 LBFGSLineSearch: 14 01:46:11 559.414305 0.080554 LBFGSLineSearch: 15 01:46:13 559.413090 0.065765 LBFGSLineSearch: 16 01:46:16 559.411715 0.030734 LBFGSLineSearch: 17 01:46:17 559.411557 0.012655 LBFGSLineSearch: 18 01:46:18 559.411542 0.014349 LBFGSLineSearch: 19 01:46:18 559.411524 0.014327 LBFGSLineSearch: 20 01:46:19 559.411465 0.002328 LBFGSLineSearch: 21 01:46:19 559.411463 0.000394 LBFGSLineSearch: 22 01:46:20 559.411463 0.000049 LBFGSLineSearch: 23 01:46:21 559.411463 0.000001 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:28 619.747309 4.309704 LBFGSLineSearch: 1 01:46:29 618.757334 0.331209 LBFGSLineSearch: 2 01:46:30 618.754541 0.170974 LBFGSLineSearch: 3 01:46:30 618.752782 0.206428 LBFGSLineSearch: 4 01:46:31 618.751982 0.133245 LBFGSLineSearch: 5 01:46:31 618.750832 0.118066 LBFGSLineSearch: 6 01:46:32 618.748950 0.131505 LBFGSLineSearch: 7 01:46:33 618.747627 0.147033 LBFGSLineSearch: 8 01:46:34 618.746288 0.154500 LBFGSLineSearch: 9 01:46:35 618.743902 0.186048 LBFGSLineSearch: 10 01:46:35 618.741851 0.127247 LBFGSLineSearch: 11 01:46:36 618.739179 0.205099 LBFGSLineSearch: 12 01:46:37 618.729622 0.153403 LBFGSLineSearch: 13 01:46:38 618.710655 0.625911 LBFGSLineSearch: 14 01:46:39 618.706113 0.933937 LBFGSLineSearch: 15 01:46:39 618.681367 1.342422 LBFGSLineSearch: 16 01:46:40 618.629302 1.610232 LBFGSLineSearch: 17 01:46:40 618.512053 1.550605 LBFGSLineSearch: 18 01:46:40 618.387628 1.008504 LBFGSLineSearch: 19 01:46:41 618.167918 1.223264 LBFGSLineSearch: 20 01:46:42 618.091862 1.412110 LBFGSLineSearch: 21 01:46:42 618.026314 0.412193 LBFGSLineSearch: 22 01:46:43 618.014464 0.210896 LBFGSLineSearch: 23 01:46:43 618.009103 0.163890 LBFGSLineSearch: 24 01:46:44 618.006675 0.143400 LBFGSLineSearch: 25 01:46:44 618.004512 0.132393 LBFGSLineSearch: 26 01:46:45 618.001140 0.183900 LBFGSLineSearch: 27 01:46:46 617.992900 0.242298 LBFGSLineSearch: 28 01:46:47 617.991364 0.061093 LBFGSLineSearch: 29 01:46:47 617.991190 0.010452 LBFGSLineSearch: 30 01:46:48 617.991185 0.002595 LBFGSLineSearch: 31 01:46:48 617.991185 0.000160 LBFGSLineSearch: 32 01:46:49 617.991185 0.000015 LBFGSLineSearch: 33 01:46:50 617.991185 0.000001 Minimization converged after 33 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:56 683.159978 4.654914 LBFGSLineSearch: 1 01:46:56 682.066199 0.340153 LBFGSLineSearch: 2 01:46:57 682.063316 0.331556 LBFGSLineSearch: 3 01:46:57 682.059984 0.136752 LBFGSLineSearch: 4 01:46:58 682.058546 0.161115 LBFGSLineSearch: 5 01:46:59 682.057555 0.131769 LBFGSLineSearch: 6 01:47:00 682.056721 0.090335 LBFGSLineSearch: 7 01:47:00 682.056144 0.087893 LBFGSLineSearch: 8 01:47:01 682.055602 0.079783 LBFGSLineSearch: 9 01:47:01 682.054881 0.074471 LBFGSLineSearch: 10 01:47:02 682.053886 0.060274 LBFGSLineSearch: 11 01:47:02 682.053377 0.055298 LBFGSLineSearch: 12 01:47:03 682.053083 0.066475 LBFGSLineSearch: 13 01:47:04 682.052616 0.053126 LBFGSLineSearch: 14 01:47:04 682.052029 0.012820 LBFGSLineSearch: 15 01:47:04 682.052017 0.002556 LBFGSLineSearch: 16 01:47:05 682.052017 0.002320 LBFGSLineSearch: 17 01:47:06 682.052016 0.003141 LBFGSLineSearch: 18 01:47:06 682.052014 0.000528 LBFGSLineSearch: 19 01:47:07 682.052013 0.000009 Minimization converged after 19 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:15 752.766242 5.051017 LBFGSLineSearch: 1 01:47:15 751.554411 0.382886 LBFGSLineSearch: 2 01:47:16 751.551054 0.376421 LBFGSLineSearch: 3 01:47:16 751.547296 0.140270 LBFGSLineSearch: 4 01:47:16 751.545937 0.165102 LBFGSLineSearch: 5 01:47:17 751.544973 0.153769 LBFGSLineSearch: 6 01:47:17 751.544137 0.093488 LBFGSLineSearch: 7 01:47:17 751.543495 0.095770 LBFGSLineSearch: 8 01:47:18 751.542852 0.118440 LBFGSLineSearch: 9 01:47:19 751.541842 0.102234 LBFGSLineSearch: 10 01:47:19 751.540657 0.068577 LBFGSLineSearch: 11 01:47:19 751.540207 0.060524 LBFGSLineSearch: 12 01:47:20 751.539962 0.064233 LBFGSLineSearch: 13 01:47:20 751.539606 0.055539 LBFGSLineSearch: 14 01:47:21 751.538899 0.025714 LBFGSLineSearch: 15 01:47:21 751.538854 0.007625 LBFGSLineSearch: 16 01:47:22 751.538848 0.005566 LBFGSLineSearch: 17 01:47:23 751.538843 0.005549 LBFGSLineSearch: 18 01:47:23 751.538834 0.005200 LBFGSLineSearch: 19 01:47:23 751.538832 0.001141 LBFGSLineSearch: 20 01:47:24 751.538832 0.000002 Minimization converged after 20 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:32 828.215661 5.476917 LBFGSLineSearch: 1 01:47:33 826.874647 0.432406 LBFGSLineSearch: 2 01:47:34 826.870757 0.424431 LBFGSLineSearch: 3 01:47:34 826.866609 0.141948 LBFGSLineSearch: 4 01:47:34 826.865277 0.165665 LBFGSLineSearch: 5 01:47:35 826.864413 0.190395 LBFGSLineSearch: 6 01:47:35 826.863494 0.095604 LBFGSLineSearch: 7 01:47:36 826.862732 0.098717 LBFGSLineSearch: 8 01:47:36 826.861852 0.154422 LBFGSLineSearch: 9 01:47:36 826.860686 0.174102 LBFGSLineSearch: 10 01:47:37 826.859479 0.083912 LBFGSLineSearch: 11 01:47:38 826.859074 0.063639 LBFGSLineSearch: 12 01:47:39 826.858768 0.061202 LBFGSLineSearch: 13 01:47:40 826.858034 0.044195 LBFGSLineSearch: 14 01:47:40 826.857835 0.016634 LBFGSLineSearch: 15 01:47:40 826.857813 0.008862 LBFGSLineSearch: 16 01:47:41 826.857807 0.009010 LBFGSLineSearch: 17 01:47:41 826.857784 0.003981 LBFGSLineSearch: 18 01:47:42 826.857780 0.000147 LBFGSLineSearch: 19 01:47:43 826.857780 0.000021 LBFGSLineSearch: 20 01:47:43 826.857780 0.000000 Minimization converged after 20 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:50 909.941367 5.934542 LBFGSLineSearch: 1 01:47:51 908.459126 0.488990 LBFGSLineSearch: 2 01:47:51 908.454634 0.475792 LBFGSLineSearch: 3 01:47:52 908.450124 0.143298 LBFGSLineSearch: 4 01:47:52 908.448771 0.163199 LBFGSLineSearch: 5 01:47:53 908.447817 0.137909 LBFGSLineSearch: 6 01:47:54 908.447026 0.107104 LBFGSLineSearch: 7 01:47:55 908.446006 0.099195 LBFGSLineSearch: 8 01:47:55 908.444595 0.157214 LBFGSLineSearch: 9 01:47:56 908.443684 0.296606 LBFGSLineSearch: 10 01:47:56 908.442712 0.105160 LBFGSLineSearch: 11 01:47:57 908.442307 0.060314 LBFGSLineSearch: 12 01:47:58 908.441985 0.056578 LBFGSLineSearch: 13 01:47:59 908.441394 0.048052 LBFGSLineSearch: 14 01:48:00 908.441259 0.014078 LBFGSLineSearch: 15 01:48:00 908.441249 0.010169 LBFGSLineSearch: 16 01:48:01 908.441240 0.013543 LBFGSLineSearch: 17 01:48:01 908.441210 0.001861 LBFGSLineSearch: 18 01:48:02 908.441209 0.000042 LBFGSLineSearch: 19 01:48:03 908.441209 0.000000 Minimization converged after 19 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:09 998.404261 6.425932 LBFGSLineSearch: 1 01:48:10 996.767764 0.552945 LBFGSLineSearch: 2 01:48:10 996.762593 0.530351 LBFGSLineSearch: 3 01:48:11 996.757737 0.145292 LBFGSLineSearch: 4 01:48:11 996.756348 0.160641 LBFGSLineSearch: 5 01:48:12 996.755481 0.129611 LBFGSLineSearch: 6 01:48:12 996.754625 0.118864 LBFGSLineSearch: 7 01:48:13 996.753446 0.130698 LBFGSLineSearch: 8 01:48:14 996.752265 0.203918 LBFGSLineSearch: 9 01:48:14 996.750737 0.143255 LBFGSLineSearch: 10 01:48:15 996.750075 0.067177 LBFGSLineSearch: 11 01:48:16 996.749866 0.059163 LBFGSLineSearch: 12 01:48:16 996.749583 0.066096 LBFGSLineSearch: 13 01:48:17 996.749126 0.052788 LBFGSLineSearch: 14 01:48:17 996.749033 0.012043 LBFGSLineSearch: 15 01:48:18 996.749024 0.009767 LBFGSLineSearch: 16 01:48:18 996.748996 0.005030 LBFGSLineSearch: 17 01:48:19 996.748989 0.000588 LBFGSLineSearch: 18 01:48:19 996.748989 0.000029 LBFGSLineSearch: 19 01:48:19 996.748989 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:26 1094.093950 6.953212 LBFGSLineSearch: 1 01:48:27 1092.614751 2.999034 LBFGSLineSearch: 2 01:48:28 1092.300344 1.724552 LBFGSLineSearch: 3 01:48:29 1092.279839 0.291305 LBFGSLineSearch: 4 01:48:30 1092.276966 0.201160 LBFGSLineSearch: 5 01:48:31 1092.276230 0.151880 LBFGSLineSearch: 6 01:48:31 1092.275311 0.168300 LBFGSLineSearch: 7 01:48:33 1092.274345 0.153974 LBFGSLineSearch: 8 01:48:34 1092.273132 0.178298 LBFGSLineSearch: 9 01:48:35 1092.271261 0.110857 LBFGSLineSearch: 10 01:48:36 1092.270434 0.060942 LBFGSLineSearch: 11 01:48:37 1092.270248 0.061042 LBFGSLineSearch: 12 01:48:37 1092.270103 0.052583 LBFGSLineSearch: 13 01:48:38 1092.269713 0.036256 LBFGSLineSearch: 14 01:48:39 1092.269579 0.019930 LBFGSLineSearch: 15 01:48:39 1092.269565 0.011496 LBFGSLineSearch: 16 01:48:40 1092.269554 0.010895 LBFGSLineSearch: 17 01:48:41 1092.269534 0.001083 LBFGSLineSearch: 18 01:48:41 1092.269533 0.000055 LBFGSLineSearch: 19 01:48:43 1092.269533 0.000002 Minimization converged after 19 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:50 1197.529599 7.518577 LBFGSLineSearch: 1 01:48:51 1195.842861 2.981661 LBFGSLineSearch: 2 01:48:52 1195.560318 2.154003 LBFGSLineSearch: 3 01:48:52 1195.532822 0.388063 LBFGSLineSearch: 4 01:48:53 1195.528571 0.309241 LBFGSLineSearch: 5 01:48:54 1195.527372 0.173243 LBFGSLineSearch: 6 01:48:54 1195.526433 0.181575 LBFGSLineSearch: 7 01:48:54 1195.525659 0.161880 LBFGSLineSearch: 8 01:48:55 1195.524725 0.185023 LBFGSLineSearch: 9 01:48:55 1195.523547 0.154693 LBFGSLineSearch: 10 01:48:55 1195.522120 0.182519 LBFGSLineSearch: 11 01:48:56 1195.521293 0.090293 LBFGSLineSearch: 12 01:48:56 1195.521123 0.045219 LBFGSLineSearch: 13 01:48:56 1195.521000 0.046563 LBFGSLineSearch: 14 01:48:56 1195.520803 0.043664 LBFGSLineSearch: 15 01:48:57 1195.520701 0.011629 LBFGSLineSearch: 16 01:48:57 1195.520688 0.009252 LBFGSLineSearch: 17 01:48:57 1195.520681 0.009274 LBFGSLineSearch: 18 01:48:58 1195.520667 0.003410 LBFGSLineSearch: 19 01:48:58 1195.520666 0.000565 LBFGSLineSearch: 20 01:48:59 1195.520666 0.000202 LBFGSLineSearch: 21 01:48:59 1195.520666 0.000002 Minimization converged after 21 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:06 1309.260620 8.124284 LBFGSLineSearch: 1 01:49:06 1307.343871 2.923208 LBFGSLineSearch: 2 01:49:07 1307.103337 2.692454 LBFGSLineSearch: 3 01:49:07 1307.066918 0.611155 LBFGSLineSearch: 4 01:49:08 1307.058213 0.280384 LBFGSLineSearch: 5 01:49:08 1307.056773 0.164856 LBFGSLineSearch: 6 01:49:09 1307.055906 0.170046 LBFGSLineSearch: 7 01:49:09 1307.055420 0.201352 LBFGSLineSearch: 8 01:49:09 1307.052999 0.226234 LBFGSLineSearch: 9 01:49:10 1307.051871 0.197666 LBFGSLineSearch: 10 01:49:10 1307.051245 0.131492 LBFGSLineSearch: 11 01:49:11 1307.050845 0.047178 LBFGSLineSearch: 12 01:49:12 1307.050744 0.042823 LBFGSLineSearch: 13 01:49:12 1307.050676 0.037061 LBFGSLineSearch: 14 01:49:13 1307.050489 0.046062 LBFGSLineSearch: 15 01:49:13 1307.050433 0.016333 LBFGSLineSearch: 16 01:49:14 1307.050422 0.008798 LBFGSLineSearch: 17 01:49:15 1307.050415 0.010324 LBFGSLineSearch: 18 01:49:15 1307.050407 0.002657 LBFGSLineSearch: 19 01:49:16 1307.050407 0.000258 LBFGSLineSearch: 20 01:49:16 1307.050407 0.000013 LBFGSLineSearch: 21 01:49:17 1307.050407 0.000000 Minimization converged after 21 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:24 1429.867459 8.772647 LBFGSLineSearch: 1 01:49:26 1427.697327 2.815819 LBFGSLineSearch: 2 01:49:27 1427.510440 3.367208 LBFGSLineSearch: 3 01:49:27 1427.463195 0.974418 LBFGSLineSearch: 4 01:49:28 1427.447405 0.435651 LBFGSLineSearch: 5 01:49:28 1427.444595 0.209132 LBFGSLineSearch: 6 01:49:29 1427.443345 0.161714 LBFGSLineSearch: 7 01:49:29 1427.442744 0.186411 LBFGSLineSearch: 8 01:49:30 1427.439988 0.263844 LBFGSLineSearch: 9 01:49:31 1427.438380 0.127007 LBFGSLineSearch: 10 01:49:31 1427.438152 0.068938 LBFGSLineSearch: 11 01:49:32 1427.438036 0.039316 LBFGSLineSearch: 12 01:49:32 1427.437987 0.033859 LBFGSLineSearch: 13 01:49:33 1427.437843 0.030454 LBFGSLineSearch: 14 01:49:33 1427.437771 0.013074 LBFGSLineSearch: 15 01:49:34 1427.437750 0.008743 LBFGSLineSearch: 16 01:49:34 1427.437743 0.005887 LBFGSLineSearch: 17 01:49:35 1427.437739 0.001862 LBFGSLineSearch: 18 01:49:35 1427.437738 0.000200 LBFGSLineSearch: 19 01:49:36 1427.437738 0.000008 Minimization converged after 19 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:43 1559.962307 9.466049 LBFGSLineSearch: 1 01:49:43 1557.514914 2.650729 LBFGSLineSearch: 2 01:49:44 1557.356163 2.566472 LBFGSLineSearch: 3 01:49:45 1557.307521 0.547082 LBFGSLineSearch: 4 01:49:45 1557.301056 0.349971 LBFGSLineSearch: 5 01:49:46 1557.299838 0.187559 LBFGSLineSearch: 6 01:49:46 1557.299311 0.171415 LBFGSLineSearch: 7 01:49:47 1557.297205 0.137747 LBFGSLineSearch: 8 01:49:47 1557.294795 0.328429 LBFGSLineSearch: 9 01:49:48 1557.293883 0.110457 LBFGSLineSearch: 10 01:49:48 1557.293649 0.041888 LBFGSLineSearch: 11 01:49:49 1557.293580 0.034530 LBFGSLineSearch: 12 01:49:50 1557.293540 0.034665 LBFGSLineSearch: 13 01:49:50 1557.293385 0.013203 LBFGSLineSearch: 14 01:49:51 1557.293374 0.007925 LBFGSLineSearch: 15 01:49:51 1557.293370 0.006695 LBFGSLineSearch: 16 01:49:52 1557.293365 0.002260 LBFGSLineSearch: 17 01:49:52 1557.293365 0.000278 LBFGSLineSearch: 18 01:49:53 1557.293365 0.000002 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:01 1700.189962 10.206900 LBFGSLineSearch: 1 01:50:02 1697.441453 2.418173 LBFGSLineSearch: 2 01:50:02 1697.329489 2.494094 LBFGSLineSearch: 3 01:50:03 1697.278743 0.674205 LBFGSLineSearch: 4 01:50:03 1697.269514 0.468851 LBFGSLineSearch: 5 01:50:03 1697.267617 0.206929 LBFGSLineSearch: 6 01:50:04 1697.267068 0.194641 LBFGSLineSearch: 7 01:50:04 1697.265132 0.167405 LBFGSLineSearch: 8 01:50:04 1697.263240 0.462385 LBFGSLineSearch: 9 01:50:04 1697.261245 0.145625 LBFGSLineSearch: 10 01:50:05 1697.260834 0.057598 LBFGSLineSearch: 11 01:50:05 1697.260743 0.038809 LBFGSLineSearch: 12 01:50:06 1697.260712 0.028994 LBFGSLineSearch: 13 01:50:06 1697.260628 0.017808 LBFGSLineSearch: 14 01:50:07 1697.260599 0.005684 LBFGSLineSearch: 15 01:50:07 1697.260597 0.006237 LBFGSLineSearch: 16 01:50:10 1697.260594 0.004831 LBFGSLineSearch: 17 01:50:11 1697.260593 0.000963 LBFGSLineSearch: 18 01:50:12 1697.260593 0.000010 LBFGSLineSearch: 19 01:50:14 1697.260593 0.000000 Minimization converged after 19 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:21 1851.228695 10.997722 LBFGSLineSearch: 1 01:50:21 1848.155941 2.107417 LBFGSLineSearch: 2 01:50:21 1848.083692 2.187560 LBFGSLineSearch: 3 01:50:22 1848.038349 0.737868 LBFGSLineSearch: 4 01:50:22 1848.026786 0.600374 LBFGSLineSearch: 5 01:50:22 1848.023910 0.230017 LBFGSLineSearch: 6 01:50:22 1848.023241 0.221393 LBFGSLineSearch: 7 01:50:23 1848.021364 0.196043 LBFGSLineSearch: 8 01:50:23 1848.019352 0.306281 LBFGSLineSearch: 9 01:50:23 1848.016576 0.138922 LBFGSLineSearch: 10 01:50:23 1848.016123 0.043480 LBFGSLineSearch: 11 01:50:24 1848.016064 0.034449 LBFGSLineSearch: 12 01:50:24 1848.016044 0.021583 LBFGSLineSearch: 13 01:50:25 1848.016008 0.018905 LBFGSLineSearch: 14 01:50:25 1848.015986 0.009100 LBFGSLineSearch: 15 01:50:25 1848.015981 0.004501 LBFGSLineSearch: 16 01:50:26 1848.015980 0.003637 LBFGSLineSearch: 17 01:50:26 1848.015978 0.000122 LBFGSLineSearch: 18 01:50:26 1848.015978 0.000000 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:33 2013.790543 11.841040 LBFGSLineSearch: 1 01:50:34 2010.372042 1.707177 LBFGSLineSearch: 2 01:50:35 2010.327764 1.676129 LBFGSLineSearch: 3 01:50:36 2010.294479 0.681086 LBFGSLineSearch: 4 01:50:36 2010.283030 0.701198 LBFGSLineSearch: 5 01:50:37 2010.279025 0.258595 LBFGSLineSearch: 6 01:50:38 2010.278119 0.251664 LBFGSLineSearch: 7 01:50:39 2010.276286 0.232972 LBFGSLineSearch: 8 01:50:39 2010.274397 0.364281 LBFGSLineSearch: 9 01:50:39 2010.270723 0.200420 LBFGSLineSearch: 10 01:50:40 2010.269856 0.071602 LBFGSLineSearch: 11 01:50:40 2010.269729 0.014644 LBFGSLineSearch: 12 01:50:40 2010.269726 0.011898 LBFGSLineSearch: 13 01:50:40 2010.269719 0.011055 LBFGSLineSearch: 14 01:50:41 2010.269707 0.015449 LBFGSLineSearch: 15 01:50:41 2010.269702 0.005600 LBFGSLineSearch: 16 01:50:41 2010.269701 0.002237 LBFGSLineSearch: 17 01:50:41 2010.269701 0.001705 LBFGSLineSearch: 18 01:50:42 2010.269701 0.000537 LBFGSLineSearch: 19 01:50:42 2010.269701 0.000243 LBFGSLineSearch: 20 01:50:42 2010.269701 0.000000 Minimization converged after 20 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:49 2188.621448 12.739411 LBFGSLineSearch: 1 01:50:49 2184.838465 1.497000 LBFGSLineSearch: 2 01:50:50 2184.809692 1.441164 LBFGSLineSearch: 3 01:50:50 2184.789036 0.620869 LBFGSLineSearch: 4 01:50:51 2184.781536 0.665790 LBFGSLineSearch: 5 01:50:51 2184.777046 0.293294 LBFGSLineSearch: 6 01:50:52 2184.775733 0.288044 LBFGSLineSearch: 7 01:50:53 2184.773983 0.320179 LBFGSLineSearch: 8 01:50:54 2184.771814 0.441928 LBFGSLineSearch: 9 01:50:54 2184.767503 0.249242 LBFGSLineSearch: 10 01:50:54 2184.766109 0.130237 LBFGSLineSearch: 11 01:50:55 2184.765740 0.090771 LBFGSLineSearch: 12 01:50:55 2184.765650 0.028417 LBFGSLineSearch: 13 01:50:56 2184.765633 0.008767 LBFGSLineSearch: 14 01:50:56 2184.765631 0.002894 LBFGSLineSearch: 15 01:50:57 2184.765630 0.003023 LBFGSLineSearch: 16 01:50:57 2184.765630 0.001852 LBFGSLineSearch: 17 01:50:58 2184.765630 0.000409 LBFGSLineSearch: 18 01:50:58 2184.765630 0.000182 LBFGSLineSearch: 19 01:50:59 2184.765630 0.000013 LBFGSLineSearch: 20 01:50:59 2184.765630 0.000000 Minimization converged after 20 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:06 2376.500814 13.695370 Failed to get energy or crystal structure at pressure 8191.999999999995 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:07 -72.755593 0.005690 LBFGSLineSearch: 1 01:51:08 -72.755594 0.002231 LBFGSLineSearch: 2 01:51:10 -72.755594 0.000801 LBFGSLineSearch: 3 01:51:11 -72.755594 0.000570 LBFGSLineSearch: 4 01:51:11 -72.755594 0.000291 LBFGSLineSearch: 5 01:51:12 -72.755594 0.000373 LBFGSLineSearch: 6 01:51:12 -72.755594 0.000196 LBFGSLineSearch: 7 01:51:13 -72.755594 0.000091 LBFGSLineSearch: 8 01:51:13 -72.755594 0.000047 LBFGSLineSearch: 9 01:51:14 -72.755594 0.000041 LBFGSLineSearch: 10 01:51:14 -72.755594 0.000016 LBFGSLineSearch: 11 01:51:16 -72.755594 0.000023 LBFGSLineSearch: 12 01:51:17 -72.755594 0.000017 LBFGSLineSearch: 13 01:51:18 -72.755594 0.000010 LBFGSLineSearch: 14 01:51:19 -72.755594 0.000008 Minimization converged after 14 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:26 -73.180958 0.030384 LBFGSLineSearch: 1 01:51:26 -73.181027 0.039457 LBFGSLineSearch: 2 01:51:26 -73.181120 0.040110 LBFGSLineSearch: 3 01:51:27 -73.181158 0.021984 LBFGSLineSearch: 4 01:51:27 -73.181173 0.007926 LBFGSLineSearch: 5 01:51:27 -73.181178 0.005632 LBFGSLineSearch: 6 01:51:28 -73.181195 0.014854 LBFGSLineSearch: 7 01:51:28 -73.181208 0.006324 LBFGSLineSearch: 8 01:51:29 -73.181218 0.005228 LBFGSLineSearch: 9 01:51:29 -73.181222 0.005314 LBFGSLineSearch: 10 01:51:29 -73.181228 0.002850 LBFGSLineSearch: 11 01:51:30 -73.181231 0.002170 LBFGSLineSearch: 12 01:51:32 -73.181233 0.002362 LBFGSLineSearch: 13 01:51:32 -73.181235 0.001625 LBFGSLineSearch: 14 01:51:33 -73.181236 0.000803 LBFGSLineSearch: 15 01:51:33 -73.181236 0.000788 LBFGSLineSearch: 16 01:51:33 -73.181236 0.000651 LBFGSLineSearch: 17 01:51:34 -73.181236 0.000421 LBFGSLineSearch: 18 01:51:34 -73.181236 0.000338 LBFGSLineSearch: 19 01:51:35 -73.181236 0.000320 LBFGSLineSearch: 20 01:51:37 -73.181236 0.000178 LBFGSLineSearch: 21 01:51:40 -73.181236 0.000041 LBFGSLineSearch: 22 01:51:42 -73.181236 0.000030 LBFGSLineSearch: 23 01:51:44 -73.181236 0.000000 Minimization converged after 23 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:50 -73.607156 0.030423 LBFGSLineSearch: 1 01:51:50 -73.607224 0.039424 LBFGSLineSearch: 2 01:51:51 -73.607315 0.041623 LBFGSLineSearch: 3 01:51:51 -73.607354 0.022166 LBFGSLineSearch: 4 01:51:51 -73.607369 0.008501 LBFGSLineSearch: 5 01:51:52 -73.607374 0.005757 LBFGSLineSearch: 6 01:51:53 -73.607393 0.015210 LBFGSLineSearch: 7 01:51:53 -73.607406 0.005844 LBFGSLineSearch: 8 01:51:54 -73.607416 0.006061 LBFGSLineSearch: 9 01:51:54 -73.607420 0.005831 LBFGSLineSearch: 10 01:51:54 -73.607425 0.003324 LBFGSLineSearch: 11 01:51:55 -73.607429 0.002108 LBFGSLineSearch: 12 01:51:55 -73.607431 0.002122 LBFGSLineSearch: 13 01:51:56 -73.607432 0.001535 LBFGSLineSearch: 14 01:51:56 -73.607432 0.001379 LBFGSLineSearch: 15 01:51:56 -73.607433 0.001595 LBFGSLineSearch: 16 01:51:57 -73.607433 0.000791 LBFGSLineSearch: 17 01:51:57 -73.607433 0.000815 LBFGSLineSearch: 18 01:51:58 -73.607434 0.000500 LBFGSLineSearch: 19 01:51:58 -73.607434 0.000297 LBFGSLineSearch: 20 01:51:59 -73.607434 0.000273 LBFGSLineSearch: 21 01:51:59 -73.607434 0.000198 LBFGSLineSearch: 22 01:52:00 -73.607434 0.000188 LBFGSLineSearch: 23 01:52:00 -73.607434 0.000032 LBFGSLineSearch: 24 01:52:01 -73.607434 0.000043 LBFGSLineSearch: 25 01:52:01 -73.607434 0.000000 Minimization converged after 25 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:09 -74.033908 0.030462 LBFGSLineSearch: 1 01:52:09 -74.033974 0.039387 LBFGSLineSearch: 2 01:52:10 -74.034064 0.043114 LBFGSLineSearch: 3 01:52:10 -74.034104 0.022371 LBFGSLineSearch: 4 01:52:10 -74.034119 0.008991 LBFGSLineSearch: 5 01:52:10 -74.034124 0.005831 LBFGSLineSearch: 6 01:52:11 -74.034144 0.014932 LBFGSLineSearch: 7 01:52:11 -74.034157 0.005877 LBFGSLineSearch: 8 01:52:12 -74.034166 0.006791 LBFGSLineSearch: 9 01:52:12 -74.034173 0.005649 LBFGSLineSearch: 10 01:52:13 -74.034176 0.005238 LBFGSLineSearch: 11 01:52:13 -74.034180 0.002079 LBFGSLineSearch: 12 01:52:14 -74.034183 0.003019 LBFGSLineSearch: 13 01:52:14 -74.034184 0.001511 LBFGSLineSearch: 14 01:52:14 -74.034184 0.001561 LBFGSLineSearch: 15 01:52:15 -74.034185 0.000791 LBFGSLineSearch: 16 01:52:15 -74.034185 0.000483 LBFGSLineSearch: 17 01:52:16 -74.034185 0.000322 LBFGSLineSearch: 18 01:52:17 -74.034185 0.000190 LBFGSLineSearch: 19 01:52:17 -74.034185 0.000164 LBFGSLineSearch: 20 01:52:17 -74.034185 0.000058 LBFGSLineSearch: 21 01:52:18 -74.034185 0.000031 LBFGSLineSearch: 22 01:52:18 -74.034185 0.000022 LBFGSLineSearch: 23 01:52:19 -74.034185 0.000000 Minimization converged after 23 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:26 -74.461213 0.030502 LBFGSLineSearch: 1 01:52:27 -74.461278 0.039367 LBFGSLineSearch: 2 01:52:28 -74.461367 0.044593 LBFGSLineSearch: 3 01:52:28 -74.461407 0.022635 LBFGSLineSearch: 4 01:52:29 -74.461423 0.009409 LBFGSLineSearch: 5 01:52:30 -74.461428 0.005883 LBFGSLineSearch: 6 01:52:30 -74.461450 0.013797 LBFGSLineSearch: 7 01:52:31 -74.461462 0.007216 LBFGSLineSearch: 8 01:52:31 -74.461471 0.007050 LBFGSLineSearch: 9 01:52:32 -74.461477 0.004322 LBFGSLineSearch: 10 01:52:32 -74.461481 0.005263 LBFGSLineSearch: 11 01:52:32 -74.461485 0.002095 LBFGSLineSearch: 12 01:52:33 -74.461488 0.002525 LBFGSLineSearch: 13 01:52:33 -74.461488 0.001348 LBFGSLineSearch: 14 01:52:34 -74.461489 0.001334 LBFGSLineSearch: 15 01:52:34 -74.461489 0.000805 LBFGSLineSearch: 16 01:52:34 -74.461489 0.000323 LBFGSLineSearch: 17 01:52:35 -74.461490 0.000401 LBFGSLineSearch: 18 01:52:35 -74.461490 0.000160 LBFGSLineSearch: 19 01:52:36 -74.461490 0.000041 LBFGSLineSearch: 20 01:52:36 -74.461490 0.000000 Minimization converged after 20 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:44 -74.889071 0.030542 LBFGSLineSearch: 1 01:52:45 -74.889134 0.039361 LBFGSLineSearch: 2 01:52:45 -74.889222 0.046066 LBFGSLineSearch: 3 01:52:46 -74.889263 0.022959 LBFGSLineSearch: 4 01:52:46 -74.889280 0.009764 LBFGSLineSearch: 5 01:52:47 -74.889285 0.006373 LBFGSLineSearch: 6 01:52:48 -74.889308 0.011480 LBFGSLineSearch: 7 01:52:49 -74.889320 0.008219 LBFGSLineSearch: 8 01:52:49 -74.889328 0.007176 LBFGSLineSearch: 9 01:52:50 -74.889335 0.004337 LBFGSLineSearch: 10 01:52:50 -74.889338 0.005067 LBFGSLineSearch: 11 01:52:51 -74.889343 0.002175 LBFGSLineSearch: 12 01:52:52 -74.889345 0.002924 LBFGSLineSearch: 13 01:52:53 -74.889346 0.001452 LBFGSLineSearch: 14 01:52:54 -74.889347 0.001015 LBFGSLineSearch: 15 01:52:55 -74.889347 0.001193 LBFGSLineSearch: 16 01:52:55 -74.889347 0.000764 LBFGSLineSearch: 17 01:52:56 -74.889348 0.000271 LBFGSLineSearch: 18 01:52:57 -74.889348 0.000283 LBFGSLineSearch: 19 01:52:58 -74.889348 0.000269 LBFGSLineSearch: 20 01:52:58 -74.889348 0.000042 LBFGSLineSearch: 21 01:52:58 -74.889348 0.000019 LBFGSLineSearch: 22 01:52:59 -74.889348 0.000024 LBFGSLineSearch: 23 01:52:59 -74.889348 0.000000 Minimization converged after 23 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:06 -75.317482 0.030581 LBFGSLineSearch: 1 01:53:06 -75.317545 0.039365 LBFGSLineSearch: 2 01:53:07 -75.317632 0.047537 LBFGSLineSearch: 3 01:53:07 -75.317674 0.023330 LBFGSLineSearch: 4 01:53:08 -75.317691 0.010066 LBFGSLineSearch: 5 01:53:08 -75.317696 0.007146 LBFGSLineSearch: 6 01:53:09 -75.317720 0.010975 LBFGSLineSearch: 7 01:53:10 -75.317732 0.007896 LBFGSLineSearch: 8 01:53:10 -75.317740 0.007502 LBFGSLineSearch: 9 01:53:11 -75.317747 0.005790 LBFGSLineSearch: 10 01:53:11 -75.317750 0.005507 LBFGSLineSearch: 11 01:53:12 -75.317755 0.002316 LBFGSLineSearch: 12 01:53:13 -75.317756 0.002894 LBFGSLineSearch: 13 01:53:13 -75.317759 0.001100 LBFGSLineSearch: 14 01:53:14 -75.317759 0.001031 LBFGSLineSearch: 15 01:53:14 -75.317759 0.000806 LBFGSLineSearch: 16 01:53:14 -75.317759 0.001026 LBFGSLineSearch: 17 01:53:14 -75.317760 0.000357 LBFGSLineSearch: 18 01:53:14 -75.317760 0.000234 LBFGSLineSearch: 19 01:53:15 -75.317760 0.000173 LBFGSLineSearch: 20 01:53:15 -75.317760 0.000146 LBFGSLineSearch: 21 01:53:15 -75.317760 0.000018 LBFGSLineSearch: 22 01:53:16 -75.317760 0.000016 LBFGSLineSearch: 23 01:53:16 -75.317760 0.000000 Minimization converged after 23 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:23 -75.746449 0.030621 LBFGSLineSearch: 1 01:53:24 -75.746510 0.039378 LBFGSLineSearch: 2 01:53:24 -75.746596 0.049009 LBFGSLineSearch: 3 01:53:25 -75.746639 0.023750 LBFGSLineSearch: 4 01:53:25 -75.746657 0.010321 LBFGSLineSearch: 5 01:53:26 -75.746662 0.007927 LBFGSLineSearch: 6 01:53:27 -75.746686 0.011360 LBFGSLineSearch: 7 01:53:28 -75.746699 0.007415 LBFGSLineSearch: 8 01:53:28 -75.746707 0.007647 LBFGSLineSearch: 9 01:53:29 -75.746714 0.005426 LBFGSLineSearch: 10 01:53:29 -75.746717 0.006495 LBFGSLineSearch: 11 01:53:30 -75.746722 0.002257 LBFGSLineSearch: 12 01:53:31 -75.746724 0.002185 LBFGSLineSearch: 13 01:53:31 -75.746726 0.001225 LBFGSLineSearch: 14 01:53:32 -75.746726 0.001162 LBFGSLineSearch: 15 01:53:32 -75.746727 0.000774 LBFGSLineSearch: 16 01:53:33 -75.746727 0.000853 LBFGSLineSearch: 17 01:53:33 -75.746727 0.000221 LBFGSLineSearch: 18 01:53:34 -75.746727 0.000274 LBFGSLineSearch: 19 01:53:34 -75.746727 0.000423 LBFGSLineSearch: 20 01:53:35 -75.746727 0.000018 LBFGSLineSearch: 21 01:53:35 -75.746727 0.000012 LBFGSLineSearch: 22 01:53:35 -75.746727 0.000000 Minimization converged after 22 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:42 -76.175972 0.030660 LBFGSLineSearch: 1 01:53:42 -76.176037 0.038796 LBFGSLineSearch: 2 01:53:43 -76.176113 0.054243 LBFGSLineSearch: 3 01:53:44 -76.176172 0.020333 LBFGSLineSearch: 4 01:53:44 -76.176181 0.013639 LBFGSLineSearch: 5 01:53:44 -76.176190 0.007551 LBFGSLineSearch: 6 01:53:45 -76.176210 0.023276 LBFGSLineSearch: 7 01:53:46 -76.176255 0.011616 LBFGSLineSearch: 8 01:53:46 -76.176283 0.008282 LBFGSLineSearch: 9 01:53:47 -76.176292 0.005513 LBFGSLineSearch: 10 01:53:48 -76.176296 0.003530 LBFGSLineSearch: 11 01:53:50 -76.176301 0.001897 LBFGSLineSearch: 12 01:53:50 -76.176301 0.001780 LBFGSLineSearch: 13 01:53:50 -76.176301 0.001172 LBFGSLineSearch: 14 01:53:51 -76.176302 0.001143 LBFGSLineSearch: 15 01:53:52 -76.176302 0.000563 LBFGSLineSearch: 16 01:53:52 -76.176302 0.000736 LBFGSLineSearch: 17 01:53:53 -76.176302 0.000240 LBFGSLineSearch: 18 01:53:54 -76.176302 0.000058 LBFGSLineSearch: 19 01:53:54 -76.176302 0.000057 LBFGSLineSearch: 20 01:53:55 -76.176302 0.000035 LBFGSLineSearch: 21 01:53:55 -76.176302 0.000029 LBFGSLineSearch: 22 01:53:56 -76.176302 0.000013 LBFGSLineSearch: 23 01:53:56 -76.176302 0.000000 Minimization converged after 23 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:03 -76.606266 0.030712 LBFGSLineSearch: 1 01:54:04 -76.606335 0.039088 LBFGSLineSearch: 2 01:54:04 -76.606412 0.056162 LBFGSLineSearch: 3 01:54:05 -76.606476 0.021283 LBFGSLineSearch: 4 01:54:06 -76.606486 0.015559 LBFGSLineSearch: 5 01:54:09 -76.606503 0.010721 LBFGSLineSearch: 6 01:54:11 -76.606568 0.018672 LBFGSLineSearch: 7 01:54:11 -76.606615 0.012260 LBFGSLineSearch: 8 01:54:12 -76.606638 0.009881 LBFGSLineSearch: 9 01:54:12 -76.606653 0.006403 LBFGSLineSearch: 10 01:54:12 -76.606660 0.004091 LBFGSLineSearch: 11 01:54:13 -76.606664 0.003521 LBFGSLineSearch: 12 01:54:13 -76.606667 0.003648 LBFGSLineSearch: 13 01:54:14 -76.606669 0.002752 LBFGSLineSearch: 14 01:54:14 -76.606670 0.001965 LBFGSLineSearch: 15 01:54:15 -76.606670 0.001378 LBFGSLineSearch: 16 01:54:15 -76.606670 0.001049 LBFGSLineSearch: 17 01:54:16 -76.606671 0.001108 LBFGSLineSearch: 18 01:54:17 -76.606671 0.000821 LBFGSLineSearch: 19 01:54:17 -76.606671 0.000732 LBFGSLineSearch: 20 01:54:18 -76.606671 0.000395 LBFGSLineSearch: 21 01:54:18 -76.606671 0.000320 LBFGSLineSearch: 22 01:54:19 -76.606671 0.000093 LBFGSLineSearch: 23 01:54:19 -76.606671 0.000056 LBFGSLineSearch: 24 01:54:20 -76.606671 0.000017 LBFGSLineSearch: 25 01:54:20 -76.606671 0.000014 LBFGSLineSearch: 26 01:54:21 -76.606671 0.000013 LBFGSLineSearch: 27 01:54:22 -76.606671 0.000011 LBFGSLineSearch: 28 01:54:22 -76.606671 0.000017 LBFGSLineSearch: 29 01:54:23 -76.606671 0.000000 Minimization converged after 29 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:29 -77.037446 0.030770 LBFGSLineSearch: 1 01:54:29 -77.037514 0.039393 LBFGSLineSearch: 2 01:54:30 -77.037590 0.057732 LBFGSLineSearch: 3 01:54:31 -77.037656 0.021701 LBFGSLineSearch: 4 01:54:31 -77.037667 0.016314 LBFGSLineSearch: 5 01:54:31 -77.037680 0.010295 LBFGSLineSearch: 6 01:54:32 -77.037715 0.032102 LBFGSLineSearch: 7 01:54:32 -77.037806 0.012808 LBFGSLineSearch: 8 01:54:33 -77.037831 0.009098 LBFGSLineSearch: 9 01:54:33 -77.037841 0.007498 LBFGSLineSearch: 10 01:54:34 -77.037845 0.003641 LBFGSLineSearch: 11 01:54:34 -77.037850 0.002275 LBFGSLineSearch: 12 01:54:35 -77.037850 0.001092 LBFGSLineSearch: 13 01:54:35 -77.037850 0.001904 LBFGSLineSearch: 14 01:54:35 -77.037850 0.001504 LBFGSLineSearch: 15 01:54:36 -77.037851 0.000512 LBFGSLineSearch: 16 01:54:36 -77.037851 0.000267 LBFGSLineSearch: 17 01:54:37 -77.037851 0.000111 LBFGSLineSearch: 18 01:54:37 -77.037851 0.000104 LBFGSLineSearch: 19 01:54:37 -77.037851 0.000046 LBFGSLineSearch: 20 01:54:38 -77.037851 0.000033 LBFGSLineSearch: 21 01:54:38 -77.037851 0.000028 LBFGSLineSearch: 22 01:54:39 -77.037851 0.000022 LBFGSLineSearch: 23 01:54:40 -77.037851 0.000001 Minimization converged after 23 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:46 -77.469436 0.030828 LBFGSLineSearch: 1 01:54:46 -77.469502 0.039693 LBFGSLineSearch: 2 01:54:46 -77.469579 0.059286 LBFGSLineSearch: 3 01:54:47 -77.469645 0.022158 LBFGSLineSearch: 4 01:54:47 -77.469657 0.017059 LBFGSLineSearch: 5 01:54:48 -77.469670 0.010268 LBFGSLineSearch: 6 01:54:49 -77.469706 0.033915 LBFGSLineSearch: 7 01:54:50 -77.469796 0.013575 LBFGSLineSearch: 8 01:54:50 -77.469820 0.009705 LBFGSLineSearch: 9 01:54:51 -77.469830 0.007037 LBFGSLineSearch: 10 01:54:52 -77.469835 0.003640 LBFGSLineSearch: 11 01:54:52 -77.469839 0.002910 LBFGSLineSearch: 12 01:54:53 -77.469839 0.001092 LBFGSLineSearch: 13 01:54:54 -77.469839 0.001739 LBFGSLineSearch: 14 01:54:56 -77.469840 0.001806 LBFGSLineSearch: 15 01:54:58 -77.469840 0.000511 LBFGSLineSearch: 16 01:55:00 -77.469840 0.000264 LBFGSLineSearch: 17 01:55:01 -77.469840 0.000092 LBFGSLineSearch: 18 01:55:03 -77.469840 0.000134 LBFGSLineSearch: 19 01:55:03 -77.469840 0.000066 LBFGSLineSearch: 20 01:55:03 -77.469840 0.000047 LBFGSLineSearch: 21 01:55:03 -77.469840 0.000044 LBFGSLineSearch: 22 01:55:04 -77.469840 0.000027 LBFGSLineSearch: 23 01:55:05 -77.469840 0.000020 LBFGSLineSearch: 24 01:55:05 -77.469840 0.000000 Minimization converged after 24 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:11 -77.902234 0.030885 LBFGSLineSearch: 1 01:55:12 -77.902300 0.039983 LBFGSLineSearch: 2 01:55:12 -77.902376 0.060829 LBFGSLineSearch: 3 01:55:13 -77.902444 0.022668 LBFGSLineSearch: 4 01:55:13 -77.902456 0.017800 LBFGSLineSearch: 5 01:55:14 -77.902469 0.010231 LBFGSLineSearch: 6 01:55:14 -77.902506 0.036014 LBFGSLineSearch: 7 01:55:15 -77.902595 0.014268 LBFGSLineSearch: 8 01:55:16 -77.902618 0.010029 LBFGSLineSearch: 9 01:55:16 -77.902629 0.006727 LBFGSLineSearch: 10 01:55:18 -77.902633 0.003599 LBFGSLineSearch: 11 01:55:18 -77.902637 0.002831 LBFGSLineSearch: 12 01:55:19 -77.902638 0.001102 LBFGSLineSearch: 13 01:55:19 -77.902638 0.001571 LBFGSLineSearch: 14 01:55:19 -77.902638 0.001841 LBFGSLineSearch: 15 01:55:20 -77.902639 0.000507 LBFGSLineSearch: 16 01:55:20 -77.902639 0.000454 LBFGSLineSearch: 17 01:55:21 -77.902639 0.000078 LBFGSLineSearch: 18 01:55:21 -77.902639 0.000119 LBFGSLineSearch: 19 01:55:22 -77.902639 0.000059 LBFGSLineSearch: 20 01:55:22 -77.902639 0.000035 LBFGSLineSearch: 21 01:55:23 -77.902639 0.000028 LBFGSLineSearch: 22 01:55:23 -77.902639 0.000001 Minimization converged after 22 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:29 -78.335842 0.030943 LBFGSLineSearch: 1 01:55:29 -78.335907 0.040264 LBFGSLineSearch: 2 01:55:29 -78.335982 0.062361 LBFGSLineSearch: 3 01:55:30 -78.336052 0.023231 LBFGSLineSearch: 4 01:55:30 -78.336064 0.018538 LBFGSLineSearch: 5 01:55:30 -78.336078 0.010187 LBFGSLineSearch: 6 01:55:31 -78.336117 0.038242 LBFGSLineSearch: 7 01:55:31 -78.336202 0.014917 LBFGSLineSearch: 8 01:55:32 -78.336225 0.009988 LBFGSLineSearch: 9 01:55:32 -78.336236 0.006539 LBFGSLineSearch: 10 01:55:33 -78.336240 0.003548 LBFGSLineSearch: 11 01:55:33 -78.336245 0.002614 LBFGSLineSearch: 12 01:55:33 -78.336245 0.001115 LBFGSLineSearch: 13 01:55:34 -78.336245 0.001461 LBFGSLineSearch: 14 01:55:34 -78.336246 0.001852 LBFGSLineSearch: 15 01:55:35 -78.336246 0.000500 LBFGSLineSearch: 16 01:55:36 -78.336246 0.000589 LBFGSLineSearch: 17 01:55:36 -78.336246 0.000092 LBFGSLineSearch: 18 01:55:37 -78.336246 0.000136 LBFGSLineSearch: 19 01:55:37 -78.336246 0.000089 LBFGSLineSearch: 20 01:55:38 -78.336246 0.000063 LBFGSLineSearch: 21 01:55:39 -78.336246 0.000026 LBFGSLineSearch: 22 01:55:39 -78.336246 0.000002 Minimization converged after 22 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:46 -78.770258 0.031001 LBFGSLineSearch: 1 01:55:47 -78.770322 0.040538 LBFGSLineSearch: 2 01:55:47 -78.770397 0.063882 LBFGSLineSearch: 3 01:55:48 -78.770468 0.023835 LBFGSLineSearch: 4 01:55:48 -78.770481 0.019274 LBFGSLineSearch: 5 01:55:49 -78.770495 0.010136 LBFGSLineSearch: 6 01:55:49 -78.770536 0.038997 LBFGSLineSearch: 7 01:55:51 -78.770619 0.015301 LBFGSLineSearch: 8 01:55:51 -78.770641 0.009925 LBFGSLineSearch: 9 01:55:52 -78.770653 0.006837 LBFGSLineSearch: 10 01:55:53 -78.770657 0.003481 LBFGSLineSearch: 11 01:55:54 -78.770661 0.001682 LBFGSLineSearch: 12 01:55:55 -78.770661 0.001121 LBFGSLineSearch: 13 01:55:57 -78.770661 0.001606 LBFGSLineSearch: 14 01:55:59 -78.770662 0.001535 LBFGSLineSearch: 15 01:56:01 -78.770663 0.000495 LBFGSLineSearch: 16 01:56:01 -78.770663 0.000960 LBFGSLineSearch: 17 01:56:02 -78.770663 0.000163 LBFGSLineSearch: 18 01:56:02 -78.770663 0.000109 LBFGSLineSearch: 19 01:56:02 -78.770663 0.000074 LBFGSLineSearch: 20 01:56:03 -78.770663 0.000102 LBFGSLineSearch: 21 01:56:03 -78.770663 0.000035 LBFGSLineSearch: 22 01:56:03 -78.770663 0.000021 LBFGSLineSearch: 23 01:56:04 -78.770663 0.000019 LBFGSLineSearch: 24 01:56:04 -78.770663 0.000000 Minimization converged after 24 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:10 -79.205483 0.031059 LBFGSLineSearch: 1 01:56:11 -79.205546 0.040816 LBFGSLineSearch: 2 01:56:11 -79.205621 0.065411 LBFGSLineSearch: 3 01:56:12 -79.205693 0.024466 LBFGSLineSearch: 4 01:56:13 -79.205707 0.019997 LBFGSLineSearch: 5 01:56:13 -79.205721 0.010076 LBFGSLineSearch: 6 01:56:14 -79.205764 0.034855 LBFGSLineSearch: 7 01:56:14 -79.205840 0.013714 LBFGSLineSearch: 8 01:56:15 -79.205863 0.012509 LBFGSLineSearch: 9 01:56:15 -79.205878 0.007011 LBFGSLineSearch: 10 01:56:16 -79.205882 0.003502 LBFGSLineSearch: 11 01:56:17 -79.205886 0.001971 LBFGSLineSearch: 12 01:56:17 -79.205886 0.001168 LBFGSLineSearch: 13 01:56:18 -79.205887 0.001515 LBFGSLineSearch: 14 01:56:19 -79.205887 0.001317 LBFGSLineSearch: 15 01:56:20 -79.205888 0.000477 LBFGSLineSearch: 16 01:56:20 -79.205888 0.000540 LBFGSLineSearch: 17 01:56:21 -79.205888 0.000152 LBFGSLineSearch: 18 01:56:21 -79.205888 0.000120 LBFGSLineSearch: 19 01:56:21 -79.205888 0.000123 LBFGSLineSearch: 20 01:56:22 -79.205888 0.000092 LBFGSLineSearch: 21 01:56:23 -79.205888 0.000080 LBFGSLineSearch: 22 01:56:23 -79.205888 0.000029 LBFGSLineSearch: 23 01:56:24 -79.205888 0.000018 LBFGSLineSearch: 24 01:56:24 -79.205888 0.000000 Minimization converged after 24 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:30 -79.641518 0.031116 LBFGSLineSearch: 1 01:56:31 -79.641580 0.041082 LBFGSLineSearch: 2 01:56:31 -79.641655 0.066930 LBFGSLineSearch: 3 01:56:32 -79.641728 0.025151 LBFGSLineSearch: 4 01:56:32 -79.641742 0.020725 LBFGSLineSearch: 5 01:56:33 -79.641756 0.010010 LBFGSLineSearch: 6 01:56:34 -79.641800 0.030805 LBFGSLineSearch: 7 01:56:34 -79.641873 0.017981 LBFGSLineSearch: 8 01:56:34 -79.641897 0.011595 LBFGSLineSearch: 9 01:56:35 -79.641913 0.006314 LBFGSLineSearch: 10 01:56:35 -79.641916 0.003815 LBFGSLineSearch: 11 01:56:35 -79.641921 0.001523 LBFGSLineSearch: 12 01:56:35 -79.641921 0.001480 LBFGSLineSearch: 13 01:56:36 -79.641922 0.001327 LBFGSLineSearch: 14 01:56:36 -79.641923 0.000873 LBFGSLineSearch: 15 01:56:37 -79.641923 0.000463 LBFGSLineSearch: 16 01:56:37 -79.641923 0.000690 LBFGSLineSearch: 17 01:56:38 -79.641923 0.000121 LBFGSLineSearch: 18 01:56:38 -79.641923 0.000106 LBFGSLineSearch: 19 01:56:39 -79.641923 0.000055 LBFGSLineSearch: 20 01:56:39 -79.641923 0.000010 Minimization converged after 20 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:45 -80.078362 0.031177 LBFGSLineSearch: 1 01:56:46 -80.078423 0.041336 LBFGSLineSearch: 2 01:56:46 -80.078498 0.068441 LBFGSLineSearch: 3 01:56:46 -80.078572 0.025891 LBFGSLineSearch: 4 01:56:46 -80.078588 0.021462 LBFGSLineSearch: 5 01:56:47 -80.078601 0.009936 LBFGSLineSearch: 6 01:56:47 -80.078644 0.027127 LBFGSLineSearch: 7 01:56:48 -80.078718 0.017535 LBFGSLineSearch: 8 01:56:49 -80.078742 0.009634 LBFGSLineSearch: 9 01:56:50 -80.078758 0.004968 LBFGSLineSearch: 10 01:56:50 -80.078761 0.004045 LBFGSLineSearch: 11 01:56:51 -80.078766 0.001544 LBFGSLineSearch: 12 01:56:52 -80.078766 0.001613 LBFGSLineSearch: 13 01:56:52 -80.078767 0.001362 LBFGSLineSearch: 14 01:56:53 -80.078768 0.000989 LBFGSLineSearch: 15 01:56:53 -80.078768 0.000450 LBFGSLineSearch: 16 01:56:54 -80.078768 0.000941 LBFGSLineSearch: 17 01:56:55 -80.078768 0.000130 LBFGSLineSearch: 18 01:56:56 -80.078768 0.000098 LBFGSLineSearch: 19 01:56:57 -80.078768 0.000090 LBFGSLineSearch: 20 01:56:57 -80.078768 0.000015 LBFGSLineSearch: 21 01:56:58 -80.078768 0.000040 LBFGSLineSearch: 22 01:56:59 -80.078768 0.000000 Minimization converged after 22 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:05 -80.516018 0.031232 LBFGSLineSearch: 1 01:57:06 -80.516078 0.041598 LBFGSLineSearch: 2 01:57:06 -80.516153 0.069962 LBFGSLineSearch: 3 01:57:06 -80.516228 0.026636 LBFGSLineSearch: 4 01:57:07 -80.516245 0.022185 LBFGSLineSearch: 5 01:57:07 -80.516258 0.009976 LBFGSLineSearch: 6 01:57:08 -80.516298 0.024296 LBFGSLineSearch: 7 01:57:08 -80.516377 0.013543 LBFGSLineSearch: 8 01:57:09 -80.516399 0.009712 LBFGSLineSearch: 9 01:57:10 -80.516414 0.004776 LBFGSLineSearch: 10 01:57:11 -80.516418 0.004135 LBFGSLineSearch: 11 01:57:12 -80.516422 0.001581 LBFGSLineSearch: 12 01:57:13 -80.516422 0.001916 LBFGSLineSearch: 13 01:57:14 -80.516423 0.001440 LBFGSLineSearch: 14 01:57:14 -80.516424 0.000930 LBFGSLineSearch: 15 01:57:15 -80.516424 0.000429 LBFGSLineSearch: 16 01:57:15 -80.516424 0.001022 LBFGSLineSearch: 17 01:57:16 -80.516424 0.000137 LBFGSLineSearch: 18 01:57:16 -80.516424 0.000119 LBFGSLineSearch: 19 01:57:18 -80.516424 0.000219 LBFGSLineSearch: 20 01:57:20 -80.516424 0.000016 LBFGSLineSearch: 21 01:57:21 -80.516424 0.000017 LBFGSLineSearch: 22 01:57:21 -80.516424 0.000000 Minimization converged after 22 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:28 -80.954487 0.031290 LBFGSLineSearch: 1 01:57:28 -80.954546 0.041850 LBFGSLineSearch: 2 01:57:28 -80.954621 0.071481 LBFGSLineSearch: 3 01:57:29 -80.954697 0.027433 LBFGSLineSearch: 4 01:57:29 -80.954714 0.022917 LBFGSLineSearch: 5 01:57:29 -80.954727 0.010266 LBFGSLineSearch: 6 01:57:29 -80.954762 0.022962 LBFGSLineSearch: 7 01:57:30 -80.954851 0.013805 LBFGSLineSearch: 8 01:57:30 -80.954872 0.011582 LBFGSLineSearch: 9 01:57:32 -80.954884 0.005422 LBFGSLineSearch: 10 01:57:33 -80.954887 0.004313 LBFGSLineSearch: 11 01:57:33 -80.954891 0.001349 LBFGSLineSearch: 12 01:57:34 -80.954892 0.003426 LBFGSLineSearch: 13 01:57:34 -80.954892 0.001611 LBFGSLineSearch: 14 01:57:35 -80.954893 0.000399 LBFGSLineSearch: 15 01:57:36 -80.954893 0.000409 LBFGSLineSearch: 16 01:57:36 -80.954893 0.000379 LBFGSLineSearch: 17 01:57:37 -80.954894 0.000146 LBFGSLineSearch: 18 01:57:37 -80.954894 0.000120 LBFGSLineSearch: 19 01:57:37 -80.954894 0.000190 LBFGSLineSearch: 20 01:57:38 -80.954894 0.000009 Minimization converged after 20 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:45 -81.393770 0.031350 LBFGSLineSearch: 1 01:57:45 -81.393828 0.042104 LBFGSLineSearch: 2 01:57:46 -81.393903 0.073014 LBFGSLineSearch: 3 01:57:46 -81.393980 0.028253 LBFGSLineSearch: 4 01:57:46 -81.393998 0.023634 LBFGSLineSearch: 5 01:57:47 -81.394011 0.011593 LBFGSLineSearch: 6 01:57:47 -81.394041 0.018671 LBFGSLineSearch: 7 01:57:48 -81.394135 0.014395 LBFGSLineSearch: 8 01:57:48 -81.394155 0.014839 LBFGSLineSearch: 9 01:57:49 -81.394168 0.005238 LBFGSLineSearch: 10 01:57:49 -81.394171 0.004320 LBFGSLineSearch: 11 01:57:50 -81.394175 0.001387 LBFGSLineSearch: 12 01:57:50 -81.394176 0.003693 LBFGSLineSearch: 13 01:57:51 -81.394176 0.001712 LBFGSLineSearch: 14 01:57:52 -81.394177 0.000427 LBFGSLineSearch: 15 01:57:53 -81.394177 0.000389 LBFGSLineSearch: 16 01:57:53 -81.394177 0.000413 LBFGSLineSearch: 17 01:57:54 -81.394177 0.000154 LBFGSLineSearch: 18 01:57:54 -81.394178 0.000121 LBFGSLineSearch: 19 01:57:54 -81.394178 0.000161 LBFGSLineSearch: 20 01:57:55 -81.394178 0.000007 Minimization converged after 20 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:02 -81.833870 0.031408 LBFGSLineSearch: 1 01:58:03 -81.833927 0.042344 LBFGSLineSearch: 2 01:58:03 -81.834001 0.074534 LBFGSLineSearch: 3 01:58:03 -81.834079 0.029115 LBFGSLineSearch: 4 01:58:04 -81.834099 0.024378 LBFGSLineSearch: 5 01:58:05 -81.834111 0.013168 LBFGSLineSearch: 6 01:58:07 -81.834137 0.015338 LBFGSLineSearch: 7 01:58:07 -81.834232 0.010701 LBFGSLineSearch: 8 01:58:08 -81.834247 0.009761 LBFGSLineSearch: 9 01:58:08 -81.834260 0.006459 LBFGSLineSearch: 10 01:58:09 -81.834268 0.004044 LBFGSLineSearch: 11 01:58:09 -81.834271 0.003229 LBFGSLineSearch: 12 01:58:09 -81.834273 0.003551 LBFGSLineSearch: 13 01:58:09 -81.834276 0.001541 LBFGSLineSearch: 14 01:58:10 -81.834276 0.001293 LBFGSLineSearch: 15 01:58:10 -81.834277 0.001294 LBFGSLineSearch: 16 01:58:11 -81.834277 0.001412 LBFGSLineSearch: 17 01:58:11 -81.834278 0.000470 LBFGSLineSearch: 18 01:58:11 -81.834278 0.000311 LBFGSLineSearch: 19 01:58:12 -81.834278 0.000325 LBFGSLineSearch: 20 01:58:13 -81.834278 0.000166 LBFGSLineSearch: 21 01:58:14 -81.834278 0.000152 LBFGSLineSearch: 22 01:58:14 -81.834278 0.000195 LBFGSLineSearch: 23 01:58:15 -81.834278 0.000101 LBFGSLineSearch: 24 01:58:15 -81.834278 0.000146 LBFGSLineSearch: 25 01:58:16 -81.834278 0.000117 LBFGSLineSearch: 26 01:58:16 -81.834278 0.000029 LBFGSLineSearch: 27 01:58:17 -81.834278 0.000004 Minimization converged after 27 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:23 -82.274788 0.031466 LBFGSLineSearch: 1 01:58:24 -82.274845 0.042578 LBFGSLineSearch: 2 01:58:24 -82.274919 0.076056 LBFGSLineSearch: 3 01:58:25 -82.274998 0.030009 LBFGSLineSearch: 4 01:58:25 -82.275019 0.025132 LBFGSLineSearch: 5 01:58:26 -82.275031 0.014864 LBFGSLineSearch: 6 01:58:26 -82.275054 0.013191 LBFGSLineSearch: 7 01:58:26 -82.275143 0.008352 LBFGSLineSearch: 8 01:58:27 -82.275167 0.009701 LBFGSLineSearch: 9 01:58:28 -82.275182 0.005671 LBFGSLineSearch: 10 01:58:28 -82.275190 0.003407 LBFGSLineSearch: 11 01:58:28 -82.275194 0.002561 LBFGSLineSearch: 12 01:58:29 -82.275196 0.001794 LBFGSLineSearch: 13 01:58:29 -82.275196 0.001242 LBFGSLineSearch: 14 01:58:30 -82.275197 0.001372 LBFGSLineSearch: 15 01:58:31 -82.275197 0.002164 LBFGSLineSearch: 16 01:58:31 -82.275198 0.000328 LBFGSLineSearch: 17 01:58:32 -82.275198 0.000299 LBFGSLineSearch: 18 01:58:33 -82.275198 0.000183 LBFGSLineSearch: 19 01:58:33 -82.275198 0.000235 LBFGSLineSearch: 20 01:58:34 -82.275198 0.000179 LBFGSLineSearch: 21 01:58:35 -82.275198 0.000057 LBFGSLineSearch: 22 01:58:35 -82.275198 0.000004 Minimization converged after 22 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:42 -82.716529 0.031524 LBFGSLineSearch: 1 01:58:43 -82.716584 0.042820 LBFGSLineSearch: 2 01:58:43 -82.716661 0.071594 LBFGSLineSearch: 3 01:58:44 -82.716749 0.025280 LBFGSLineSearch: 4 01:58:44 -82.716762 0.015542 LBFGSLineSearch: 5 01:58:46 -82.716781 0.013755 LBFGSLineSearch: 6 01:58:47 -82.716843 0.026587 LBFGSLineSearch: 7 01:58:47 -82.716886 0.015850 LBFGSLineSearch: 8 01:58:48 -82.716910 0.008736 LBFGSLineSearch: 9 01:58:48 -82.716924 0.014132 LBFGSLineSearch: 10 01:58:49 -82.716932 0.003486 LBFGSLineSearch: 11 01:58:49 -82.716936 0.001956 LBFGSLineSearch: 12 01:58:50 -82.716938 0.001220 LBFGSLineSearch: 13 01:58:50 -82.716938 0.001647 LBFGSLineSearch: 14 01:58:51 -82.716939 0.001638 LBFGSLineSearch: 15 01:58:52 -82.716940 0.001856 LBFGSLineSearch: 16 01:58:52 -82.716940 0.000569 LBFGSLineSearch: 17 01:58:53 -82.716940 0.000285 LBFGSLineSearch: 18 01:58:54 -82.716940 0.000414 LBFGSLineSearch: 19 01:58:54 -82.716940 0.000176 LBFGSLineSearch: 20 01:58:55 -82.716940 0.000145 LBFGSLineSearch: 21 01:58:55 -82.716940 0.000092 LBFGSLineSearch: 22 01:58:55 -82.716940 0.000002 Minimization converged after 22 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:03 -83.159094 0.031583 LBFGSLineSearch: 1 01:59:03 -83.159149 0.043052 LBFGSLineSearch: 2 01:59:04 -83.159240 0.064344 LBFGSLineSearch: 3 01:59:04 -83.159316 0.025733 LBFGSLineSearch: 4 01:59:05 -83.159328 0.014639 LBFGSLineSearch: 5 01:59:06 -83.159362 0.032097 LBFGSLineSearch: 6 01:59:06 -83.159399 0.024847 LBFGSLineSearch: 7 01:59:07 -83.159447 0.030589 LBFGSLineSearch: 8 01:59:07 -83.159480 0.010387 LBFGSLineSearch: 9 01:59:07 -83.159493 0.007633 LBFGSLineSearch: 10 01:59:08 -83.159497 0.003714 LBFGSLineSearch: 11 01:59:09 -83.159500 0.005572 LBFGSLineSearch: 12 01:59:10 -83.159504 0.002944 LBFGSLineSearch: 13 01:59:10 -83.159504 0.001472 LBFGSLineSearch: 14 01:59:11 -83.159505 0.002634 LBFGSLineSearch: 15 01:59:12 -83.159506 0.001863 LBFGSLineSearch: 16 01:59:12 -83.159507 0.000529 LBFGSLineSearch: 17 01:59:12 -83.159507 0.000716 LBFGSLineSearch: 18 01:59:13 -83.159507 0.000232 LBFGSLineSearch: 19 01:59:13 -83.159507 0.000408 LBFGSLineSearch: 20 01:59:13 -83.159507 0.000155 LBFGSLineSearch: 21 01:59:14 -83.159507 0.000395 LBFGSLineSearch: 22 01:59:14 -83.159507 0.000099 LBFGSLineSearch: 23 01:59:15 -83.159507 0.000034 LBFGSLineSearch: 24 01:59:16 -83.159507 0.000001 Minimization converged after 24 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:22 -83.602488 0.031641 LBFGSLineSearch: 1 01:59:23 -83.602545 0.042124 LBFGSLineSearch: 2 01:59:24 -83.602656 0.066448 LBFGSLineSearch: 3 01:59:25 -83.602742 0.033281 LBFGSLineSearch: 4 01:59:25 -83.602764 0.010423 LBFGSLineSearch: 5 01:59:25 -83.602848 0.031690 LBFGSLineSearch: 6 01:59:25 -83.602870 0.008596 LBFGSLineSearch: 7 01:59:26 -83.602887 0.009896 LBFGSLineSearch: 8 01:59:27 -83.602902 0.013913 LBFGSLineSearch: 9 01:59:27 -83.602911 0.008740 LBFGSLineSearch: 10 01:59:28 -83.602915 0.003474 LBFGSLineSearch: 11 01:59:28 -83.602919 0.009483 LBFGSLineSearch: 12 01:59:29 -83.602924 0.002514 LBFGSLineSearch: 13 01:59:31 -83.602927 0.004622 LBFGSLineSearch: 14 01:59:32 -83.602930 0.002557 LBFGSLineSearch: 15 01:59:32 -83.602931 0.003324 LBFGSLineSearch: 16 01:59:33 -83.602933 0.001232 LBFGSLineSearch: 17 01:59:35 -83.602934 0.000674 LBFGSLineSearch: 18 01:59:37 -83.602934 0.000628 LBFGSLineSearch: 19 01:59:38 -83.602934 0.000536 LBFGSLineSearch: 20 01:59:40 -83.602934 0.000415 LBFGSLineSearch: 21 01:59:43 -83.602934 0.000329 LBFGSLineSearch: 22 01:59:44 -83.602934 0.000039 LBFGSLineSearch: 23 01:59:44 -83.602934 0.000072 LBFGSLineSearch: 24 01:59:45 -83.602934 0.000028 LBFGSLineSearch: 25 01:59:45 -83.602934 0.000103 LBFGSLineSearch: 26 01:59:46 -83.602934 0.000005 Minimization converged after 26 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:52 -84.046869 0.031714 LBFGSLineSearch: 1 01:59:52 -84.046932 0.054478 LBFGSLineSearch: 2 01:59:52 -84.047058 0.068166 LBFGSLineSearch: 3 01:59:54 -84.047163 0.036698 LBFGSLineSearch: 4 01:59:56 -84.047200 0.013044 LBFGSLineSearch: 5 01:59:57 -84.047323 0.031507 LBFGSLineSearch: 6 01:59:57 -84.047344 0.008144 LBFGSLineSearch: 7 01:59:58 -84.047368 0.028785 LBFGSLineSearch: 8 01:59:58 -84.047394 0.003819 LBFGSLineSearch: 9 02:00:00 -84.047400 0.003313 LBFGSLineSearch: 10 02:00:00 -84.047401 0.003010 LBFGSLineSearch: 11 02:00:00 -84.047404 0.002134 LBFGSLineSearch: 12 02:00:01 -84.047406 0.002501 LBFGSLineSearch: 13 02:00:01 -84.047407 0.001820 LBFGSLineSearch: 14 02:00:01 -84.047407 0.001716 LBFGSLineSearch: 15 02:00:02 -84.047408 0.001555 LBFGSLineSearch: 16 02:00:03 -84.047408 0.000582 LBFGSLineSearch: 17 02:00:03 -84.047409 0.000672 LBFGSLineSearch: 18 02:00:04 -84.047409 0.000500 LBFGSLineSearch: 19 02:00:04 -84.047409 0.000453 LBFGSLineSearch: 20 02:00:05 -84.047409 0.000229 LBFGSLineSearch: 21 02:00:07 -84.047409 0.000069 LBFGSLineSearch: 22 02:00:08 -84.047409 0.000054 LBFGSLineSearch: 23 02:00:08 -84.047409 0.000038 LBFGSLineSearch: 24 02:00:09 -84.047409 0.000025 LBFGSLineSearch: 25 02:00:09 -84.047409 0.000014 LBFGSLineSearch: 26 02:00:09 -84.047409 0.000007 Minimization converged after 26 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:16 -84.492424 0.031792 LBFGSLineSearch: 1 02:00:16 -84.492487 0.054539 LBFGSLineSearch: 2 02:00:16 -84.492614 0.069999 LBFGSLineSearch: 3 02:00:17 -84.492722 0.037250 LBFGSLineSearch: 4 02:00:17 -84.492759 0.013119 LBFGSLineSearch: 5 02:00:17 -84.492881 0.033080 LBFGSLineSearch: 6 02:00:18 -84.492903 0.008124 LBFGSLineSearch: 7 02:00:18 -84.492926 0.028124 LBFGSLineSearch: 8 02:00:19 -84.492953 0.003807 LBFGSLineSearch: 9 02:00:20 -84.492959 0.003240 LBFGSLineSearch: 10 02:00:21 -84.492961 0.003063 LBFGSLineSearch: 11 02:00:21 -84.492963 0.002283 LBFGSLineSearch: 12 02:00:22 -84.492964 0.002789 LBFGSLineSearch: 13 02:00:23 -84.492967 0.001841 LBFGSLineSearch: 14 02:00:23 -84.492968 0.001030 LBFGSLineSearch: 15 02:00:23 -84.492968 0.000563 LBFGSLineSearch: 16 02:00:24 -84.492968 0.000565 LBFGSLineSearch: 17 02:00:24 -84.492968 0.000441 LBFGSLineSearch: 18 02:00:25 -84.492968 0.000402 LBFGSLineSearch: 19 02:00:25 -84.492968 0.000079 LBFGSLineSearch: 20 02:00:26 -84.492968 0.000080 LBFGSLineSearch: 21 02:00:26 -84.492968 0.000013 LBFGSLineSearch: 22 02:00:27 -84.492968 0.000014 LBFGSLineSearch: 23 02:00:28 -84.492968 0.000000 Minimization converged after 23 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:34 -84.939073 0.031865 LBFGSLineSearch: 1 02:00:35 -84.939135 0.054612 LBFGSLineSearch: 2 02:00:36 -84.939263 0.071917 LBFGSLineSearch: 3 02:00:37 -84.939373 0.037825 LBFGSLineSearch: 4 02:00:37 -84.939412 0.013202 LBFGSLineSearch: 5 02:00:38 -84.939532 0.034695 LBFGSLineSearch: 6 02:00:38 -84.939556 0.008098 LBFGSLineSearch: 7 02:00:39 -84.939578 0.027398 LBFGSLineSearch: 8 02:00:40 -84.939606 0.003797 LBFGSLineSearch: 9 02:00:40 -84.939612 0.003172 LBFGSLineSearch: 10 02:00:41 -84.939614 0.003116 LBFGSLineSearch: 11 02:00:42 -84.939616 0.002412 LBFGSLineSearch: 12 02:00:42 -84.939617 0.002638 LBFGSLineSearch: 13 02:00:43 -84.939620 0.001851 LBFGSLineSearch: 14 02:00:44 -84.939621 0.001368 LBFGSLineSearch: 15 02:00:44 -84.939621 0.000578 LBFGSLineSearch: 16 02:00:45 -84.939621 0.000485 LBFGSLineSearch: 17 02:00:45 -84.939622 0.000424 LBFGSLineSearch: 18 02:00:46 -84.939622 0.000355 LBFGSLineSearch: 19 02:00:46 -84.939622 0.000080 LBFGSLineSearch: 20 02:00:47 -84.939622 0.000061 LBFGSLineSearch: 21 02:00:47 -84.939622 0.000011 LBFGSLineSearch: 22 02:00:48 -84.939622 0.000018 LBFGSLineSearch: 23 02:00:48 -84.939622 0.000000 Minimization converged after 23 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:55 -85.386825 0.031943 LBFGSLineSearch: 1 02:00:57 -85.386886 0.054670 LBFGSLineSearch: 2 02:00:59 -85.387015 0.073838 LBFGSLineSearch: 3 02:01:01 -85.387128 0.038393 LBFGSLineSearch: 4 02:01:01 -85.387168 0.013284 LBFGSLineSearch: 5 02:01:02 -85.387287 0.036602 LBFGSLineSearch: 6 02:01:02 -85.387312 0.008085 LBFGSLineSearch: 7 02:01:03 -85.387334 0.026985 LBFGSLineSearch: 8 02:01:03 -85.387363 0.003784 LBFGSLineSearch: 9 02:01:04 -85.387369 0.003329 LBFGSLineSearch: 10 02:01:04 -85.387370 0.002925 LBFGSLineSearch: 11 02:01:05 -85.387372 0.003813 LBFGSLineSearch: 12 02:01:05 -85.387374 0.002378 LBFGSLineSearch: 13 02:01:06 -85.387377 0.001979 LBFGSLineSearch: 14 02:01:06 -85.387378 0.001867 LBFGSLineSearch: 15 02:01:07 -85.387378 0.000656 LBFGSLineSearch: 16 02:01:07 -85.387378 0.001263 LBFGSLineSearch: 17 02:01:07 -85.387379 0.000429 LBFGSLineSearch: 18 02:01:08 -85.387379 0.000633 LBFGSLineSearch: 19 02:01:08 -85.387379 0.000179 LBFGSLineSearch: 20 02:01:08 -85.387379 0.000076 LBFGSLineSearch: 21 02:01:08 -85.387379 0.000065 LBFGSLineSearch: 22 02:01:09 -85.387379 0.000014 LBFGSLineSearch: 23 02:01:09 -85.387379 0.000008 Minimization converged after 23 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:16 -85.835691 0.032026 LBFGSLineSearch: 1 02:01:17 -85.835751 0.054727 LBFGSLineSearch: 2 02:01:17 -85.835881 0.075788 LBFGSLineSearch: 3 02:01:18 -85.835998 0.038962 LBFGSLineSearch: 4 02:01:19 -85.836038 0.013368 LBFGSLineSearch: 5 02:01:19 -85.836132 0.022934 LBFGSLineSearch: 6 02:01:20 -85.836183 0.008093 LBFGSLineSearch: 7 02:01:20 -85.836206 0.014364 LBFGSLineSearch: 8 02:01:21 -85.836233 0.003902 LBFGSLineSearch: 9 02:01:21 -85.836239 0.007246 LBFGSLineSearch: 10 02:01:22 -85.836241 0.002925 LBFGSLineSearch: 11 02:01:23 -85.836244 0.002411 LBFGSLineSearch: 12 02:01:23 -85.836245 0.002207 LBFGSLineSearch: 13 02:01:24 -85.836246 0.002817 LBFGSLineSearch: 14 02:01:25 -85.836248 0.001823 LBFGSLineSearch: 15 02:01:25 -85.836249 0.000998 LBFGSLineSearch: 16 02:01:26 -85.836250 0.000516 LBFGSLineSearch: 17 02:01:26 -85.836250 0.000419 LBFGSLineSearch: 18 02:01:27 -85.836250 0.000387 LBFGSLineSearch: 19 02:01:27 -85.836250 0.000351 LBFGSLineSearch: 20 02:01:27 -85.836250 0.000239 LBFGSLineSearch: 21 02:01:27 -85.836250 0.000074 LBFGSLineSearch: 22 02:01:28 -85.836250 0.000007 Minimization converged after 22 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:33 -86.285682 0.032106 LBFGSLineSearch: 1 02:01:34 -86.285742 0.054783 LBFGSLineSearch: 2 02:01:34 -86.285873 0.077789 LBFGSLineSearch: 3 02:01:34 -86.285992 0.039539 LBFGSLineSearch: 4 02:01:35 -86.286033 0.013457 LBFGSLineSearch: 5 02:01:35 -86.286128 0.023836 LBFGSLineSearch: 6 02:01:35 -86.286179 0.008645 LBFGSLineSearch: 7 02:01:36 -86.286201 0.014616 LBFGSLineSearch: 8 02:01:36 -86.286230 0.003895 LBFGSLineSearch: 9 02:01:37 -86.286236 0.007714 LBFGSLineSearch: 10 02:01:37 -86.286238 0.003019 LBFGSLineSearch: 11 02:01:39 -86.286242 0.002635 LBFGSLineSearch: 12 02:01:39 -86.286244 0.005840 LBFGSLineSearch: 13 02:01:39 -86.286246 0.002104 LBFGSLineSearch: 14 02:01:40 -86.286246 0.004385 LBFGSLineSearch: 15 02:01:40 -86.286247 0.000594 LBFGSLineSearch: 16 02:01:40 -86.286247 0.000331 LBFGSLineSearch: 17 02:01:41 -86.286247 0.000340 LBFGSLineSearch: 18 02:01:43 -86.286247 0.000257 LBFGSLineSearch: 19 02:01:45 -86.286247 0.000081 LBFGSLineSearch: 20 02:01:47 -86.286247 0.000018 LBFGSLineSearch: 21 02:01:48 -86.286247 0.000006 Minimization converged after 21 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:54 -86.736812 0.032186 LBFGSLineSearch: 1 02:01:55 -86.736871 0.054834 LBFGSLineSearch: 2 02:01:55 -86.737003 0.079807 LBFGSLineSearch: 3 02:01:55 -86.737126 0.040116 LBFGSLineSearch: 4 02:01:56 -86.737167 0.013544 LBFGSLineSearch: 5 02:01:56 -86.737262 0.024730 LBFGSLineSearch: 6 02:01:56 -86.737314 0.009248 LBFGSLineSearch: 7 02:01:57 -86.737336 0.014747 LBFGSLineSearch: 8 02:01:57 -86.737366 0.004127 LBFGSLineSearch: 9 02:01:57 -86.737371 0.007989 LBFGSLineSearch: 10 02:01:59 -86.737374 0.003103 LBFGSLineSearch: 11 02:02:00 -86.737378 0.002788 LBFGSLineSearch: 12 02:02:01 -86.737379 0.006521 LBFGSLineSearch: 13 02:02:01 -86.737382 0.002078 LBFGSLineSearch: 14 02:02:02 -86.737383 0.001275 LBFGSLineSearch: 15 02:02:02 -86.737383 0.000591 LBFGSLineSearch: 16 02:02:03 -86.737383 0.001266 LBFGSLineSearch: 17 02:02:03 -86.737384 0.000310 LBFGSLineSearch: 18 02:02:03 -86.737384 0.000102 LBFGSLineSearch: 19 02:02:04 -86.737384 0.000097 LBFGSLineSearch: 20 02:02:04 -86.737384 0.000015 LBFGSLineSearch: 21 02:02:04 -86.737384 0.000005 Minimization converged after 21 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:10 -87.189094 0.032267 LBFGSLineSearch: 1 02:02:12 -87.189152 0.054884 LBFGSLineSearch: 2 02:02:12 -87.189285 0.081862 LBFGSLineSearch: 3 02:02:13 -87.189411 0.040695 LBFGSLineSearch: 4 02:02:13 -87.189453 0.013634 LBFGSLineSearch: 5 02:02:14 -87.189549 0.025642 LBFGSLineSearch: 6 02:02:14 -87.189601 0.009900 LBFGSLineSearch: 7 02:02:15 -87.189622 0.014765 LBFGSLineSearch: 8 02:02:15 -87.189654 0.004411 LBFGSLineSearch: 9 02:02:16 -87.189658 0.008080 LBFGSLineSearch: 10 02:02:16 -87.189662 0.003181 LBFGSLineSearch: 11 02:02:16 -87.189666 0.002949 LBFGSLineSearch: 12 02:02:17 -87.189668 0.006418 LBFGSLineSearch: 13 02:02:18 -87.189670 0.002113 LBFGSLineSearch: 14 02:02:21 -87.189672 0.001347 LBFGSLineSearch: 15 02:02:24 -87.189672 0.000600 LBFGSLineSearch: 16 02:02:25 -87.189672 0.001214 LBFGSLineSearch: 17 02:02:26 -87.189672 0.000271 LBFGSLineSearch: 18 02:02:27 -87.189672 0.000103 LBFGSLineSearch: 19 02:02:27 -87.189672 0.000125 LBFGSLineSearch: 20 02:02:27 -87.189672 0.000025 LBFGSLineSearch: 21 02:02:28 -87.189672 0.000005 Minimization converged after 21 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:34 -87.642541 0.032350 LBFGSLineSearch: 1 02:02:35 -87.642599 0.054931 LBFGSLineSearch: 2 02:02:35 -87.642733 0.083947 LBFGSLineSearch: 3 02:02:36 -87.642863 0.041275 LBFGSLineSearch: 4 02:02:37 -87.642906 0.013727 LBFGSLineSearch: 5 02:02:38 -87.643002 0.026558 LBFGSLineSearch: 6 02:02:39 -87.643055 0.010586 LBFGSLineSearch: 7 02:02:39 -87.643076 0.014688 LBFGSLineSearch: 8 02:02:40 -87.643108 0.004741 LBFGSLineSearch: 9 02:02:41 -87.643113 0.008015 LBFGSLineSearch: 10 02:02:41 -87.643117 0.003252 LBFGSLineSearch: 11 02:02:41 -87.643121 0.003277 LBFGSLineSearch: 12 02:02:42 -87.643123 0.006230 LBFGSLineSearch: 13 02:02:42 -87.643126 0.002143 LBFGSLineSearch: 14 02:02:43 -87.643127 0.001430 LBFGSLineSearch: 15 02:02:43 -87.643127 0.000607 LBFGSLineSearch: 16 02:02:44 -87.643127 0.001156 LBFGSLineSearch: 17 02:02:44 -87.643127 0.000229 LBFGSLineSearch: 18 02:02:45 -87.643127 0.000098 LBFGSLineSearch: 19 02:02:47 -87.643127 0.000121 LBFGSLineSearch: 20 02:02:47 -87.643127 0.000024 LBFGSLineSearch: 21 02:02:48 -87.643127 0.000004 Minimization converged after 21 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:54 -88.097171 0.032433 LBFGSLineSearch: 1 02:02:55 -88.097228 0.054975 LBFGSLineSearch: 2 02:02:55 -88.097363 0.086058 LBFGSLineSearch: 3 02:02:55 -88.097497 0.041855 LBFGSLineSearch: 4 02:02:55 -88.097541 0.013822 LBFGSLineSearch: 5 02:02:56 -88.097637 0.027480 LBFGSLineSearch: 6 02:02:56 -88.097691 0.011304 LBFGSLineSearch: 7 02:02:56 -88.097712 0.014542 LBFGSLineSearch: 8 02:02:57 -88.097745 0.005115 LBFGSLineSearch: 9 02:02:57 -88.097750 0.007836 LBFGSLineSearch: 10 02:02:58 -88.097754 0.003317 LBFGSLineSearch: 11 02:02:58 -88.097759 0.003767 LBFGSLineSearch: 12 02:02:59 -88.097761 0.006016 LBFGSLineSearch: 13 02:02:59 -88.097764 0.002169 LBFGSLineSearch: 14 02:03:00 -88.097765 0.001524 LBFGSLineSearch: 15 02:03:00 -88.097765 0.000615 LBFGSLineSearch: 16 02:03:01 -88.097765 0.001092 LBFGSLineSearch: 17 02:03:01 -88.097765 0.000186 LBFGSLineSearch: 18 02:03:01 -88.097765 0.000089 LBFGSLineSearch: 19 02:03:02 -88.097765 0.000107 LBFGSLineSearch: 20 02:03:02 -88.097765 0.000019 LBFGSLineSearch: 21 02:03:02 -88.097765 0.000004 Minimization converged after 21 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:09 -88.553000 0.032518 LBFGSLineSearch: 1 02:03:10 -88.553056 0.055016 LBFGSLineSearch: 2 02:03:11 -88.553193 0.087815 LBFGSLineSearch: 3 02:03:11 -88.553330 0.042313 LBFGSLineSearch: 4 02:03:11 -88.553375 0.013912 LBFGSLineSearch: 5 02:03:12 -88.553472 0.027285 LBFGSLineSearch: 6 02:03:12 -88.553527 0.011208 LBFGSLineSearch: 7 02:03:12 -88.553547 0.014528 LBFGSLineSearch: 8 02:03:12 -88.553582 0.005132 LBFGSLineSearch: 9 02:03:13 -88.553586 0.007806 LBFGSLineSearch: 10 02:03:13 -88.553591 0.003367 LBFGSLineSearch: 11 02:03:14 -88.553596 0.004168 LBFGSLineSearch: 12 02:03:14 -88.553598 0.006017 LBFGSLineSearch: 13 02:03:15 -88.553601 0.002192 LBFGSLineSearch: 14 02:03:15 -88.553602 0.001364 LBFGSLineSearch: 15 02:03:16 -88.553603 0.000610 LBFGSLineSearch: 16 02:03:16 -88.553603 0.001112 LBFGSLineSearch: 17 02:03:17 -88.553603 0.000144 LBFGSLineSearch: 18 02:03:17 -88.553603 0.000076 LBFGSLineSearch: 19 02:03:18 -88.553603 0.000095 LBFGSLineSearch: 20 02:03:18 -88.553603 0.000008 Minimization converged after 20 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:24 -89.010046 0.032610 LBFGSLineSearch: 1 02:03:25 -89.010101 0.055042 LBFGSLineSearch: 2 02:03:25 -89.010240 0.082139 LBFGSLineSearch: 3 02:03:26 -89.010382 0.038230 LBFGSLineSearch: 4 02:03:26 -89.010427 0.013936 LBFGSLineSearch: 5 02:03:27 -89.010567 0.017061 LBFGSLineSearch: 6 02:03:27 -89.010587 0.014969 LBFGSLineSearch: 7 02:03:28 -89.010632 0.010952 LBFGSLineSearch: 8 02:03:28 -89.010636 0.003716 LBFGSLineSearch: 9 02:03:28 -89.010641 0.011529 LBFGSLineSearch: 10 02:03:29 -89.010645 0.003488 LBFGSLineSearch: 11 02:03:29 -89.010651 0.003334 LBFGSLineSearch: 12 02:03:30 -89.010654 0.003184 LBFGSLineSearch: 13 02:03:30 -89.010656 0.002168 LBFGSLineSearch: 14 02:03:30 -89.010656 0.002076 LBFGSLineSearch: 15 02:03:31 -89.010657 0.000966 LBFGSLineSearch: 16 02:03:31 -89.010657 0.000864 LBFGSLineSearch: 17 02:03:31 -89.010658 0.000098 LBFGSLineSearch: 18 02:03:32 -89.010658 0.000072 LBFGSLineSearch: 19 02:03:32 -89.010658 0.000039 LBFGSLineSearch: 20 02:03:32 -89.010658 0.000057 LBFGSLineSearch: 21 02:03:33 -89.010658 0.000003 Minimization converged after 21 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:39 -89.468328 0.032692 LBFGSLineSearch: 1 02:03:39 -89.468382 0.055087 LBFGSLineSearch: 2 02:03:40 -89.468528 0.076613 LBFGSLineSearch: 3 02:03:40 -89.468671 0.034215 LBFGSLineSearch: 4 02:03:41 -89.468715 0.013986 LBFGSLineSearch: 5 02:03:41 -89.468851 0.029643 LBFGSLineSearch: 6 02:03:42 -89.468872 0.010618 LBFGSLineSearch: 7 02:03:43 -89.468895 0.031707 LBFGSLineSearch: 8 02:03:43 -89.468927 0.008283 LBFGSLineSearch: 9 02:03:44 -89.468929 0.004000 LBFGSLineSearch: 10 02:03:45 -89.468934 0.011470 LBFGSLineSearch: 11 02:03:45 -89.468937 0.003561 LBFGSLineSearch: 12 02:03:46 -89.468943 0.002636 LBFGSLineSearch: 13 02:03:46 -89.468946 0.001967 LBFGSLineSearch: 14 02:03:47 -89.468948 0.002089 LBFGSLineSearch: 15 02:03:49 -89.468948 0.001951 LBFGSLineSearch: 16 02:03:49 -89.468949 0.000535 LBFGSLineSearch: 17 02:03:50 -89.468949 0.000304 LBFGSLineSearch: 18 02:03:50 -89.468949 0.000115 LBFGSLineSearch: 19 02:03:51 -89.468949 0.000043 LBFGSLineSearch: 20 02:03:52 -89.468949 0.000021 LBFGSLineSearch: 21 02:03:52 -89.468949 0.000015 LBFGSLineSearch: 22 02:03:52 -89.468949 0.000003 Minimization converged after 22 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:59 -89.927866 0.032781 LBFGSLineSearch: 1 02:03:59 -89.927921 0.055117 LBFGSLineSearch: 2 02:03:59 -89.928074 0.071379 LBFGSLineSearch: 3 02:04:00 -89.928215 0.037306 LBFGSLineSearch: 4 02:04:00 -89.928260 0.016261 LBFGSLineSearch: 5 02:04:00 -89.928356 0.032418 LBFGSLineSearch: 6 02:04:00 -89.928411 0.020005 LBFGSLineSearch: 7 02:04:01 -89.928429 0.009679 LBFGSLineSearch: 8 02:04:01 -89.928450 0.027005 LBFGSLineSearch: 9 02:04:02 -89.928475 0.012740 LBFGSLineSearch: 10 02:04:02 -89.928479 0.003845 LBFGSLineSearch: 11 02:04:02 -89.928483 0.011206 LBFGSLineSearch: 12 02:04:02 -89.928487 0.004236 LBFGSLineSearch: 13 02:04:03 -89.928493 0.005445 LBFGSLineSearch: 14 02:04:03 -89.928495 0.003512 LBFGSLineSearch: 15 02:04:03 -89.928497 0.001909 LBFGSLineSearch: 16 02:04:04 -89.928498 0.001643 LBFGSLineSearch: 17 02:04:04 -89.928499 0.000472 LBFGSLineSearch: 18 02:04:05 -89.928499 0.000092 LBFGSLineSearch: 19 02:04:06 -89.928499 0.000078 LBFGSLineSearch: 20 02:04:06 -89.928499 0.000009 Minimization converged after 20 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:14 -90.388685 0.032875 LBFGSLineSearch: 1 02:04:14 -90.388738 0.055180 LBFGSLineSearch: 2 02:04:15 -90.388903 0.066429 LBFGSLineSearch: 3 02:04:16 -90.389039 0.040936 LBFGSLineSearch: 4 02:04:17 -90.389084 0.021702 LBFGSLineSearch: 5 02:04:17 -90.389158 0.053573 LBFGSLineSearch: 6 02:04:18 -90.389215 0.035700 LBFGSLineSearch: 7 02:04:19 -90.389253 0.009385 LBFGSLineSearch: 8 02:04:19 -90.389272 0.025070 LBFGSLineSearch: 9 02:04:20 -90.389305 0.003772 LBFGSLineSearch: 10 02:04:21 -90.389309 0.005316 LBFGSLineSearch: 11 02:04:21 -90.389316 0.003285 LBFGSLineSearch: 12 02:04:21 -90.389323 0.007530 LBFGSLineSearch: 13 02:04:21 -90.389324 0.005393 LBFGSLineSearch: 14 02:04:21 -90.389327 0.002116 LBFGSLineSearch: 15 02:04:22 -90.389328 0.001633 LBFGSLineSearch: 16 02:04:22 -90.389329 0.000560 LBFGSLineSearch: 17 02:04:22 -90.389329 0.000938 LBFGSLineSearch: 18 02:04:23 -90.389329 0.000129 LBFGSLineSearch: 19 02:04:23 -90.389329 0.000116 LBFGSLineSearch: 20 02:04:23 -90.389329 0.000034 LBFGSLineSearch: 21 02:04:23 -90.389329 0.000025 LBFGSLineSearch: 22 02:04:24 -90.389329 0.000002 Minimization converged after 22 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:30 -90.850807 0.032963 LBFGSLineSearch: 1 02:04:31 -90.850860 0.055162 LBFGSLineSearch: 2 02:04:31 -90.851038 0.061768 LBFGSLineSearch: 3 02:04:31 -90.851166 0.045415 LBFGSLineSearch: 4 02:04:32 -90.851212 0.028382 LBFGSLineSearch: 5 02:04:32 -90.851257 0.041981 LBFGSLineSearch: 6 02:04:33 -90.851317 0.040540 LBFGSLineSearch: 7 02:04:33 -90.851381 0.014150 LBFGSLineSearch: 8 02:04:34 -90.851403 0.022771 LBFGSLineSearch: 9 02:04:34 -90.851439 0.003633 LBFGSLineSearch: 10 02:04:34 -90.851442 0.004350 LBFGSLineSearch: 11 02:04:35 -90.851450 0.003748 LBFGSLineSearch: 12 02:04:35 -90.851456 0.007401 LBFGSLineSearch: 13 02:04:36 -90.851458 0.002498 LBFGSLineSearch: 14 02:04:36 -90.851460 0.002268 LBFGSLineSearch: 15 02:04:37 -90.851461 0.005117 LBFGSLineSearch: 16 02:04:39 -90.851463 0.001696 LBFGSLineSearch: 17 02:04:39 -90.851463 0.000802 LBFGSLineSearch: 18 02:04:40 -90.851463 0.000394 LBFGSLineSearch: 19 02:04:40 -90.851464 0.000287 LBFGSLineSearch: 20 02:04:41 -90.851464 0.000117 LBFGSLineSearch: 21 02:04:42 -90.851464 0.000079 LBFGSLineSearch: 22 02:04:44 -90.851464 0.000062 LBFGSLineSearch: 23 02:04:44 -90.851464 0.000046 LBFGSLineSearch: 24 02:04:45 -90.851464 0.000041 LBFGSLineSearch: 25 02:04:45 -90.851464 0.000011 LBFGSLineSearch: 26 02:04:45 -90.851464 0.000001 Minimization converged after 26 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:52 -91.314259 0.033057 LBFGSLineSearch: 1 02:04:52 -91.314312 0.055178 LBFGSLineSearch: 2 02:04:52 -91.314505 0.057460 LBFGSLineSearch: 3 02:04:53 -91.314624 0.049514 LBFGSLineSearch: 4 02:04:54 -91.314671 0.034097 LBFGSLineSearch: 5 02:04:54 -91.314715 0.039701 LBFGSLineSearch: 6 02:04:55 -91.314766 0.042768 LBFGSLineSearch: 7 02:04:55 -91.314847 0.009794 LBFGSLineSearch: 8 02:04:56 -91.314867 0.018285 LBFGSLineSearch: 9 02:04:57 -91.314904 0.003978 LBFGSLineSearch: 10 02:04:57 -91.314907 0.004671 LBFGSLineSearch: 11 02:04:58 -91.314916 0.003873 LBFGSLineSearch: 12 02:04:58 -91.314919 0.004090 LBFGSLineSearch: 13 02:04:59 -91.314925 0.002022 LBFGSLineSearch: 14 02:04:59 -91.314928 0.002012 LBFGSLineSearch: 15 02:05:00 -91.314929 0.001898 LBFGSLineSearch: 16 02:05:01 -91.314929 0.001335 LBFGSLineSearch: 17 02:05:02 -91.314930 0.000420 LBFGSLineSearch: 18 02:05:03 -91.314930 0.000090 LBFGSLineSearch: 19 02:05:03 -91.314930 0.000146 LBFGSLineSearch: 20 02:05:04 -91.314930 0.000078 LBFGSLineSearch: 21 02:05:05 -91.314930 0.000056 LBFGSLineSearch: 22 02:05:05 -91.314930 0.000082 LBFGSLineSearch: 23 02:05:05 -91.314930 0.000007 Minimization converged after 23 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:12 -91.779071 0.033157 LBFGSLineSearch: 1 02:05:13 -91.779123 0.055187 LBFGSLineSearch: 2 02:05:13 -91.779333 0.053507 LBFGSLineSearch: 3 02:05:13 -91.779425 0.081737 LBFGSLineSearch: 4 02:05:14 -91.779486 0.042857 LBFGSLineSearch: 5 02:05:14 -91.779531 0.012478 LBFGSLineSearch: 6 02:05:14 -91.779569 0.029809 LBFGSLineSearch: 7 02:05:15 -91.779620 0.042970 LBFGSLineSearch: 8 02:05:15 -91.779668 0.038236 LBFGSLineSearch: 9 02:05:15 -91.779700 0.011289 LBFGSLineSearch: 10 02:05:16 -91.779720 0.030427 LBFGSLineSearch: 11 02:05:16 -91.779760 0.006585 LBFGSLineSearch: 12 02:05:17 -91.779774 0.012585 LBFGSLineSearch: 13 02:05:18 -92.179121 0.207643 LBFGSLineSearch: 14 02:05:19 -92.179121 0.206013 LBFGSLineSearch: 15 02:05:19 -92.187852 0.124744 LBFGSLineSearch: 16 02:05:20 -92.193108 0.382795 LBFGSLineSearch: 17 02:05:21 -92.196737 0.128219 LBFGSLineSearch: 18 02:05:22 -92.197693 0.140329 LBFGSLineSearch: 19 02:05:23 -92.198532 0.039674 LBFGSLineSearch: 20 02:05:24 -92.199304 0.052584 LBFGSLineSearch: 21 02:05:24 -92.199556 0.029133 LBFGSLineSearch: 22 02:05:25 -92.199654 0.028931 LBFGSLineSearch: 23 02:05:25 -92.200618 0.052319 LBFGSLineSearch: 24 02:05:26 -92.213060 0.563687 LBFGSLineSearch: 25 02:05:27 -92.213160 0.566805 LBFGSLineSearch: 26 02:05:28 -92.231864 0.233412 LBFGSLineSearch: 27 02:05:28 -92.234798 0.200578 LBFGSLineSearch: 28 02:05:29 -92.237098 0.150549 LBFGSLineSearch: 29 02:05:29 -92.238573 0.108538 LBFGSLineSearch: 30 02:05:29 -92.240664 0.271133 LBFGSLineSearch: 31 02:05:30 -92.242687 0.098835 LBFGSLineSearch: 32 02:05:30 -92.242898 0.022792 LBFGSLineSearch: 33 02:05:31 -92.242975 0.021143 LBFGSLineSearch: 34 02:05:31 -92.243040 0.023028 LBFGSLineSearch: 35 02:05:32 -92.243077 0.016378 LBFGSLineSearch: 36 02:05:32 -92.243100 0.015671 LBFGSLineSearch: 37 02:05:33 -92.243197 0.016031 LBFGSLineSearch: 38 02:05:33 -92.243255 0.007109 LBFGSLineSearch: 39 02:05:33 -92.243256 0.001751 LBFGSLineSearch: 40 02:05:34 -92.243256 0.003880 LBFGSLineSearch: 41 02:05:34 -92.243258 0.004280 LBFGSLineSearch: 42 02:05:35 -92.243259 0.000421 LBFGSLineSearch: 43 02:05:35 -92.243259 0.000134 LBFGSLineSearch: 44 02:05:36 -92.243259 0.000003 Minimization converged after 44 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:43 -92.717679 0.033889 LBFGSLineSearch: 1 02:05:43 -92.717708 0.050694 LBFGSLineSearch: 2 02:05:44 -92.717908 0.125906 LBFGSLineSearch: 3 02:05:44 -92.718027 0.039861 LBFGSLineSearch: 4 02:05:44 -92.718043 0.013675 LBFGSLineSearch: 5 02:05:44 -92.718100 0.022342 LBFGSLineSearch: 6 02:05:44 -92.718112 0.005814 LBFGSLineSearch: 7 02:05:45 -92.718114 0.003071 LBFGSLineSearch: 8 02:05:45 -92.718115 0.006768 LBFGSLineSearch: 9 02:05:45 -92.718119 0.003674 LBFGSLineSearch: 10 02:05:46 -92.718121 0.002821 LBFGSLineSearch: 11 02:05:46 -92.718122 0.005183 LBFGSLineSearch: 12 02:05:46 -92.718124 0.000629 LBFGSLineSearch: 13 02:05:47 -92.718124 0.000558 LBFGSLineSearch: 14 02:05:47 -92.718124 0.001574 LBFGSLineSearch: 15 02:05:47 -92.718124 0.000200 LBFGSLineSearch: 16 02:05:48 -92.718124 0.000325 LBFGSLineSearch: 17 02:05:48 -92.718124 0.000151 LBFGSLineSearch: 18 02:05:49 -92.718124 0.000022 LBFGSLineSearch: 19 02:05:50 -92.718124 0.000007 Minimization converged after 19 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:56 -93.193438 0.033955 LBFGSLineSearch: 1 02:05:57 -93.193467 0.051189 LBFGSLineSearch: 2 02:05:58 -93.193669 0.127821 LBFGSLineSearch: 3 02:05:58 -93.193792 0.041072 LBFGSLineSearch: 4 02:05:59 -93.193809 0.013732 LBFGSLineSearch: 5 02:05:59 -93.193867 0.022156 LBFGSLineSearch: 6 02:06:00 -93.193880 0.005901 LBFGSLineSearch: 7 02:06:00 -93.193882 0.003212 LBFGSLineSearch: 8 02:06:01 -93.193883 0.007075 LBFGSLineSearch: 9 02:06:01 -93.193887 0.003821 LBFGSLineSearch: 10 02:06:02 -93.193889 0.003357 LBFGSLineSearch: 11 02:06:02 -93.193891 0.005254 LBFGSLineSearch: 12 02:06:02 -93.193893 0.000661 LBFGSLineSearch: 13 02:06:03 -93.193893 0.000763 LBFGSLineSearch: 14 02:06:03 -93.193893 0.001242 LBFGSLineSearch: 15 02:06:03 -93.193893 0.000201 LBFGSLineSearch: 16 02:06:04 -93.193893 0.000315 LBFGSLineSearch: 17 02:06:04 -93.193894 0.000096 LBFGSLineSearch: 18 02:06:05 -93.193894 0.000058 LBFGSLineSearch: 19 02:06:05 -93.193894 0.000007 Minimization converged after 19 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:12 -93.670121 0.034020 LBFGSLineSearch: 1 02:06:12 -93.670150 0.051708 LBFGSLineSearch: 2 02:06:14 -93.670354 0.129778 LBFGSLineSearch: 3 02:06:14 -93.670481 0.042370 LBFGSLineSearch: 4 02:06:16 -93.670498 0.013787 LBFGSLineSearch: 5 02:06:17 -93.670558 0.021912 LBFGSLineSearch: 6 02:06:17 -93.670572 0.005971 LBFGSLineSearch: 7 02:06:17 -93.670574 0.003364 LBFGSLineSearch: 8 02:06:18 -93.670575 0.007389 LBFGSLineSearch: 9 02:06:18 -93.670580 0.003987 LBFGSLineSearch: 10 02:06:18 -93.670582 0.003880 LBFGSLineSearch: 11 02:06:19 -93.670584 0.005292 LBFGSLineSearch: 12 02:06:19 -93.670586 0.000708 LBFGSLineSearch: 13 02:06:20 -93.670586 0.001167 LBFGSLineSearch: 14 02:06:20 -93.670586 0.000920 LBFGSLineSearch: 15 02:06:20 -93.670587 0.000326 LBFGSLineSearch: 16 02:06:20 -93.670587 0.000205 LBFGSLineSearch: 17 02:06:21 -93.670587 0.000282 LBFGSLineSearch: 18 02:06:21 -93.670587 0.000102 LBFGSLineSearch: 19 02:06:21 -93.670587 0.000022 LBFGSLineSearch: 20 02:06:21 -93.670587 0.000007 Minimization converged after 20 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:28 -94.147749 0.034088 LBFGSLineSearch: 1 02:06:29 -94.147778 0.052234 LBFGSLineSearch: 2 02:06:29 -94.147982 0.131789 LBFGSLineSearch: 3 02:06:30 -94.148114 0.043737 LBFGSLineSearch: 4 02:06:31 -94.148133 0.013846 LBFGSLineSearch: 5 02:06:31 -94.148194 0.021663 LBFGSLineSearch: 6 02:06:32 -94.148209 0.006050 LBFGSLineSearch: 7 02:06:32 -94.148211 0.003527 LBFGSLineSearch: 8 02:06:33 -94.148212 0.007705 LBFGSLineSearch: 9 02:06:33 -94.148217 0.004176 LBFGSLineSearch: 10 02:06:33 -94.148220 0.004324 LBFGSLineSearch: 11 02:06:34 -94.148222 0.005401 LBFGSLineSearch: 12 02:06:34 -94.148225 0.000794 LBFGSLineSearch: 13 02:06:35 -94.148225 0.001548 LBFGSLineSearch: 14 02:06:36 -94.148225 0.000619 LBFGSLineSearch: 15 02:06:37 -94.148225 0.002048 LBFGSLineSearch: 16 02:06:37 -94.148225 0.000247 LBFGSLineSearch: 17 02:06:38 -94.148225 0.000118 LBFGSLineSearch: 18 02:06:39 -94.148225 0.000163 LBFGSLineSearch: 19 02:06:40 -94.148225 0.000014 LBFGSLineSearch: 20 02:06:40 -94.148225 0.000007 Minimization converged after 20 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:46 -94.626345 0.034156 LBFGSLineSearch: 1 02:06:47 -94.626373 0.052763 LBFGSLineSearch: 2 02:06:47 -94.626579 0.133877 LBFGSLineSearch: 3 02:06:48 -94.626716 0.045192 LBFGSLineSearch: 4 02:06:48 -94.626736 0.013916 LBFGSLineSearch: 5 02:06:48 -94.626799 0.021450 LBFGSLineSearch: 6 02:06:49 -94.626815 0.006168 LBFGSLineSearch: 7 02:06:49 -94.626817 0.003703 LBFGSLineSearch: 8 02:06:50 -94.626818 0.008013 LBFGSLineSearch: 9 02:06:50 -94.626824 0.004397 LBFGSLineSearch: 10 02:06:51 -94.626827 0.004051 LBFGSLineSearch: 11 02:06:51 -94.626829 0.003218 LBFGSLineSearch: 12 02:06:51 -94.626830 0.003936 LBFGSLineSearch: 13 02:06:52 -94.626832 0.001515 LBFGSLineSearch: 14 02:06:52 -94.626833 0.001114 LBFGSLineSearch: 15 02:06:53 -94.626833 0.000657 LBFGSLineSearch: 16 02:06:54 -94.626833 0.000597 LBFGSLineSearch: 17 02:06:56 -94.626833 0.000551 LBFGSLineSearch: 18 02:06:57 -94.626833 0.000261 LBFGSLineSearch: 19 02:06:57 -94.626833 0.000102 LBFGSLineSearch: 20 02:06:58 -94.626833 0.000275 LBFGSLineSearch: 21 02:06:58 -94.626833 0.000012 LBFGSLineSearch: 22 02:06:59 -94.626833 0.000018 LBFGSLineSearch: 23 02:06:59 -94.626833 0.000007 Minimization converged after 23 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:05 -95.105934 0.034225 LBFGSLineSearch: 1 02:07:05 -95.105963 0.053276 LBFGSLineSearch: 2 02:07:06 -95.106170 0.136056 LBFGSLineSearch: 3 02:07:06 -95.106312 0.046760 LBFGSLineSearch: 4 02:07:07 -95.106333 0.014021 LBFGSLineSearch: 5 02:07:07 -95.106398 0.021360 LBFGSLineSearch: 6 02:07:07 -95.106415 0.006372 LBFGSLineSearch: 7 02:07:08 -95.106417 0.003894 LBFGSLineSearch: 8 02:07:09 -95.106419 0.008346 LBFGSLineSearch: 9 02:07:10 -95.106426 0.004647 LBFGSLineSearch: 10 02:07:10 -95.106429 0.004301 LBFGSLineSearch: 11 02:07:10 -95.106431 0.003433 LBFGSLineSearch: 12 02:07:11 -95.106433 0.004227 LBFGSLineSearch: 13 02:07:11 -95.106435 0.001725 LBFGSLineSearch: 14 02:07:12 -95.106435 0.001157 LBFGSLineSearch: 15 02:07:12 -95.106436 0.000716 LBFGSLineSearch: 16 02:07:12 -95.106436 0.000629 LBFGSLineSearch: 17 02:07:13 -95.106436 0.000555 LBFGSLineSearch: 18 02:07:13 -95.106436 0.000299 LBFGSLineSearch: 19 02:07:13 -95.106436 0.000097 LBFGSLineSearch: 20 02:07:14 -95.106436 0.000091 LBFGSLineSearch: 21 02:07:14 -95.106436 0.000011 LBFGSLineSearch: 22 02:07:14 -95.106436 0.000008 Minimization converged after 22 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:21 -95.586546 0.034299 LBFGSLineSearch: 1 02:07:22 -95.586574 0.053823 LBFGSLineSearch: 2 02:07:22 -95.586783 0.138291 LBFGSLineSearch: 3 02:07:23 -95.586931 0.048363 LBFGSLineSearch: 4 02:07:24 -95.586953 0.014100 LBFGSLineSearch: 5 02:07:24 -95.587020 0.021142 LBFGSLineSearch: 6 02:07:25 -95.587038 0.006542 LBFGSLineSearch: 7 02:07:26 -95.587040 0.004099 LBFGSLineSearch: 8 02:07:26 -95.587043 0.008635 LBFGSLineSearch: 9 02:07:27 -95.587050 0.004931 LBFGSLineSearch: 10 02:07:28 -95.587054 0.004544 LBFGSLineSearch: 11 02:07:29 -95.587056 0.003631 LBFGSLineSearch: 12 02:07:29 -95.587058 0.004640 LBFGSLineSearch: 13 02:07:29 -95.587061 0.001842 LBFGSLineSearch: 14 02:07:29 -95.587061 0.001058 LBFGSLineSearch: 15 02:07:30 -95.587062 0.000811 LBFGSLineSearch: 16 02:07:30 -95.587062 0.000617 LBFGSLineSearch: 17 02:07:30 -95.587062 0.000548 LBFGSLineSearch: 18 02:07:31 -95.587062 0.000337 LBFGSLineSearch: 19 02:07:32 -95.587062 0.000212 LBFGSLineSearch: 20 02:07:32 -95.587062 0.000082 LBFGSLineSearch: 21 02:07:33 -95.587062 0.000071 LBFGSLineSearch: 22 02:07:33 -95.587062 0.000016 LBFGSLineSearch: 23 02:07:34 -95.587062 0.000004 Minimization converged after 23 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:41 -96.068208 0.034370 LBFGSLineSearch: 1 02:07:41 -96.068236 0.054357 LBFGSLineSearch: 2 02:07:42 -96.068446 0.140108 LBFGSLineSearch: 3 02:07:42 -96.068598 0.049958 LBFGSLineSearch: 4 02:07:43 -96.068621 0.014109 LBFGSLineSearch: 5 02:07:44 -96.068690 0.021138 LBFGSLineSearch: 6 02:07:44 -96.068710 0.006754 LBFGSLineSearch: 7 02:07:45 -96.068712 0.004160 LBFGSLineSearch: 8 02:07:45 -96.068714 0.009676 LBFGSLineSearch: 9 02:07:46 -96.068723 0.004831 LBFGSLineSearch: 10 02:07:47 -96.068726 0.004520 LBFGSLineSearch: 11 02:07:47 -96.068728 0.003645 LBFGSLineSearch: 12 02:07:47 -96.068730 0.004413 LBFGSLineSearch: 13 02:07:48 -96.068733 0.001770 LBFGSLineSearch: 14 02:07:48 -96.068734 0.001375 LBFGSLineSearch: 15 02:07:49 -96.068734 0.000761 LBFGSLineSearch: 16 02:07:49 -96.068734 0.000639 LBFGSLineSearch: 17 02:07:49 -96.068734 0.000549 LBFGSLineSearch: 18 02:07:50 -96.068734 0.000341 LBFGSLineSearch: 19 02:07:50 -96.068734 0.000065 LBFGSLineSearch: 20 02:07:50 -96.068734 0.000028 LBFGSLineSearch: 21 02:07:51 -96.068734 0.000022 LBFGSLineSearch: 22 02:07:51 -96.068734 0.000004 Minimization converged after 22 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:58 -96.550939 0.034447 LBFGSLineSearch: 1 02:07:58 -96.550968 0.054877 LBFGSLineSearch: 2 02:07:59 -96.551179 0.133849 LBFGSLineSearch: 3 02:07:59 -96.551334 0.055052 LBFGSLineSearch: 4 02:07:59 -96.551361 0.013904 LBFGSLineSearch: 5 02:08:01 -96.551433 0.019062 LBFGSLineSearch: 6 02:08:02 -96.551455 0.006886 LBFGSLineSearch: 7 02:08:03 -96.551457 0.006704 LBFGSLineSearch: 8 02:08:03 -96.551464 0.005793 LBFGSLineSearch: 9 02:08:04 -96.551471 0.008895 LBFGSLineSearch: 10 02:08:05 -96.551475 0.004382 LBFGSLineSearch: 11 02:08:05 -96.551482 0.002459 LBFGSLineSearch: 12 02:08:05 -96.551482 0.002207 LBFGSLineSearch: 13 02:08:06 -96.551483 0.001061 LBFGSLineSearch: 14 02:08:06 -96.551483 0.000728 LBFGSLineSearch: 15 02:08:07 -96.551483 0.000787 LBFGSLineSearch: 16 02:08:08 -96.551483 0.000394 LBFGSLineSearch: 17 02:08:09 -96.551483 0.000306 LBFGSLineSearch: 18 02:08:09 -96.551483 0.000015 LBFGSLineSearch: 19 02:08:10 -96.551483 0.000053 LBFGSLineSearch: 20 02:08:10 -96.551483 0.000005 Minimization converged after 20 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:17 -97.034783 0.034525 LBFGSLineSearch: 1 02:08:17 -97.034811 0.055402 LBFGSLineSearch: 2 02:08:18 -97.035029 0.118018 LBFGSLineSearch: 3 02:08:18 -97.035186 0.054066 LBFGSLineSearch: 4 02:08:19 -97.035214 0.013915 LBFGSLineSearch: 5 02:08:19 -97.035281 0.033399 LBFGSLineSearch: 6 02:08:19 -97.035309 0.019319 LBFGSLineSearch: 7 02:08:20 -97.035315 0.005001 LBFGSLineSearch: 8 02:08:20 -97.035319 0.011734 LBFGSLineSearch: 9 02:08:21 -97.035329 0.013390 LBFGSLineSearch: 10 02:08:22 -97.035335 0.010867 LBFGSLineSearch: 11 02:08:22 -97.035338 0.008118 LBFGSLineSearch: 12 02:08:24 -97.035345 0.003355 LBFGSLineSearch: 13 02:08:26 -97.035345 0.001170 LBFGSLineSearch: 14 02:08:27 -97.035346 0.002207 LBFGSLineSearch: 15 02:08:27 -97.035346 0.000719 LBFGSLineSearch: 16 02:08:28 -97.035347 0.001068 LBFGSLineSearch: 17 02:08:28 -97.035347 0.000618 LBFGSLineSearch: 18 02:08:28 -97.035347 0.000394 LBFGSLineSearch: 19 02:08:29 -97.035347 0.000983 LBFGSLineSearch: 20 02:08:30 -97.035347 0.000040 LBFGSLineSearch: 21 02:08:31 -97.035347 0.000012 LBFGSLineSearch: 22 02:08:31 -97.035347 0.000007 Minimization converged after 22 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:37 -97.519781 0.034608 LBFGSLineSearch: 1 02:08:37 -97.519810 0.055911 LBFGSLineSearch: 2 02:08:38 -97.520040 0.103088 LBFGSLineSearch: 3 02:08:39 -97.520193 0.046111 LBFGSLineSearch: 4 02:08:39 -97.520223 0.018798 LBFGSLineSearch: 5 02:08:40 -97.520266 0.034640 LBFGSLineSearch: 6 02:08:40 -97.520316 0.036713 LBFGSLineSearch: 7 02:08:40 -97.520329 0.007375 LBFGSLineSearch: 8 02:08:41 -97.520333 0.011233 LBFGSLineSearch: 9 02:08:42 -97.520343 0.013229 LBFGSLineSearch: 10 02:08:42 -97.520352 0.008952 LBFGSLineSearch: 11 02:08:43 -97.520356 0.006725 LBFGSLineSearch: 12 02:08:43 -97.520364 0.008625 LBFGSLineSearch: 13 02:08:44 -97.520366 0.002293 LBFGSLineSearch: 14 02:08:45 -97.520367 0.002914 LBFGSLineSearch: 15 02:08:45 -97.520368 0.000972 LBFGSLineSearch: 16 02:08:46 -97.520368 0.001058 LBFGSLineSearch: 17 02:08:46 -97.520368 0.000413 LBFGSLineSearch: 18 02:08:47 -97.520368 0.000478 LBFGSLineSearch: 19 02:08:47 -97.520368 0.000189 LBFGSLineSearch: 20 02:08:48 -97.520368 0.000035 LBFGSLineSearch: 21 02:08:48 -97.520368 0.000008 Minimization converged after 21 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:55 -98.005985 0.034693 LBFGSLineSearch: 1 02:08:55 -98.006013 0.056459 LBFGSLineSearch: 2 02:08:55 -98.006261 0.089560 LBFGSLineSearch: 3 02:08:56 -98.006406 0.039249 LBFGSLineSearch: 4 02:08:56 -98.006437 0.027114 LBFGSLineSearch: 5 02:08:57 -98.006465 0.019298 LBFGSLineSearch: 6 02:08:57 -98.006502 0.019199 LBFGSLineSearch: 7 02:08:57 -98.006541 0.025925 LBFGSLineSearch: 8 02:08:58 -98.006552 0.010952 LBFGSLineSearch: 9 02:08:58 -98.006556 0.005506 LBFGSLineSearch: 10 02:08:58 -98.006561 0.019914 LBFGSLineSearch: 11 02:08:59 -98.006577 0.006198 LBFGSLineSearch: 12 02:09:00 -98.006582 0.005453 LBFGSLineSearch: 13 02:09:00 -98.006586 0.006235 LBFGSLineSearch: 14 02:09:01 -98.006594 0.010924 LBFGSLineSearch: 15 02:09:03 -98.006597 0.001532 LBFGSLineSearch: 16 02:09:03 -98.006597 0.002530 LBFGSLineSearch: 17 02:09:03 -98.006598 0.001699 LBFGSLineSearch: 18 02:09:04 -98.006598 0.001596 LBFGSLineSearch: 19 02:09:04 -98.006598 0.000788 LBFGSLineSearch: 20 02:09:05 -98.006598 0.000449 LBFGSLineSearch: 21 02:09:05 -98.006598 0.000432 LBFGSLineSearch: 22 02:09:06 -98.006598 0.000707 LBFGSLineSearch: 23 02:09:07 -98.006598 0.000055 LBFGSLineSearch: 24 02:09:07 -98.006598 0.000047 LBFGSLineSearch: 25 02:09:08 -98.006598 0.000006 Minimization converged after 25 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:15 -98.493452 0.034780 LBFGSLineSearch: 1 02:09:15 -98.493481 0.055394 LBFGSLineSearch: 2 02:09:15 -98.493731 0.099617 LBFGSLineSearch: 3 02:09:15 -98.493899 0.028431 LBFGSLineSearch: 4 02:09:16 -98.493928 0.018466 LBFGSLineSearch: 5 02:09:16 -98.493968 0.027559 LBFGSLineSearch: 6 02:09:16 -98.494011 0.050269 LBFGSLineSearch: 7 02:09:17 -98.494034 0.030142 LBFGSLineSearch: 8 02:09:17 -98.494042 0.006230 LBFGSLineSearch: 9 02:09:17 -98.494046 0.008429 LBFGSLineSearch: 10 02:09:18 -98.494051 0.015163 LBFGSLineSearch: 11 02:09:18 -98.494062 0.027528 LBFGSLineSearch: 12 02:09:18 -98.494077 0.009502 LBFGSLineSearch: 13 02:09:18 -98.494082 0.012793 LBFGSLineSearch: 14 02:09:19 -98.494092 0.011696 LBFGSLineSearch: 15 02:09:19 -98.494096 0.001940 LBFGSLineSearch: 16 02:09:19 -98.494096 0.003492 LBFGSLineSearch: 17 02:09:20 -98.494097 0.000856 LBFGSLineSearch: 18 02:09:20 -98.494097 0.002285 LBFGSLineSearch: 19 02:09:21 -98.494097 0.002145 LBFGSLineSearch: 20 02:09:21 -98.494098 0.000561 LBFGSLineSearch: 21 02:09:21 -98.494098 0.001500 LBFGSLineSearch: 22 02:09:21 -98.494098 0.000448 LBFGSLineSearch: 23 02:09:22 -98.494098 0.000076 LBFGSLineSearch: 24 02:09:23 -98.494098 0.000071 LBFGSLineSearch: 25 02:09:23 -98.494098 0.000017 LBFGSLineSearch: 26 02:09:24 -98.494098 0.000008 Minimization converged after 26 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:30 -98.982255 0.034874 LBFGSLineSearch: 1 02:09:30 -98.982287 0.051184 LBFGSLineSearch: 2 02:09:31 -98.982569 0.135886 LBFGSLineSearch: 3 02:09:32 -98.982755 0.024415 LBFGSLineSearch: 4 02:09:34 -98.982795 0.028200 LBFGSLineSearch: 5 02:09:35 -98.982874 0.023937 LBFGSLineSearch: 6 02:09:35 -98.982886 0.014941 LBFGSLineSearch: 7 02:09:35 -98.982902 0.014389 LBFGSLineSearch: 8 02:09:36 -98.982910 0.010614 LBFGSLineSearch: 9 02:09:36 -98.982915 0.006296 LBFGSLineSearch: 10 02:09:37 -98.982947 0.005873 LBFGSLineSearch: 11 02:09:37 -98.982952 0.013029 LBFGSLineSearch: 12 02:09:37 -98.982956 0.001281 LBFGSLineSearch: 13 02:09:38 -98.982957 0.001523 LBFGSLineSearch: 14 02:09:38 -98.982957 0.000941 LBFGSLineSearch: 15 02:09:38 -98.982958 0.000967 LBFGSLineSearch: 16 02:09:39 -98.982958 0.000981 LBFGSLineSearch: 17 02:09:39 -98.982958 0.000743 LBFGSLineSearch: 18 02:09:40 -98.982958 0.001020 LBFGSLineSearch: 19 02:09:40 -98.982960 0.000930 LBFGSLineSearch: 20 02:09:41 -98.982961 0.000933 LBFGSLineSearch: 21 02:09:41 -98.982961 0.001046 LBFGSLineSearch: 22 02:09:42 -98.982964 0.001047 LBFGSLineSearch: 23 02:09:42 -98.982964 0.001193 LBFGSLineSearch: 24 02:09:44 -98.982965 0.001029 LBFGSLineSearch: 25 02:09:44 -98.982965 0.000451 LBFGSLineSearch: 26 02:09:44 -98.982965 0.000143 LBFGSLineSearch: 27 02:09:44 -98.982965 0.000131 LBFGSLineSearch: 28 02:09:45 -98.982965 0.000050 LBFGSLineSearch: 29 02:09:45 -98.982965 0.000014 LBFGSLineSearch: 30 02:09:45 -98.982965 0.000000 Minimization converged after 30 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:52 -99.472736 0.034984 LBFGSLineSearch: 1 02:09:52 -99.472785 0.099628 LBFGSLineSearch: 2 02:09:53 -99.473382 0.047849 LBFGSLineSearch: 3 02:09:53 -99.473464 0.021322 LBFGSLineSearch: 4 02:09:54 -99.473543 0.032613 LBFGSLineSearch: 5 02:09:54 -99.473704 0.013453 LBFGSLineSearch: 6 02:09:54 -99.473761 0.013921 LBFGSLineSearch: 7 02:09:55 -99.473780 0.009892 LBFGSLineSearch: 8 02:09:55 -99.473799 0.014424 LBFGSLineSearch: 9 02:09:55 -99.473915 0.005407 LBFGSLineSearch: 10 02:09:56 -99.473925 0.011563 LBFGSLineSearch: 11 02:09:56 -99.473942 0.009044 LBFGSLineSearch: 12 02:09:56 -99.473944 0.002855 LBFGSLineSearch: 13 02:09:56 -99.473945 0.004712 LBFGSLineSearch: 14 02:09:57 -99.473948 0.002047 LBFGSLineSearch: 15 02:09:57 -99.473949 0.002150 LBFGSLineSearch: 16 02:09:57 -99.473950 0.003624 LBFGSLineSearch: 17 02:09:57 -99.473955 0.002777 LBFGSLineSearch: 18 02:09:58 -99.473957 0.003604 LBFGSLineSearch: 19 02:09:59 -99.473962 0.005734 LBFGSLineSearch: 20 02:09:59 -99.473974 0.002723 LBFGSLineSearch: 21 02:09:59 -99.473983 0.004246 LBFGSLineSearch: 22 02:09:59 -99.473988 0.003977 LBFGSLineSearch: 23 02:10:00 -99.473990 0.003805 LBFGSLineSearch: 24 02:10:00 -99.473993 0.004497 LBFGSLineSearch: 25 02:10:00 -99.474003 0.004061 LBFGSLineSearch: 26 02:10:00 -99.474006 0.004309 LBFGSLineSearch: 27 02:10:01 -99.474230 0.009591 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 27 steps. Final forces: [[ 5.81653754e-03 -6.46372077e-03 -4.06086772e-03] [-5.81653754e-03 -6.46372077e-03 4.06086772e-03] [-5.81653754e-03 6.46372077e-03 4.06086772e-03] [ 5.81653754e-03 6.46372077e-03 -4.06086772e-03] [-9.95677887e-21 2.23468117e-03 1.90696148e-20] [ 4.43637648e-19 -2.23468117e-03 -2.58458784e-20] [ 4.38851510e-04 -2.51199376e-03 1.69860972e-03] [-4.38851510e-04 -2.51199376e-03 -1.69860972e-03] [-4.38851510e-04 2.51199376e-03 -1.69860972e-03] [ 4.38851510e-04 2.51199376e-03 1.69860972e-03] [ 2.05483831e-03 1.67908905e-03 -2.01969902e-03] [-2.05483831e-03 1.67908905e-03 2.01969902e-03] [-2.05483831e-03 -1.67908905e-03 2.01969902e-03] [ 2.05483831e-03 -1.67908905e-03 -2.01969902e-03]] Final stress: [ 1.81084628e-01 1.81212055e-01 1.81555965e-01 -3.66031800e-17 -2.95786433e-04 1.03741964e-16] Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:07 -99.966896 0.034441 LBFGSLineSearch: 1 02:10:08 -99.967073 0.089535 LBFGSLineSearch: 2 02:10:08 -99.967259 0.101649 LBFGSLineSearch: 3 02:10:09 -99.967625 0.027104 LBFGSLineSearch: 4 02:10:09 -99.967722 0.051952 LBFGSLineSearch: 5 02:10:09 -99.967871 0.016429 LBFGSLineSearch: 6 02:10:10 -99.967976 0.035936 LBFGSLineSearch: 7 02:10:10 -99.968027 0.018055 LBFGSLineSearch: 8 02:10:10 -99.968048 0.026866 LBFGSLineSearch: 9 02:10:11 -99.968203 0.025032 LBFGSLineSearch: 10 02:10:13 -99.968231 0.019035 LBFGSLineSearch: 11 02:10:14 -99.968272 0.007522 LBFGSLineSearch: 12 02:10:16 -99.968296 0.028196 LBFGSLineSearch: 13 02:10:17 -99.968332 0.007422 LBFGSLineSearch: 14 02:10:18 -99.968441 0.015578 LBFGSLineSearch: 15 02:10:18 -99.968601 0.022461 LBFGSLineSearch: 16 02:10:18 -99.969054 0.073027 LBFGSLineSearch: 17 02:10:19 -99.976162 0.420634 LBFGSLineSearch: 18 02:10:19 -99.976461 0.660158 LBFGSLineSearch: 19 02:10:19 -99.986255 0.882808 LBFGSLineSearch: 20 02:10:20 -99.986444 0.878034 LBFGSLineSearch: 21 02:10:20 -100.004162 0.462286 LBFGSLineSearch: 22 02:10:20 -100.009010 0.305316 LBFGSLineSearch: 23 02:10:21 -100.017356 0.329703 LBFGSLineSearch: 24 02:10:21 -100.027334 1.325186 LBFGSLineSearch: 25 02:10:21 -100.194766 1.214932 LBFGSLineSearch: 26 02:10:22 -100.242905 0.552924 LBFGSLineSearch: 27 02:10:22 -100.673184 0.589085 LBFGSLineSearch: 28 02:10:23 -101.024497 1.422458 LBFGSLineSearch: 29 02:10:23 -101.812145 2.120592 LBFGSLineSearch: 30 02:10:24 -101.813184 2.480745 LBFGSLineSearch: 31 02:10:25 -102.141415 2.043866 LBFGSLineSearch: 32 02:10:25 -102.275829 0.870203 LBFGSLineSearch: 33 02:10:26 -102.394729 0.646224 LBFGSLineSearch: 34 02:10:27 -102.486023 1.325604 LBFGSLineSearch: 35 02:10:27 -102.594355 1.395680 LBFGSLineSearch: 36 02:10:28 -102.654471 0.683885 LBFGSLineSearch: 37 02:10:28 -102.746388 0.602700 LBFGSLineSearch: 38 02:10:29 -102.830840 0.573279 LBFGSLineSearch: 39 02:10:29 -102.885063 0.441267 LBFGSLineSearch: 40 02:10:31 -102.895312 0.441976 LBFGSLineSearch: 41 02:10:31 -102.907376 0.417880 LBFGSLineSearch: 42 02:10:32 -102.918737 0.307889 LBFGSLineSearch: 43 02:10:33 -102.927672 0.319448 LBFGSLineSearch: 44 02:10:33 -102.936621 0.236057 LBFGSLineSearch: 45 02:10:34 -102.943286 0.398704 LBFGSLineSearch: 46 02:10:34 -102.946092 0.280214 LBFGSLineSearch: 47 02:10:35 -102.960815 0.760699 LBFGSLineSearch: 48 02:10:36 -102.974124 0.425055 LBFGSLineSearch: 49 02:10:36 -103.010945 1.832520 LBFGSLineSearch: 50 02:10:37 -103.017785 1.572322 LBFGSLineSearch: 51 02:10:37 -103.046431 0.367012 LBFGSLineSearch: 52 02:10:37 -103.062087 0.638798 LBFGSLineSearch: 53 02:10:38 -103.087291 0.369134 LBFGSLineSearch: 54 02:10:39 -103.091119 0.378337 LBFGSLineSearch: 55 02:10:39 -103.094874 0.172019 LBFGSLineSearch: 56 02:10:39 -103.096212 0.172222 LBFGSLineSearch: 57 02:10:39 -103.097155 0.194031 LBFGSLineSearch: 58 02:10:39 -103.097554 0.207767 LBFGSLineSearch: 59 02:10:40 -103.098407 0.151435 LBFGSLineSearch: 60 02:10:40 -103.099365 0.245420 LBFGSLineSearch: 61 02:10:40 -103.100271 0.246114 LBFGSLineSearch: 62 02:10:40 -103.101827 0.186788 LBFGSLineSearch: 63 02:10:41 -103.108579 0.222062 LBFGSLineSearch: 64 02:10:41 -103.110576 0.204621 LBFGSLineSearch: 65 02:10:41 -103.111779 0.197502 LBFGSLineSearch: 66 02:10:42 -103.113280 0.225282 LBFGSLineSearch: 67 02:10:42 -103.115532 0.211864 LBFGSLineSearch: 68 02:10:43 -103.116744 0.430332 LBFGSLineSearch: 69 02:10:43 -103.118071 0.231513 LBFGSLineSearch: 70 02:10:44 -103.121351 0.522608 LBFGSLineSearch: 71 02:10:52 -103.227943 1.505969 LBFGSLineSearch: 72 02:10:54 -103.229017 1.512669 LBFGSLineSearch: 73 02:10:56 -103.276985 0.818519 LBFGSLineSearch: 74 02:10:56 -103.307442 1.097447 LBFGSLineSearch: 75 02:10:57 -103.349511 1.248990 LBFGSLineSearch: 76 02:10:57 -103.362156 1.425501 LBFGSLineSearch: 77 02:10:58 -103.402276 1.744498 LBFGSLineSearch: 78 02:10:58 -103.444055 1.526468 LBFGSLineSearch: 79 02:10:58 -103.476350 1.617925 LBFGSLineSearch: 80 02:10:59 -103.502771 1.283928 LBFGSLineSearch: 81 02:10:59 -103.564862 1.920141 LBFGSLineSearch: 82 02:11:00 -103.747580 2.403726 LBFGSLineSearch: 83 02:11:00 -104.063622 3.159175 LBFGSLineSearch: 84 02:11:00 -104.424378 1.855269 LBFGSLineSearch: 85 02:11:01 -104.732021 1.339416 LBFGSLineSearch: 86 02:11:01 -104.792706 1.251330 LBFGSLineSearch: 87 02:11:01 -104.890376 1.258436 LBFGSLineSearch: 88 02:11:02 -104.982525 1.331793 LBFGSLineSearch: 89 02:11:02 -105.092612 1.224274 LBFGSLineSearch: 90 02:11:02 -105.133795 1.398936 LBFGSLineSearch: 91 02:11:02 -105.183988 1.152059 LBFGSLineSearch: 92 02:11:03 -105.270584 2.272309 LBFGSLineSearch: 93 02:11:04 -105.443088 4.299790 LBFGSLineSearch: 94 02:11:04 -105.567258 3.745964 LBFGSLineSearch: 95 02:11:04 -105.699521 1.237863 LBFGSLineSearch: 96 02:11:05 -105.718962 0.974353 LBFGSLineSearch: 97 02:11:05 -105.766822 1.125718 LBFGSLineSearch: 98 02:11:06 -105.785843 1.059378 LBFGSLineSearch: 99 02:11:06 -105.793686 1.005966 LBFGSLineSearch: 100 02:11:07 -105.815235 0.835227 LBFGSLineSearch: 101 02:11:07 -105.844533 0.751517 LBFGSLineSearch: 102 02:11:08 -105.848299 0.923821 LBFGSLineSearch: 103 02:11:08 -105.861615 0.938872 LBFGSLineSearch: 104 02:11:09 -105.894365 0.840249 LBFGSLineSearch: 105 02:11:10 -105.988824 1.521885 LBFGSLineSearch: 106 02:11:11 -106.039872 0.865786 LBFGSLineSearch: 107 02:11:12 -107.010461 1.418562 LBFGSLineSearch: 108 02:11:13 -107.010765 1.498178 LBFGSLineSearch: 109 02:11:13 -107.052312 1.096131 LBFGSLineSearch: 110 02:11:14 -107.078023 1.070774 LBFGSLineSearch: 111 02:11:14 -107.093976 0.502335 LBFGSLineSearch: 112 02:11:15 -107.105271 0.563194 LBFGSLineSearch: 113 02:11:15 -107.124329 1.026677 LBFGSLineSearch: 114 02:11:16 -107.144019 0.628185 LBFGSLineSearch: 115 02:11:17 -107.152027 0.576248 LBFGSLineSearch: 116 02:11:17 -107.161516 0.640656 LBFGSLineSearch: 117 02:11:18 -107.166499 1.218466 LBFGSLineSearch: 118 02:11:18 -107.171554 0.684399 LBFGSLineSearch: 119 02:11:18 -107.176965 0.688786 LBFGSLineSearch: 120 02:11:19 -107.189578 0.917316 LBFGSLineSearch: 121 02:11:19 -107.214971 1.163583 LBFGSLineSearch: 122 02:11:19 -107.241498 1.082422 LBFGSLineSearch: 123 02:11:20 -107.294968 0.955490 LBFGSLineSearch: 124 02:11:20 -107.304061 0.842031 LBFGSLineSearch: 125 02:11:21 -107.311446 0.926387 LBFGSLineSearch: 126 02:11:21 -107.323495 0.296966 LBFGSLineSearch: 127 02:11:22 -107.327873 0.361241 LBFGSLineSearch: 128 02:11:23 -107.329542 0.478943 LBFGSLineSearch: 129 02:11:23 -107.331693 0.516297 LBFGSLineSearch: 130 02:11:25 -107.333813 0.737015 LBFGSLineSearch: 131 02:11:27 -107.334799 0.585270 LBFGSLineSearch: 132 02:11:27 -107.337143 0.538384 LBFGSLineSearch: 133 02:11:28 -107.339137 0.276123 LBFGSLineSearch: 134 02:11:28 -107.343463 1.033141 LBFGSLineSearch: 135 02:11:28 -107.586402 5.994448 LBFGSLineSearch: 136 02:11:29 -107.601145 7.163726 LBFGSLineSearch: 137 02:11:29 -107.961611 6.283138 LBFGSLineSearch: 138 02:11:30 -110.780002 7.517992 LBFGSLineSearch: 139 02:11:31 -111.632183 4.400900 LBFGSLineSearch: 140 02:11:31 -111.831103 1.989922 LBFGSLineSearch: 141 02:11:32 -112.079081 2.235817 LBFGSLineSearch: 142 02:11:32 -112.199512 3.797637 LBFGSLineSearch: 143 02:11:32 -112.460603 5.026704 LBFGSLineSearch: 144 02:11:33 -112.580194 5.540305 LBFGSLineSearch: 145 02:11:33 -112.852613 2.237586 LBFGSLineSearch: 146 02:11:34 -112.900463 1.934024 LBFGSLineSearch: 147 02:11:34 -112.973178 0.995126 LBFGSLineSearch: 148 02:11:35 -113.005680 1.784310 LBFGSLineSearch: 149 02:11:35 -113.034799 1.777875 LBFGSLineSearch: 150 02:11:36 -113.091209 2.068292 LBFGSLineSearch: 151 02:11:36 -113.177851 1.908906 LBFGSLineSearch: 152 02:11:37 -113.234350 1.125493 LBFGSLineSearch: 153 02:11:37 -113.274490 1.396476 LBFGSLineSearch: 154 02:11:38 -113.336466 1.114142 LBFGSLineSearch: 155 02:11:38 -113.376838 1.169923 LBFGSLineSearch: 156 02:11:39 -113.400328 1.019262 LBFGSLineSearch: 157 02:11:40 -113.430538 1.982038 LBFGSLineSearch: 158 02:11:40 -113.510778 1.115185 LBFGSLineSearch: 159 02:11:41 -113.564737 1.081369 LBFGSLineSearch: 160 02:11:42 -113.581184 1.126384 LBFGSLineSearch: 161 02:11:42 -113.588151 0.937112 LBFGSLineSearch: 162 02:11:43 -113.601208 1.013355 LBFGSLineSearch: 163 02:11:44 -113.627606 0.842476 LBFGSLineSearch: 164 02:11:44 -113.704944 3.018195 LBFGSLineSearch: 165 02:11:45 -113.744206 1.191036 LBFGSLineSearch: 166 02:11:46 -113.823731 0.675874 LBFGSLineSearch: 167 02:11:47 -113.830371 0.679668 LBFGSLineSearch: 168 02:11:47 -113.841174 0.687705 LBFGSLineSearch: 169 02:11:48 -113.848964 0.687624 LBFGSLineSearch: 170 02:11:49 -113.860969 0.867334 LBFGSLineSearch: 171 02:11:49 -113.872462 0.621108 LBFGSLineSearch: 172 02:11:49 -113.883170 0.477919 LBFGSLineSearch: 173 02:11:49 -113.895729 0.476659 LBFGSLineSearch: 174 02:11:50 -113.916204 0.451831 LBFGSLineSearch: 175 02:11:50 -113.928483 0.455467 LBFGSLineSearch: 176 02:11:51 -113.931140 0.179605 LBFGSLineSearch: 177 02:11:51 -113.931558 0.173707 LBFGSLineSearch: 178 02:11:51 -113.931709 0.168188 LBFGSLineSearch: 179 02:11:51 -113.932427 0.150333 LBFGSLineSearch: 180 02:11:52 -113.936357 0.171057 LBFGSLineSearch: 181 02:11:53 -113.938669 0.123675 LBFGSLineSearch: 182 02:11:53 -113.939746 0.072278 LBFGSLineSearch: 183 02:11:53 -113.940004 0.039112 LBFGSLineSearch: 184 02:11:54 -113.940048 0.027671 LBFGSLineSearch: 185 02:11:55 -113.940087 0.022170 LBFGSLineSearch: 186 02:11:55 -113.940291 0.039785 LBFGSLineSearch: 187 02:11:56 -113.940468 0.027819 LBFGSLineSearch: 188 02:11:57 -113.940533 0.010013 LBFGSLineSearch: 189 02:11:57 -113.940540 0.002603 LBFGSLineSearch: 190 02:11:57 -113.940540 0.000437 LBFGSLineSearch: 191 02:11:58 -113.940540 0.000150 LBFGSLineSearch: 192 02:11:59 -113.940540 0.000029 LBFGSLineSearch: 193 02:11:59 -113.940540 0.000001 Minimization converged after 193 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:06 -114.769014 0.059177 LBFGSLineSearch: 1 02:12:07 -114.769203 0.067245 LBFGSLineSearch: 2 02:12:07 -114.769525 0.045540 LBFGSLineSearch: 3 02:12:07 -114.769685 0.044890 LBFGSLineSearch: 4 02:12:08 -114.769736 0.021328 LBFGSLineSearch: 5 02:12:08 -114.769764 0.014453 LBFGSLineSearch: 6 02:12:09 -114.769789 0.014663 LBFGSLineSearch: 7 02:12:09 -114.769800 0.007833 LBFGSLineSearch: 8 02:12:09 -114.769804 0.006552 LBFGSLineSearch: 9 02:12:10 -114.769808 0.005222 LBFGSLineSearch: 10 02:12:10 -114.769813 0.002423 LBFGSLineSearch: 11 02:12:11 -114.769814 0.003759 LBFGSLineSearch: 12 02:12:12 -114.769816 0.002912 LBFGSLineSearch: 13 02:12:12 -114.769821 0.004271 LBFGSLineSearch: 14 02:12:13 -114.769823 0.002629 LBFGSLineSearch: 15 02:12:13 -114.769824 0.001359 LBFGSLineSearch: 16 02:12:13 -114.769825 0.001354 LBFGSLineSearch: 17 02:12:14 -114.769825 0.000824 LBFGSLineSearch: 18 02:12:14 -114.769825 0.000568 LBFGSLineSearch: 19 02:12:15 -114.769825 0.000210 LBFGSLineSearch: 20 02:12:15 -114.769825 0.000175 LBFGSLineSearch: 21 02:12:16 -114.769825 0.000281 LBFGSLineSearch: 22 02:12:17 -114.769825 0.000009 Minimization converged after 22 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:23 -115.599926 0.059296 LBFGSLineSearch: 1 02:12:24 -115.600112 0.067364 LBFGSLineSearch: 2 02:12:24 -115.600437 0.046225 LBFGSLineSearch: 3 02:12:25 -115.600602 0.046698 LBFGSLineSearch: 4 02:12:26 -115.600656 0.022111 LBFGSLineSearch: 5 02:12:27 -115.600684 0.015431 LBFGSLineSearch: 6 02:12:28 -115.600710 0.015808 LBFGSLineSearch: 7 02:12:28 -115.600723 0.007740 LBFGSLineSearch: 8 02:12:29 -115.600727 0.006745 LBFGSLineSearch: 9 02:12:29 -115.600731 0.005103 LBFGSLineSearch: 10 02:12:30 -115.600736 0.002433 LBFGSLineSearch: 11 02:12:30 -115.600737 0.003917 LBFGSLineSearch: 12 02:12:31 -115.600740 0.002902 LBFGSLineSearch: 13 02:12:31 -115.600744 0.004496 LBFGSLineSearch: 14 02:12:32 -115.600747 0.001595 LBFGSLineSearch: 15 02:12:32 -115.600748 0.001631 LBFGSLineSearch: 16 02:12:33 -115.600748 0.000803 LBFGSLineSearch: 17 02:12:33 -115.600749 0.001033 LBFGSLineSearch: 18 02:12:34 -115.600749 0.000539 LBFGSLineSearch: 19 02:12:34 -115.600749 0.000178 LBFGSLineSearch: 20 02:12:35 -115.600749 0.000134 LBFGSLineSearch: 21 02:12:35 -115.600749 0.000190 LBFGSLineSearch: 22 02:12:36 -115.600749 0.000012 LBFGSLineSearch: 23 02:12:36 -115.600749 0.000000 Minimization converged after 23 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:43 -116.432499 0.059411 LBFGSLineSearch: 1 02:12:43 -116.432683 0.067480 LBFGSLineSearch: 2 02:12:43 -116.433011 0.046914 LBFGSLineSearch: 3 02:12:44 -116.433181 0.048488 LBFGSLineSearch: 4 02:12:44 -116.433237 0.022871 LBFGSLineSearch: 5 02:12:44 -116.433266 0.016416 LBFGSLineSearch: 6 02:12:45 -116.433294 0.016905 LBFGSLineSearch: 7 02:12:46 -116.433309 0.007583 LBFGSLineSearch: 8 02:12:46 -116.433313 0.006905 LBFGSLineSearch: 9 02:12:47 -116.433317 0.005073 LBFGSLineSearch: 10 02:12:48 -116.433322 0.002465 LBFGSLineSearch: 11 02:12:49 -116.433323 0.004066 LBFGSLineSearch: 12 02:12:49 -116.433326 0.002872 LBFGSLineSearch: 13 02:12:50 -116.433330 0.004469 LBFGSLineSearch: 14 02:12:50 -116.433333 0.001669 LBFGSLineSearch: 15 02:12:51 -116.433334 0.001339 LBFGSLineSearch: 16 02:12:52 -116.433334 0.000806 LBFGSLineSearch: 17 02:12:53 -116.433335 0.000953 LBFGSLineSearch: 18 02:12:53 -116.433335 0.000179 LBFGSLineSearch: 19 02:12:54 -116.433335 0.000164 LBFGSLineSearch: 20 02:12:54 -116.433335 0.000118 LBFGSLineSearch: 21 02:12:54 -116.433335 0.000099 LBFGSLineSearch: 22 02:12:55 -116.433335 0.000000 Minimization converged after 22 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:01 -117.266760 0.059530 LBFGSLineSearch: 1 02:13:01 -117.266942 0.067599 LBFGSLineSearch: 2 02:13:01 -117.267273 0.047604 LBFGSLineSearch: 3 02:13:02 -117.267448 0.050250 LBFGSLineSearch: 4 02:13:02 -117.267507 0.023608 LBFGSLineSearch: 5 02:13:02 -117.267536 0.017411 LBFGSLineSearch: 6 02:13:02 -117.267565 0.017936 LBFGSLineSearch: 7 02:13:03 -117.267582 0.007376 LBFGSLineSearch: 8 02:13:03 -117.267587 0.007033 LBFGSLineSearch: 9 02:13:03 -117.267591 0.005080 LBFGSLineSearch: 10 02:13:04 -117.267596 0.002525 LBFGSLineSearch: 11 02:13:04 -117.267597 0.004213 LBFGSLineSearch: 12 02:13:04 -117.267601 0.002851 LBFGSLineSearch: 13 02:13:05 -117.267604 0.004240 LBFGSLineSearch: 14 02:13:05 -117.267607 0.001769 LBFGSLineSearch: 15 02:13:06 -117.267608 0.001263 LBFGSLineSearch: 16 02:13:07 -117.267608 0.000708 LBFGSLineSearch: 17 02:13:07 -117.267609 0.000820 LBFGSLineSearch: 18 02:13:08 -117.267609 0.000167 LBFGSLineSearch: 19 02:13:08 -117.267609 0.000211 LBFGSLineSearch: 20 02:13:09 -117.267609 0.000011 LBFGSLineSearch: 21 02:13:09 -117.267609 0.000000 Minimization converged after 21 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:16 -118.102736 0.059652 LBFGSLineSearch: 1 02:13:17 -118.102915 0.067718 LBFGSLineSearch: 2 02:13:17 -118.103249 0.048296 LBFGSLineSearch: 3 02:13:17 -118.103430 0.051984 LBFGSLineSearch: 4 02:13:18 -118.103491 0.024316 LBFGSLineSearch: 5 02:13:18 -118.103521 0.018992 LBFGSLineSearch: 6 02:13:19 -118.103545 0.012233 LBFGSLineSearch: 7 02:13:19 -118.103570 0.007263 LBFGSLineSearch: 8 02:13:20 -118.103575 0.007035 LBFGSLineSearch: 9 02:13:20 -118.103579 0.004852 LBFGSLineSearch: 10 02:13:21 -118.103585 0.002767 LBFGSLineSearch: 11 02:13:21 -118.103586 0.003473 LBFGSLineSearch: 12 02:13:22 -118.103589 0.003467 LBFGSLineSearch: 13 02:13:22 -118.103591 0.002988 LBFGSLineSearch: 14 02:13:23 -118.103594 0.003664 LBFGSLineSearch: 15 02:13:24 -118.103597 0.001671 LBFGSLineSearch: 16 02:13:25 -118.103597 0.000996 LBFGSLineSearch: 17 02:13:25 -118.103597 0.000621 LBFGSLineSearch: 18 02:13:26 -118.103598 0.000870 LBFGSLineSearch: 19 02:13:26 -118.103598 0.000180 LBFGSLineSearch: 20 02:13:27 -118.103598 0.000128 LBFGSLineSearch: 21 02:13:27 -118.103598 0.000017 LBFGSLineSearch: 22 02:13:28 -118.103598 0.000001 Minimization converged after 22 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:34 -118.940453 0.059775 LBFGSLineSearch: 1 02:13:34 -118.940630 0.067840 LBFGSLineSearch: 2 02:13:35 -118.940967 0.048991 LBFGSLineSearch: 3 02:13:35 -118.941155 0.053684 LBFGSLineSearch: 4 02:13:36 -118.941217 0.024995 LBFGSLineSearch: 5 02:13:37 -118.941248 0.020941 LBFGSLineSearch: 6 02:13:37 -118.941274 0.012617 LBFGSLineSearch: 7 02:13:37 -118.941301 0.008542 LBFGSLineSearch: 8 02:13:37 -118.941307 0.006997 LBFGSLineSearch: 9 02:13:37 -118.941311 0.005170 LBFGSLineSearch: 10 02:13:38 -118.941316 0.002929 LBFGSLineSearch: 11 02:13:38 -118.941317 0.003605 LBFGSLineSearch: 12 02:13:38 -118.941321 0.003518 LBFGSLineSearch: 13 02:13:39 -118.941323 0.002985 LBFGSLineSearch: 14 02:13:39 -118.941326 0.003409 LBFGSLineSearch: 15 02:13:40 -118.941329 0.001677 LBFGSLineSearch: 16 02:13:41 -118.941329 0.001568 LBFGSLineSearch: 17 02:13:41 -118.941329 0.000590 LBFGSLineSearch: 18 02:13:42 -118.941330 0.000599 LBFGSLineSearch: 19 02:13:43 -118.941330 0.001143 LBFGSLineSearch: 20 02:13:44 -118.941330 0.000125 LBFGSLineSearch: 21 02:13:44 -118.941330 0.000108 LBFGSLineSearch: 22 02:13:45 -118.941330 0.000004 Minimization converged after 22 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:51 -119.779943 0.059903 LBFGSLineSearch: 1 02:13:52 -119.780118 0.067948 LBFGSLineSearch: 2 02:13:52 -119.780458 0.049681 LBFGSLineSearch: 3 02:13:53 -119.780652 0.055340 LBFGSLineSearch: 4 02:13:54 -119.780717 0.025636 LBFGSLineSearch: 5 02:13:54 -119.780748 0.022965 LBFGSLineSearch: 6 02:13:54 -119.780776 0.012989 LBFGSLineSearch: 7 02:13:55 -119.780805 0.009813 LBFGSLineSearch: 8 02:13:55 -119.780812 0.006918 LBFGSLineSearch: 9 02:13:55 -119.780816 0.005441 LBFGSLineSearch: 10 02:13:56 -119.780821 0.003121 LBFGSLineSearch: 11 02:13:56 -119.780822 0.003720 LBFGSLineSearch: 12 02:13:57 -119.780827 0.005181 LBFGSLineSearch: 13 02:13:57 -119.780830 0.003054 LBFGSLineSearch: 14 02:13:57 -119.780833 0.002097 LBFGSLineSearch: 15 02:13:58 -119.780834 0.002142 LBFGSLineSearch: 16 02:13:58 -119.780834 0.000664 LBFGSLineSearch: 17 02:13:59 -119.780835 0.000593 LBFGSLineSearch: 18 02:13:59 -119.780835 0.000152 LBFGSLineSearch: 19 02:13:59 -119.780835 0.000176 LBFGSLineSearch: 20 02:14:00 -119.780835 0.000080 LBFGSLineSearch: 21 02:14:00 -119.780835 0.000016 LBFGSLineSearch: 22 02:14:00 -119.780835 0.000000 Minimization converged after 22 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:08 -120.621237 0.060029 LBFGSLineSearch: 1 02:14:08 -120.621409 0.068079 LBFGSLineSearch: 2 02:14:09 -120.621752 0.050378 LBFGSLineSearch: 3 02:14:09 -120.621953 0.056973 LBFGSLineSearch: 4 02:14:10 -120.622020 0.026246 LBFGSLineSearch: 5 02:14:11 -120.622052 0.025074 LBFGSLineSearch: 6 02:14:11 -120.622081 0.013352 LBFGSLineSearch: 7 02:14:12 -120.622113 0.011069 LBFGSLineSearch: 8 02:14:12 -120.622121 0.006794 LBFGSLineSearch: 9 02:14:13 -120.622125 0.005679 LBFGSLineSearch: 10 02:14:13 -120.622130 0.003335 LBFGSLineSearch: 11 02:14:14 -120.622131 0.003828 LBFGSLineSearch: 12 02:14:15 -120.622136 0.005636 LBFGSLineSearch: 13 02:14:15 -120.622139 0.002844 LBFGSLineSearch: 14 02:14:16 -120.622143 0.001932 LBFGSLineSearch: 15 02:14:16 -120.622143 0.001556 LBFGSLineSearch: 16 02:14:16 -120.622144 0.000745 LBFGSLineSearch: 17 02:14:17 -120.622144 0.000687 LBFGSLineSearch: 18 02:14:17 -120.622144 0.000159 LBFGSLineSearch: 19 02:14:17 -120.622144 0.000116 LBFGSLineSearch: 20 02:14:18 -120.622144 0.000055 LBFGSLineSearch: 21 02:14:18 -120.622144 0.000021 LBFGSLineSearch: 22 02:14:19 -120.622144 0.000000 Minimization converged after 22 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:26 -121.464367 0.060159 LBFGSLineSearch: 1 02:14:26 -121.464537 0.068200 LBFGSLineSearch: 2 02:14:26 -121.464884 0.051073 LBFGSLineSearch: 3 02:14:27 -121.465092 0.058555 LBFGSLineSearch: 4 02:14:27 -121.465161 0.026811 LBFGSLineSearch: 5 02:14:27 -121.465193 0.027234 LBFGSLineSearch: 6 02:14:28 -121.465225 0.013702 LBFGSLineSearch: 7 02:14:28 -121.465258 0.012294 LBFGSLineSearch: 8 02:14:29 -121.465267 0.006629 LBFGSLineSearch: 9 02:14:29 -121.465271 0.005886 LBFGSLineSearch: 10 02:14:30 -121.465277 0.003559 LBFGSLineSearch: 11 02:14:31 -121.465278 0.003955 LBFGSLineSearch: 12 02:14:31 -121.465283 0.006129 LBFGSLineSearch: 13 02:14:32 -121.465287 0.002759 LBFGSLineSearch: 14 02:14:32 -121.465290 0.001825 LBFGSLineSearch: 15 02:14:33 -121.465290 0.001482 LBFGSLineSearch: 16 02:14:33 -121.465291 0.001246 LBFGSLineSearch: 17 02:14:34 -121.465291 0.000831 LBFGSLineSearch: 18 02:14:34 -121.465291 0.000563 LBFGSLineSearch: 19 02:14:35 -121.465291 0.000481 LBFGSLineSearch: 20 02:14:35 -121.465291 0.000488 LBFGSLineSearch: 21 02:14:35 -121.465291 0.000332 LBFGSLineSearch: 22 02:14:36 -121.465291 0.000135 LBFGSLineSearch: 23 02:14:37 -121.465291 0.000082 LBFGSLineSearch: 24 02:14:37 -121.465291 0.000064 LBFGSLineSearch: 25 02:14:38 -121.465291 0.000003 Minimization converged after 25 steps. Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:45 -122.309369 0.060293 LBFGSLineSearch: 1 02:14:46 -122.309538 0.068319 LBFGSLineSearch: 2 02:14:46 -122.309887 0.051768 LBFGSLineSearch: 3 02:14:47 -122.310103 0.060082 LBFGSLineSearch: 4 02:14:47 -122.310175 0.027331 LBFGSLineSearch: 5 02:14:48 -122.310206 0.029440 LBFGSLineSearch: 6 02:14:48 -122.310240 0.014041 LBFGSLineSearch: 7 02:14:48 -122.310276 0.013494 LBFGSLineSearch: 8 02:14:49 -122.310287 0.006422 LBFGSLineSearch: 9 02:14:49 -122.310290 0.006203 LBFGSLineSearch: 10 02:14:50 -122.310293 0.008198 LBFGSLineSearch: 11 02:14:51 -122.310297 0.003608 LBFGSLineSearch: 12 02:14:52 -122.310303 0.006267 LBFGSLineSearch: 13 02:14:52 -122.310307 0.002657 LBFGSLineSearch: 14 02:14:53 -122.310309 0.004329 LBFGSLineSearch: 15 02:14:53 -122.310310 0.001803 LBFGSLineSearch: 16 02:14:54 -122.310311 0.001123 LBFGSLineSearch: 17 02:14:54 -122.310311 0.001109 LBFGSLineSearch: 18 02:14:55 -122.310311 0.000557 LBFGSLineSearch: 19 02:14:55 -122.310311 0.000102 LBFGSLineSearch: 20 02:14:56 -122.310311 0.000078 LBFGSLineSearch: 21 02:14:56 -122.310311 0.000063 LBFGSLineSearch: 22 02:14:57 -122.310311 0.000002 Minimization converged after 22 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:03 -123.156280 0.060426 LBFGSLineSearch: 1 02:15:04 -123.156447 0.068445 LBFGSLineSearch: 2 02:15:05 -123.156799 0.052465 LBFGSLineSearch: 3 02:15:05 -123.157023 0.061580 LBFGSLineSearch: 4 02:15:05 -123.157097 0.027806 LBFGSLineSearch: 5 02:15:06 -123.157129 0.031683 LBFGSLineSearch: 6 02:15:06 -123.157166 0.014452 LBFGSLineSearch: 7 02:15:07 -123.157203 0.014680 LBFGSLineSearch: 8 02:15:07 -123.157216 0.007138 LBFGSLineSearch: 9 02:15:08 -123.157219 0.006172 LBFGSLineSearch: 10 02:15:09 -123.157222 0.008639 LBFGSLineSearch: 11 02:15:09 -123.157226 0.003804 LBFGSLineSearch: 12 02:15:10 -123.157233 0.006758 LBFGSLineSearch: 13 02:15:11 -123.157236 0.002516 LBFGSLineSearch: 14 02:15:11 -123.157238 0.002586 LBFGSLineSearch: 15 02:15:12 -123.157239 0.003418 LBFGSLineSearch: 16 02:15:12 -123.157241 0.000982 LBFGSLineSearch: 17 02:15:12 -123.157241 0.000469 LBFGSLineSearch: 18 02:15:13 -123.157241 0.000447 LBFGSLineSearch: 19 02:15:13 -123.157241 0.000323 LBFGSLineSearch: 20 02:15:14 -123.157241 0.000096 LBFGSLineSearch: 21 02:15:15 -123.157241 0.000070 LBFGSLineSearch: 22 02:15:15 -123.157241 0.000007 Minimization converged after 22 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:22 -124.005139 0.060569 LBFGSLineSearch: 1 02:15:23 -124.005304 0.068554 LBFGSLineSearch: 2 02:15:23 -124.005660 0.053161 LBFGSLineSearch: 3 02:15:23 -124.005892 0.062972 LBFGSLineSearch: 4 02:15:24 -124.005969 0.028219 LBFGSLineSearch: 5 02:15:25 -124.006001 0.033943 LBFGSLineSearch: 6 02:15:25 -124.006040 0.015387 LBFGSLineSearch: 7 02:15:25 -124.006079 0.015860 LBFGSLineSearch: 8 02:15:26 -124.006094 0.007895 LBFGSLineSearch: 9 02:15:27 -124.006097 0.006132 LBFGSLineSearch: 10 02:15:28 -124.006100 0.009046 LBFGSLineSearch: 11 02:15:28 -124.006105 0.004009 LBFGSLineSearch: 12 02:15:29 -124.006112 0.007026 LBFGSLineSearch: 13 02:15:29 -124.006115 0.002622 LBFGSLineSearch: 14 02:15:30 -124.006117 0.002695 LBFGSLineSearch: 15 02:15:31 -124.006118 0.003319 LBFGSLineSearch: 16 02:15:31 -124.006120 0.000739 LBFGSLineSearch: 17 02:15:32 -124.006120 0.000283 LBFGSLineSearch: 18 02:15:33 -124.006120 0.000080 LBFGSLineSearch: 19 02:15:33 -124.006120 0.000173 LBFGSLineSearch: 20 02:15:34 -124.006120 0.000041 LBFGSLineSearch: 21 02:15:34 -124.006120 0.000024 LBFGSLineSearch: 22 02:15:35 -124.006120 0.000001 Minimization converged after 22 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:42 -124.855987 0.060705 LBFGSLineSearch: 1 02:15:42 -124.856151 0.068684 LBFGSLineSearch: 2 02:15:42 -124.856510 0.053857 LBFGSLineSearch: 3 02:15:43 -124.856752 0.064357 LBFGSLineSearch: 4 02:15:43 -124.856831 0.028592 LBFGSLineSearch: 5 02:15:44 -124.856863 0.036190 LBFGSLineSearch: 6 02:15:45 -124.856905 0.016378 LBFGSLineSearch: 7 02:15:45 -124.856947 0.017049 LBFGSLineSearch: 8 02:15:46 -124.856963 0.008636 LBFGSLineSearch: 9 02:15:46 -124.856966 0.006095 LBFGSLineSearch: 10 02:15:47 -124.856970 0.009442 LBFGSLineSearch: 11 02:15:48 -124.856974 0.004213 LBFGSLineSearch: 12 02:15:48 -124.856982 0.007104 LBFGSLineSearch: 13 02:15:49 -124.856986 0.002853 LBFGSLineSearch: 14 02:15:49 -124.856987 0.002832 LBFGSLineSearch: 15 02:15:50 -124.856989 0.003223 LBFGSLineSearch: 16 02:15:50 -124.856990 0.000757 LBFGSLineSearch: 17 02:15:51 -124.856990 0.000502 LBFGSLineSearch: 18 02:15:51 -124.856990 0.000405 LBFGSLineSearch: 19 02:15:51 -124.856990 0.000161 LBFGSLineSearch: 20 02:15:52 -124.856990 0.000054 LBFGSLineSearch: 21 02:15:52 -124.856990 0.000043 LBFGSLineSearch: 22 02:15:53 -124.856990 0.000003 Minimization converged after 22 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:58 -125.708871 0.060850 LBFGSLineSearch: 1 02:15:59 -125.709033 0.068805 LBFGSLineSearch: 2 02:15:59 -125.709395 0.054552 LBFGSLineSearch: 3 02:15:59 -125.709647 0.065655 LBFGSLineSearch: 4 02:16:00 -125.709728 0.028900 LBFGSLineSearch: 5 02:16:01 -125.709760 0.038423 LBFGSLineSearch: 6 02:16:01 -125.709805 0.017450 LBFGSLineSearch: 7 02:16:01 -125.709849 0.018257 LBFGSLineSearch: 8 02:16:02 -125.709867 0.009335 LBFGSLineSearch: 9 02:16:02 -125.709871 0.006066 LBFGSLineSearch: 10 02:16:03 -125.709874 0.009856 LBFGSLineSearch: 11 02:16:03 -125.709879 0.004403 LBFGSLineSearch: 12 02:16:04 -125.709888 0.007023 LBFGSLineSearch: 13 02:16:04 -125.709892 0.003210 LBFGSLineSearch: 14 02:16:05 -125.709893 0.002943 LBFGSLineSearch: 15 02:16:05 -125.709895 0.003174 LBFGSLineSearch: 16 02:16:06 -125.709896 0.001072 LBFGSLineSearch: 17 02:16:06 -125.709896 0.000475 LBFGSLineSearch: 18 02:16:07 -125.709896 0.000391 LBFGSLineSearch: 19 02:16:07 -125.709896 0.000052 LBFGSLineSearch: 20 02:16:08 -125.709896 0.000055 LBFGSLineSearch: 21 02:16:08 -125.709896 0.000037 LBFGSLineSearch: 22 02:16:09 -125.709896 0.000001 Minimization converged after 22 steps. Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:15 -126.563835 0.060996 LBFGSLineSearch: 1 02:16:15 -126.563996 0.068929 LBFGSLineSearch: 2 02:16:15 -126.564361 0.055251 LBFGSLineSearch: 3 02:16:15 -126.564624 0.066874 LBFGSLineSearch: 4 02:16:16 -126.564707 0.029144 LBFGSLineSearch: 5 02:16:16 -126.564740 0.040635 LBFGSLineSearch: 6 02:16:16 -126.564788 0.018612 LBFGSLineSearch: 7 02:16:17 -126.564835 0.019496 LBFGSLineSearch: 8 02:16:17 -126.564855 0.009982 LBFGSLineSearch: 9 02:16:17 -126.564858 0.006056 LBFGSLineSearch: 10 02:16:18 -126.564862 0.010317 LBFGSLineSearch: 11 02:16:19 -126.564867 0.004558 LBFGSLineSearch: 12 02:16:19 -126.564876 0.006834 LBFGSLineSearch: 13 02:16:19 -126.564881 0.003618 LBFGSLineSearch: 14 02:16:20 -126.564882 0.002987 LBFGSLineSearch: 15 02:16:21 -126.564884 0.003179 LBFGSLineSearch: 16 02:16:21 -126.564885 0.001255 LBFGSLineSearch: 17 02:16:22 -126.564885 0.000362 LBFGSLineSearch: 18 02:16:23 -126.564885 0.000366 LBFGSLineSearch: 19 02:16:23 -126.564885 0.000255 LBFGSLineSearch: 20 02:16:23 -126.564885 0.000093 LBFGSLineSearch: 21 02:16:24 -126.564885 0.000032 LBFGSLineSearch: 22 02:16:24 -126.564885 0.000003 Minimization converged after 22 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:31 -127.420933 0.061148 LBFGSLineSearch: 1 02:16:31 -127.421092 0.069046 LBFGSLineSearch: 2 02:16:31 -127.421461 0.055945 LBFGSLineSearch: 3 02:16:32 -127.421734 0.068008 LBFGSLineSearch: 4 02:16:32 -127.421820 0.029320 LBFGSLineSearch: 5 02:16:33 -127.421853 0.042782 LBFGSLineSearch: 6 02:16:33 -127.421904 0.019871 LBFGSLineSearch: 7 02:16:34 -127.421955 0.020768 LBFGSLineSearch: 8 02:16:35 -127.421976 0.010571 LBFGSLineSearch: 9 02:16:35 -127.421980 0.006078 LBFGSLineSearch: 10 02:16:36 -127.421984 0.010817 LBFGSLineSearch: 11 02:16:36 -127.421989 0.004659 LBFGSLineSearch: 12 02:16:37 -127.421999 0.006942 LBFGSLineSearch: 13 02:16:37 -127.422004 0.004094 LBFGSLineSearch: 14 02:16:38 -127.422006 0.003422 LBFGSLineSearch: 15 02:16:38 -127.422007 0.003232 LBFGSLineSearch: 16 02:16:39 -127.422008 0.001315 LBFGSLineSearch: 17 02:16:39 -127.422009 0.000364 LBFGSLineSearch: 18 02:16:39 -127.422009 0.000275 LBFGSLineSearch: 19 02:16:40 -127.422009 0.000188 LBFGSLineSearch: 20 02:16:40 -127.422009 0.000057 LBFGSLineSearch: 21 02:16:41 -127.422009 0.000021 LBFGSLineSearch: 22 02:16:41 -127.422009 0.000015 LBFGSLineSearch: 23 02:16:42 -127.422009 0.000000 Minimization converged after 23 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:49 -128.280219 0.061301 LBFGSLineSearch: 1 02:16:51 -128.280378 0.069176 LBFGSLineSearch: 2 02:16:51 -128.280749 0.056660 LBFGSLineSearch: 3 02:16:51 -128.281035 0.069033 LBFGSLineSearch: 4 02:16:52 -128.281124 0.029482 LBFGSLineSearch: 5 02:16:52 -128.281159 0.045028 LBFGSLineSearch: 6 02:16:53 -128.281215 0.021636 LBFGSLineSearch: 7 02:16:53 -128.281273 0.022700 LBFGSLineSearch: 8 02:16:54 -128.281299 0.011582 LBFGSLineSearch: 9 02:16:54 -128.281303 0.006352 LBFGSLineSearch: 10 02:16:55 -128.281307 0.012079 LBFGSLineSearch: 11 02:16:55 -128.281315 0.004886 LBFGSLineSearch: 12 02:16:56 -128.281327 0.007664 LBFGSLineSearch: 13 02:16:57 -128.281333 0.004864 LBFGSLineSearch: 14 02:16:57 -128.281335 0.004273 LBFGSLineSearch: 15 02:16:57 -128.281337 0.004019 LBFGSLineSearch: 16 02:16:58 -128.281339 0.001740 LBFGSLineSearch: 17 02:16:58 -128.281340 0.000682 LBFGSLineSearch: 18 02:16:58 -128.281340 0.000126 LBFGSLineSearch: 19 02:16:59 -128.281340 0.000057 LBFGSLineSearch: 20 02:16:59 -128.281340 0.000041 LBFGSLineSearch: 21 02:17:00 -128.281340 0.000033 LBFGSLineSearch: 22 02:17:01 -128.281340 0.000001 Minimization converged after 22 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:08 -129.141817 0.061464 LBFGSLineSearch: 1 02:17:09 -129.141974 0.069333 LBFGSLineSearch: 2 02:17:09 -129.142350 0.057450 LBFGSLineSearch: 3 02:17:10 -129.142653 0.069887 LBFGSLineSearch: 4 02:17:10 -129.142747 0.029794 LBFGSLineSearch: 5 02:17:11 -129.142788 0.047823 LBFGSLineSearch: 6 02:17:12 -129.142856 0.025114 LBFGSLineSearch: 7 02:17:12 -129.142938 0.026569 LBFGSLineSearch: 8 02:17:13 -129.142975 0.013703 LBFGSLineSearch: 9 02:17:13 -129.142983 0.007708 LBFGSLineSearch: 10 02:17:14 -129.142993 0.017912 LBFGSLineSearch: 11 02:17:14 -129.143012 0.006087 LBFGSLineSearch: 12 02:17:15 -129.143036 0.007526 LBFGSLineSearch: 13 02:17:16 -129.143045 0.005668 LBFGSLineSearch: 14 02:17:16 -129.143052 0.008019 LBFGSLineSearch: 15 02:17:17 -129.143064 0.005264 LBFGSLineSearch: 16 02:17:17 -129.143068 0.003428 LBFGSLineSearch: 17 02:17:17 -129.143069 0.001069 LBFGSLineSearch: 18 02:17:18 -129.143069 0.000581 LBFGSLineSearch: 19 02:17:18 -129.143070 0.000507 LBFGSLineSearch: 20 02:17:18 -129.143070 0.000178 LBFGSLineSearch: 21 02:17:18 -129.143070 0.000122 LBFGSLineSearch: 22 02:17:19 -129.143070 0.000086 LBFGSLineSearch: 23 02:17:19 -129.143070 0.000028 LBFGSLineSearch: 24 02:17:19 -129.143070 0.000002 Minimization converged after 24 steps. Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:25 -130.006194 0.061653 LBFGSLineSearch: 1 02:17:26 -130.006350 0.069569 LBFGSLineSearch: 2 02:17:26 -130.006732 0.058455 LBFGSLineSearch: 3 02:17:26 -130.007065 0.070496 LBFGSLineSearch: 4 02:17:27 -130.007170 0.030823 LBFGSLineSearch: 5 02:17:27 -130.007235 0.052853 LBFGSLineSearch: 6 02:17:29 -130.007389 0.062941 LBFGSLineSearch: 7 02:17:29 -130.007618 0.039619 LBFGSLineSearch: 8 02:17:30 -130.008010 0.044484 LBFGSLineSearch: 9 02:17:30 -130.008221 0.054022 LBFGSLineSearch: 10 02:17:30 -130.008960 0.095533 LBFGSLineSearch: 11 02:17:31 -130.009246 0.096235 LBFGSLineSearch: 12 02:17:32 -130.009695 0.025633 LBFGSLineSearch: 13 02:17:33 -130.009823 0.042200 LBFGSLineSearch: 14 02:17:33 -130.010055 0.029178 LBFGSLineSearch: 15 02:17:34 -130.010160 0.024889 LBFGSLineSearch: 16 02:17:34 -130.010493 0.023913 LBFGSLineSearch: 17 02:17:34 -130.010619 0.027961 LBFGSLineSearch: 18 02:17:35 -130.010669 0.017544 LBFGSLineSearch: 19 02:17:36 -130.010723 0.006803 LBFGSLineSearch: 20 02:17:36 -130.010733 0.009818 LBFGSLineSearch: 21 02:17:37 -130.010751 0.003313 LBFGSLineSearch: 22 02:17:37 -130.010752 0.000974 LBFGSLineSearch: 23 02:17:38 -130.010752 0.001162 LBFGSLineSearch: 24 02:17:39 -130.010752 0.000035 LBFGSLineSearch: 25 02:17:39 -130.010752 0.000002 Minimization converged after 25 steps. Pressure: -39.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:46 -130.878840 0.062007 LBFGSLineSearch: 1 02:17:46 -130.878995 0.069203 LBFGSLineSearch: 2 02:17:46 -130.879370 0.057877 LBFGSLineSearch: 3 02:17:47 -130.879655 0.072948 LBFGSLineSearch: 4 02:17:48 -130.879733 0.026972 LBFGSLineSearch: 5 02:17:48 -130.879759 0.021279 LBFGSLineSearch: 6 02:17:49 -130.879780 0.017600 LBFGSLineSearch: 7 02:17:49 -130.879805 0.009331 LBFGSLineSearch: 8 02:17:50 -130.879818 0.005432 LBFGSLineSearch: 9 02:17:51 -130.879823 0.006437 LBFGSLineSearch: 10 02:17:52 -130.879824 0.002176 LBFGSLineSearch: 11 02:17:52 -130.879825 0.002033 LBFGSLineSearch: 12 02:17:53 -130.879826 0.002015 LBFGSLineSearch: 13 02:17:54 -130.879826 0.001631 LBFGSLineSearch: 14 02:17:54 -130.879827 0.000869 LBFGSLineSearch: 15 02:17:55 -130.879827 0.000922 LBFGSLineSearch: 16 02:17:56 -130.879828 0.000901 LBFGSLineSearch: 17 02:17:56 -130.879828 0.000407 LBFGSLineSearch: 18 02:17:57 -130.879828 0.000405 LBFGSLineSearch: 19 02:17:57 -130.879828 0.000421 LBFGSLineSearch: 20 02:17:58 -130.879828 0.000025 LBFGSLineSearch: 21 02:17:58 -130.879828 0.000002 Minimization converged after 21 steps. Pressure: -40.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:05 -131.749888 0.062148 LBFGSLineSearch: 1 02:18:05 -131.750009 0.037149 LBFGSLineSearch: 2 02:18:05 -131.750416 0.058250 LBFGSLineSearch: 3 02:18:06 -131.750670 0.104634 LBFGSLineSearch: 4 02:18:07 -131.750768 0.036464 LBFGSLineSearch: 5 02:18:07 -131.750800 0.025238 LBFGSLineSearch: 6 02:18:08 -131.750819 0.018267 LBFGSLineSearch: 7 02:18:08 -131.750843 0.013600 LBFGSLineSearch: 8 02:18:08 -131.750863 0.005528 LBFGSLineSearch: 9 02:18:09 -131.750866 0.005432 LBFGSLineSearch: 10 02:18:09 -131.750869 0.003043 LBFGSLineSearch: 11 02:18:10 -131.750870 0.001632 LBFGSLineSearch: 12 02:18:10 -131.750870 0.002661 LBFGSLineSearch: 13 02:18:10 -131.750871 0.001433 LBFGSLineSearch: 14 02:18:10 -131.750871 0.000647 LBFGSLineSearch: 15 02:18:11 -131.750871 0.000932 LBFGSLineSearch: 16 02:18:11 -131.750871 0.000436 LBFGSLineSearch: 17 02:18:12 -131.750871 0.000366 LBFGSLineSearch: 18 02:18:12 -131.750871 0.000160 LBFGSLineSearch: 19 02:18:13 -131.750871 0.000151 LBFGSLineSearch: 20 02:18:14 -131.750871 0.000004 Minimization converged after 20 steps. Pressure: -40.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:21 -132.622899 0.062290 LBFGSLineSearch: 1 02:18:21 -132.623020 0.037713 LBFGSLineSearch: 2 02:18:22 -132.623425 0.058466 LBFGSLineSearch: 3 02:18:22 -132.623684 0.103878 LBFGSLineSearch: 4 02:18:24 -132.623784 0.035796 LBFGSLineSearch: 5 02:18:26 -132.623815 0.024964 LBFGSLineSearch: 6 02:18:26 -132.623835 0.019572 LBFGSLineSearch: 7 02:18:26 -132.623862 0.013889 LBFGSLineSearch: 8 02:18:27 -132.623883 0.005877 LBFGSLineSearch: 9 02:18:27 -132.623886 0.005712 LBFGSLineSearch: 10 02:18:28 -132.623889 0.003022 LBFGSLineSearch: 11 02:18:28 -132.623890 0.001458 LBFGSLineSearch: 12 02:18:28 -132.623890 0.002212 LBFGSLineSearch: 13 02:18:29 -132.623891 0.001126 LBFGSLineSearch: 14 02:18:29 -132.623891 0.000452 LBFGSLineSearch: 15 02:18:30 -132.623891 0.000577 LBFGSLineSearch: 16 02:18:30 -132.623891 0.000340 LBFGSLineSearch: 17 02:18:30 -132.623891 0.000365 LBFGSLineSearch: 18 02:18:31 -132.623891 0.000424 LBFGSLineSearch: 19 02:18:31 -132.623891 0.000098 LBFGSLineSearch: 20 02:18:32 -132.623891 0.000018 LBFGSLineSearch: 21 02:18:32 -132.623891 0.000000 Minimization converged after 21 steps. Pressure: -41.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:39 -133.497907 0.062430 LBFGSLineSearch: 1 02:18:39 -133.498028 0.038276 LBFGSLineSearch: 2 02:18:39 -133.498432 0.058751 LBFGSLineSearch: 3 02:18:40 -133.498700 0.103229 LBFGSLineSearch: 4 02:18:41 -133.498801 0.035331 LBFGSLineSearch: 5 02:18:41 -133.498834 0.024840 LBFGSLineSearch: 6 02:18:42 -133.498855 0.021295 LBFGSLineSearch: 7 02:18:42 -133.498884 0.014322 LBFGSLineSearch: 8 02:18:43 -133.498906 0.006102 LBFGSLineSearch: 9 02:18:43 -133.498910 0.004088 LBFGSLineSearch: 10 02:18:44 -133.498912 0.003816 LBFGSLineSearch: 11 02:18:44 -133.498914 0.002776 LBFGSLineSearch: 12 02:18:45 -133.498914 0.001463 LBFGSLineSearch: 13 02:18:45 -133.498915 0.001048 LBFGSLineSearch: 14 02:18:46 -133.498915 0.001671 LBFGSLineSearch: 15 02:18:46 -133.498915 0.000527 LBFGSLineSearch: 16 02:18:47 -133.498915 0.000354 LBFGSLineSearch: 17 02:18:47 -133.498915 0.000312 LBFGSLineSearch: 18 02:18:48 -133.498915 0.000582 LBFGSLineSearch: 19 02:18:48 -133.498915 0.000303 LBFGSLineSearch: 20 02:18:49 -133.498915 0.000152 LBFGSLineSearch: 21 02:18:49 -133.498915 0.000050 LBFGSLineSearch: 22 02:18:50 -133.498915 0.000039 LBFGSLineSearch: 23 02:18:50 -133.498915 0.000001 Minimization converged after 23 steps. Pressure: -41.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:56 -134.374955 0.062574 LBFGSLineSearch: 1 02:18:57 -134.375075 0.038834 LBFGSLineSearch: 2 02:18:57 -134.375479 0.059100 LBFGSLineSearch: 3 02:18:58 -134.375759 0.102640 LBFGSLineSearch: 4 02:18:58 -134.375862 0.035003 LBFGSLineSearch: 5 02:18:59 -134.375897 0.024772 LBFGSLineSearch: 6 02:18:59 -134.375920 0.023292 LBFGSLineSearch: 7 02:19:00 -134.375951 0.014885 LBFGSLineSearch: 8 02:19:00 -134.375975 0.006449 LBFGSLineSearch: 9 02:19:01 -134.375979 0.004399 LBFGSLineSearch: 10 02:19:02 -134.375982 0.004016 LBFGSLineSearch: 11 02:19:03 -134.375984 0.003089 LBFGSLineSearch: 12 02:19:03 -134.375984 0.001339 LBFGSLineSearch: 13 02:19:04 -134.375984 0.001032 LBFGSLineSearch: 14 02:19:04 -134.375985 0.001645 LBFGSLineSearch: 15 02:19:05 -134.375985 0.000403 LBFGSLineSearch: 16 02:19:05 -134.375985 0.000262 LBFGSLineSearch: 17 02:19:05 -134.375985 0.000414 LBFGSLineSearch: 18 02:19:05 -134.375985 0.000239 LBFGSLineSearch: 19 02:19:06 -134.375985 0.000255 LBFGSLineSearch: 20 02:19:06 -134.375985 0.000018 LBFGSLineSearch: 21 02:19:07 -134.375985 0.000009 Minimization converged after 21 steps. Pressure: -42.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:14 -135.254093 0.062731 LBFGSLineSearch: 1 02:19:14 -135.254214 0.039389 LBFGSLineSearch: 2 02:19:15 -135.254617 0.059503 LBFGSLineSearch: 3 02:19:15 -135.254924 0.102136 LBFGSLineSearch: 4 02:19:15 -135.255026 0.035780 LBFGSLineSearch: 5 02:19:16 -135.255061 0.024810 LBFGSLineSearch: 6 02:19:16 -135.255089 0.026318 LBFGSLineSearch: 7 02:19:17 -135.255127 0.017826 LBFGSLineSearch: 8 02:19:17 -135.255152 0.006923 LBFGSLineSearch: 9 02:19:18 -135.255157 0.006234 LBFGSLineSearch: 10 02:19:18 -135.255161 0.002604 LBFGSLineSearch: 11 02:19:19 -135.255161 0.002295 LBFGSLineSearch: 12 02:19:19 -135.255162 0.004108 LBFGSLineSearch: 13 02:19:20 -135.255164 0.001610 LBFGSLineSearch: 14 02:19:20 -135.255164 0.001394 LBFGSLineSearch: 15 02:19:22 -135.255165 0.000777 LBFGSLineSearch: 16 02:19:22 -135.255165 0.000998 LBFGSLineSearch: 17 02:19:22 -135.255165 0.001417 LBFGSLineSearch: 18 02:19:23 -135.255166 0.000197 LBFGSLineSearch: 19 02:19:23 -135.255166 0.000241 LBFGSLineSearch: 20 02:19:24 -135.255166 0.000107 LBFGSLineSearch: 21 02:19:24 -135.255166 0.000049 LBFGSLineSearch: 22 02:19:25 -135.255166 0.000033 LBFGSLineSearch: 23 02:19:27 -135.255166 0.000000 Minimization converged after 23 steps. Pressure: -42.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:34 -136.135560 0.062885 LBFGSLineSearch: 1 02:19:34 -136.135682 0.039943 LBFGSLineSearch: 2 02:19:35 -136.136113 0.063259 LBFGSLineSearch: 3 02:19:35 -136.136504 0.108446 LBFGSLineSearch: 4 02:19:35 -136.136646 0.044191 LBFGSLineSearch: 5 02:19:35 -136.136706 0.068408 LBFGSLineSearch: 6 02:19:36 -136.136795 0.045471 LBFGSLineSearch: 7 02:19:36 -136.136889 0.040180 LBFGSLineSearch: 8 02:19:37 -136.136959 0.017694 LBFGSLineSearch: 9 02:19:37 -136.136979 0.010545 LBFGSLineSearch: 10 02:19:37 -136.137000 0.017025 LBFGSLineSearch: 11 02:19:38 -136.137022 0.007852 LBFGSLineSearch: 12 02:19:39 -136.137073 0.008972 LBFGSLineSearch: 13 02:19:39 -136.137080 0.007619 LBFGSLineSearch: 14 02:19:39 -136.137092 0.013338 LBFGSLineSearch: 15 02:19:40 -136.137114 0.003461 LBFGSLineSearch: 16 02:19:40 -136.137116 0.003189 LBFGSLineSearch: 17 02:19:41 -136.137117 0.000932 LBFGSLineSearch: 18 02:19:42 -136.137117 0.000393 LBFGSLineSearch: 19 02:19:43 -136.137117 0.000808 LBFGSLineSearch: 20 02:19:44 -136.137117 0.000102 LBFGSLineSearch: 21 02:19:44 -136.137117 0.000080 LBFGSLineSearch: 22 02:19:44 -136.137117 0.000001 Minimization converged after 22 steps. Pressure: -43.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:52 -137.020663 0.063111 LBFGSLineSearch: 1 02:19:52 -137.020784 0.040483 LBFGSLineSearch: 2 02:19:52 -137.021218 0.063975 LBFGSLineSearch: 3 02:19:53 -137.021631 0.108379 LBFGSLineSearch: 4 02:19:53 -137.021777 0.046641 LBFGSLineSearch: 5 02:19:55 -137.021846 0.068328 LBFGSLineSearch: 6 02:19:55 -137.021940 0.050255 LBFGSLineSearch: 7 02:19:56 -137.022047 0.043478 LBFGSLineSearch: 8 02:19:56 -137.022125 0.017155 LBFGSLineSearch: 9 02:19:56 -137.022148 0.011588 LBFGSLineSearch: 10 02:19:56 -137.022176 0.019443 LBFGSLineSearch: 11 02:19:57 -137.022208 0.008780 LBFGSLineSearch: 12 02:19:57 -137.022283 0.012022 LBFGSLineSearch: 13 02:19:58 -137.022292 0.008790 LBFGSLineSearch: 14 02:19:58 -137.022309 0.018660 LBFGSLineSearch: 15 02:19:59 -137.022341 0.005080 LBFGSLineSearch: 16 02:19:59 -137.022345 0.003041 LBFGSLineSearch: 17 02:19:59 -137.022347 0.000617 LBFGSLineSearch: 18 02:20:00 -137.022347 0.000579 LBFGSLineSearch: 19 02:20:00 -137.022347 0.000723 LBFGSLineSearch: 20 02:20:01 -137.022347 0.000131 LBFGSLineSearch: 21 02:20:01 -137.022347 0.000075 LBFGSLineSearch: 22 02:20:01 -137.022347 0.000029 LBFGSLineSearch: 23 02:20:01 -137.022347 0.000000 Minimization converged after 23 steps. Pressure: -43.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:08 -137.909318 0.063355 LBFGSLineSearch: 1 02:20:09 -137.909440 0.041030 LBFGSLineSearch: 2 02:20:10 -137.909877 0.064691 LBFGSLineSearch: 3 02:20:11 -137.910313 0.107946 LBFGSLineSearch: 4 02:20:12 -137.910463 0.049264 LBFGSLineSearch: 5 02:20:13 -137.910543 0.067793 LBFGSLineSearch: 6 02:20:13 -137.910645 0.055749 LBFGSLineSearch: 7 02:20:13 -137.910769 0.048274 LBFGSLineSearch: 8 02:20:14 -137.910860 0.019656 LBFGSLineSearch: 9 02:20:14 -137.910888 0.013255 LBFGSLineSearch: 10 02:20:15 -137.910928 0.022829 LBFGSLineSearch: 11 02:20:15 -137.910979 0.012555 LBFGSLineSearch: 12 02:20:15 -137.911104 0.022655 LBFGSLineSearch: 13 02:20:16 -137.911123 0.010973 LBFGSLineSearch: 14 02:20:16 -137.911151 0.028990 LBFGSLineSearch: 15 02:20:17 -137.911208 0.007632 LBFGSLineSearch: 16 02:20:18 -137.911216 0.004696 LBFGSLineSearch: 17 02:20:19 -137.911220 0.001857 LBFGSLineSearch: 18 02:20:19 -137.911221 0.000964 LBFGSLineSearch: 19 02:20:19 -137.911221 0.000786 LBFGSLineSearch: 20 02:20:20 -137.911221 0.000175 LBFGSLineSearch: 21 02:20:20 -137.911221 0.000164 LBFGSLineSearch: 22 02:20:21 -137.911221 0.000124 LBFGSLineSearch: 23 02:20:21 -137.911221 0.000055 LBFGSLineSearch: 24 02:20:21 -137.911221 0.000007 Minimization converged after 24 steps. Pressure: -44.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:29 -138.802123 0.063643 LBFGSLineSearch: 1 02:20:30 -138.802245 0.041592 LBFGSLineSearch: 2 02:20:30 -138.802686 0.065406 LBFGSLineSearch: 3 02:20:31 -138.803147 0.106956 LBFGSLineSearch: 4 02:20:32 -138.803303 0.052167 LBFGSLineSearch: 5 02:20:32 -138.803398 0.066469 LBFGSLineSearch: 6 02:20:33 -138.803514 0.062374 LBFGSLineSearch: 7 02:20:33 -138.803664 0.056561 LBFGSLineSearch: 8 02:20:34 -138.803776 0.023403 LBFGSLineSearch: 9 02:20:34 -138.803830 0.025196 LBFGSLineSearch: 10 02:20:35 -138.803944 0.016122 LBFGSLineSearch: 11 02:20:36 -138.804006 0.030065 LBFGSLineSearch: 12 02:20:36 -138.804180 0.019138 LBFGSLineSearch: 13 02:20:37 -138.804198 0.008249 LBFGSLineSearch: 14 02:20:37 -138.804209 0.012492 LBFGSLineSearch: 15 02:20:37 -138.804232 0.004935 LBFGSLineSearch: 16 02:20:38 -138.804233 0.003348 LBFGSLineSearch: 17 02:20:38 -138.804234 0.004411 LBFGSLineSearch: 18 02:20:38 -138.804236 0.000343 LBFGSLineSearch: 19 02:20:39 -138.804236 0.000325 LBFGSLineSearch: 20 02:20:39 -138.804236 0.000200 LBFGSLineSearch: 21 02:20:40 -138.804236 0.000094 LBFGSLineSearch: 22 02:20:40 -138.804236 0.000027 LBFGSLineSearch: 23 02:20:40 -138.804236 0.000001 Minimization converged after 23 steps. Pressure: -44.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:47 -139.699082 0.063918 LBFGSLineSearch: 1 02:20:48 -139.699204 0.042129 LBFGSLineSearch: 2 02:20:48 -139.699636 0.064359 LBFGSLineSearch: 3 02:20:49 -139.700070 0.101210 LBFGSLineSearch: 4 02:20:49 -139.700206 0.048373 LBFGSLineSearch: 5 02:20:49 -139.700292 0.065411 LBFGSLineSearch: 6 02:20:50 -139.700389 0.059692 LBFGSLineSearch: 7 02:20:50 -139.700510 0.051913 LBFGSLineSearch: 8 02:20:51 -139.700593 0.024242 LBFGSLineSearch: 9 02:20:51 -139.700620 0.010964 LBFGSLineSearch: 10 02:20:51 -139.700654 0.024433 LBFGSLineSearch: 11 02:20:52 -139.700678 0.008745 LBFGSLineSearch: 12 02:20:53 -139.700693 0.012855 LBFGSLineSearch: 13 02:20:54 -139.700713 0.003308 LBFGSLineSearch: 14 02:20:54 -139.700715 0.004587 LBFGSLineSearch: 15 02:20:55 -139.700716 0.001839 LBFGSLineSearch: 16 02:20:55 -139.700717 0.001401 LBFGSLineSearch: 17 02:20:56 -139.700717 0.001376 LBFGSLineSearch: 18 02:20:56 -139.700717 0.000169 LBFGSLineSearch: 19 02:20:56 -139.700717 0.000028 LBFGSLineSearch: 20 02:20:57 -139.700717 0.000008 Minimization converged after 20 steps. Pressure: -45.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:04 -140.598820 0.064154 LBFGSLineSearch: 1 02:21:04 -140.598942 0.042744 LBFGSLineSearch: 2 02:21:04 -140.599365 0.063308 LBFGSLineSearch: 3 02:21:05 -140.599788 0.096618 LBFGSLineSearch: 4 02:21:05 -140.599911 0.047674 LBFGSLineSearch: 5 02:21:06 -140.600000 0.066081 LBFGSLineSearch: 6 02:21:07 -140.600096 0.061817 LBFGSLineSearch: 7 02:21:07 -140.600223 0.052413 LBFGSLineSearch: 8 02:21:07 -140.600301 0.031999 LBFGSLineSearch: 9 02:21:08 -140.600334 0.011541 LBFGSLineSearch: 10 02:21:08 -140.600370 0.027356 LBFGSLineSearch: 11 02:21:09 -140.600394 0.009023 LBFGSLineSearch: 12 02:21:09 -140.600407 0.012476 LBFGSLineSearch: 13 02:21:10 -140.600434 0.004936 LBFGSLineSearch: 14 02:21:10 -140.600439 0.004011 LBFGSLineSearch: 15 02:21:10 -140.600441 0.001664 LBFGSLineSearch: 16 02:21:11 -140.600441 0.001799 LBFGSLineSearch: 17 02:21:11 -140.600442 0.001756 LBFGSLineSearch: 18 02:21:11 -140.600442 0.000355 LBFGSLineSearch: 19 02:21:11 -140.600442 0.000040 LBFGSLineSearch: 20 02:21:11 -140.600442 0.000013 LBFGSLineSearch: 21 02:21:12 -140.600442 0.000012 LBFGSLineSearch: 22 02:21:12 -140.600442 0.000000 Minimization converged after 22 steps. Pressure: -45.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:18 -141.501796 0.064382 LBFGSLineSearch: 1 02:21:19 -141.501918 0.043397 LBFGSLineSearch: 2 02:21:19 -141.502333 0.062535 LBFGSLineSearch: 3 02:21:20 -141.502756 0.092451 LBFGSLineSearch: 4 02:21:20 -141.502870 0.048224 LBFGSLineSearch: 5 02:21:21 -141.502965 0.067603 LBFGSLineSearch: 6 02:21:22 -141.503067 0.064991 LBFGSLineSearch: 7 02:21:23 -141.503203 0.054645 LBFGSLineSearch: 8 02:21:24 -141.503273 0.039628 LBFGSLineSearch: 9 02:21:25 -141.503316 0.013205 LBFGSLineSearch: 10 02:21:25 -141.503354 0.027752 LBFGSLineSearch: 11 02:21:26 -141.503379 0.009508 LBFGSLineSearch: 12 02:21:26 -141.503395 0.014790 LBFGSLineSearch: 13 02:21:27 -141.503431 0.007288 LBFGSLineSearch: 14 02:21:28 -141.503443 0.004745 LBFGSLineSearch: 15 02:21:28 -141.503445 0.002350 LBFGSLineSearch: 16 02:21:29 -141.503446 0.003034 LBFGSLineSearch: 17 02:21:29 -141.503447 0.000664 LBFGSLineSearch: 18 02:21:30 -141.503447 0.000463 LBFGSLineSearch: 19 02:21:30 -141.503447 0.000044 LBFGSLineSearch: 20 02:21:31 -141.503447 0.000026 LBFGSLineSearch: 21 02:21:32 -141.503447 0.000002 Minimization converged after 21 steps. Pressure: -46.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:39 -142.408118 0.064620 LBFGSLineSearch: 1 02:21:39 -142.408240 0.044086 LBFGSLineSearch: 2 02:21:40 -142.408648 0.061834 LBFGSLineSearch: 3 02:21:41 -142.409075 0.088260 LBFGSLineSearch: 4 02:21:41 -142.409181 0.048967 LBFGSLineSearch: 5 02:21:42 -142.409284 0.070052 LBFGSLineSearch: 6 02:21:42 -142.409394 0.067548 LBFGSLineSearch: 7 02:21:43 -142.409538 0.057022 LBFGSLineSearch: 8 02:21:44 -142.409598 0.045594 LBFGSLineSearch: 9 02:21:44 -142.409650 0.015099 LBFGSLineSearch: 10 02:21:45 -142.409690 0.026773 LBFGSLineSearch: 11 02:21:46 -142.409721 0.011613 LBFGSLineSearch: 12 02:21:46 -142.409743 0.018872 LBFGSLineSearch: 13 02:21:47 -142.409789 0.011424 LBFGSLineSearch: 14 02:21:49 -142.409814 0.009067 LBFGSLineSearch: 15 02:21:49 -142.409816 0.003166 LBFGSLineSearch: 16 02:21:50 -142.409818 0.008258 LBFGSLineSearch: 17 02:21:51 -142.409822 0.000898 LBFGSLineSearch: 18 02:21:51 -142.409822 0.000432 LBFGSLineSearch: 19 02:21:51 -142.409822 0.000072 LBFGSLineSearch: 20 02:21:52 -142.409822 0.000077 LBFGSLineSearch: 21 02:21:53 -142.409822 0.000007 Minimization converged after 21 steps. Pressure: -46.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:59 -143.317926 0.064871 LBFGSLineSearch: 1 02:22:00 -143.318048 0.044797 LBFGSLineSearch: 2 02:22:00 -143.318450 0.061109 LBFGSLineSearch: 3 02:22:00 -143.318880 0.083712 LBFGSLineSearch: 4 02:22:01 -143.318981 0.049490 LBFGSLineSearch: 5 02:22:01 -143.319090 0.073369 LBFGSLineSearch: 6 02:22:02 -143.319212 0.068381 LBFGSLineSearch: 7 02:22:02 -143.319359 0.058667 LBFGSLineSearch: 8 02:22:03 -143.319429 0.033498 LBFGSLineSearch: 9 02:22:03 -143.319472 0.018063 LBFGSLineSearch: 10 02:22:04 -143.319528 0.021221 LBFGSLineSearch: 11 02:22:05 -143.319557 0.010427 LBFGSLineSearch: 12 02:22:05 -143.319607 0.009303 LBFGSLineSearch: 13 02:22:06 -143.319642 0.012119 LBFGSLineSearch: 14 02:22:06 -143.319661 0.022641 LBFGSLineSearch: 15 02:22:07 -143.319705 0.005356 LBFGSLineSearch: 16 02:22:08 -143.319710 0.006672 LBFGSLineSearch: 17 02:22:09 -143.319722 0.003226 LBFGSLineSearch: 18 02:22:10 -143.319723 0.001031 LBFGSLineSearch: 19 02:22:11 -143.319723 0.001502 LBFGSLineSearch: 20 02:22:11 -143.319723 0.000202 LBFGSLineSearch: 21 02:22:12 -143.319723 0.000144 LBFGSLineSearch: 22 02:22:12 -143.319723 0.000059 LBFGSLineSearch: 23 02:22:13 -143.319723 0.000000 Minimization converged after 23 steps. Pressure: -47.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:20 -144.231471 0.065125 LBFGSLineSearch: 1 02:22:20 -144.231593 0.045572 LBFGSLineSearch: 2 02:22:21 -144.231988 0.060202 LBFGSLineSearch: 3 02:22:21 -144.232420 0.078471 LBFGSLineSearch: 4 02:22:21 -144.232517 0.050826 LBFGSLineSearch: 5 02:22:21 -144.232631 0.076597 LBFGSLineSearch: 6 02:22:22 -144.232773 0.065855 LBFGSLineSearch: 7 02:22:22 -144.232912 0.056414 LBFGSLineSearch: 8 02:22:23 -144.232970 0.045490 LBFGSLineSearch: 9 02:22:23 -144.233027 0.023832 LBFGSLineSearch: 10 02:22:24 -144.233069 0.015602 LBFGSLineSearch: 11 02:22:25 -144.233118 0.015552 LBFGSLineSearch: 12 02:22:25 -144.233145 0.013434 LBFGSLineSearch: 13 02:22:27 -144.233185 0.022478 LBFGSLineSearch: 14 02:22:28 -144.233286 0.027902 LBFGSLineSearch: 15 02:22:29 -144.233359 0.024288 LBFGSLineSearch: 16 02:22:29 -144.233440 0.013629 LBFGSLineSearch: 17 02:22:29 -144.233458 0.016262 LBFGSLineSearch: 18 02:22:30 -144.233503 0.004676 LBFGSLineSearch: 19 02:22:31 -144.233512 0.001965 LBFGSLineSearch: 20 02:22:32 -144.233512 0.001367 LBFGSLineSearch: 21 02:22:34 -144.233513 0.000820 LBFGSLineSearch: 22 02:22:34 -144.233513 0.000403 LBFGSLineSearch: 23 02:22:35 -144.233513 0.000347 LBFGSLineSearch: 24 02:22:36 -144.233513 0.000225 LBFGSLineSearch: 25 02:22:36 -144.233513 0.000095 LBFGSLineSearch: 26 02:22:38 -144.233513 0.000039 LBFGSLineSearch: 27 02:22:38 -144.233513 0.000000 Minimization converged after 27 steps. Pressure: -47.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:45 -145.149578 0.065433 LBFGSLineSearch: 1 02:22:45 -145.149700 0.046514 LBFGSLineSearch: 2 02:22:45 -145.150085 0.058580 LBFGSLineSearch: 3 02:22:46 -145.150511 0.071063 LBFGSLineSearch: 4 02:22:47 -145.150603 0.054431 LBFGSLineSearch: 5 02:22:48 -145.150722 0.071767 LBFGSLineSearch: 6 02:22:48 -145.150894 0.053531 LBFGSLineSearch: 7 02:22:49 -145.151016 0.063513 LBFGSLineSearch: 8 02:22:49 -145.151095 0.043710 LBFGSLineSearch: 9 02:22:50 -145.151135 0.035359 LBFGSLineSearch: 10 02:22:50 -145.151202 0.020533 LBFGSLineSearch: 11 02:22:51 -145.151277 0.022258 LBFGSLineSearch: 12 02:22:52 -145.151338 0.021215 LBFGSLineSearch: 13 02:22:52 -145.151580 0.067616 LBFGSLineSearch: 14 02:22:53 -145.151896 0.100014 LBFGSLineSearch: 15 02:22:54 -145.216802 1.812799 LBFGSLineSearch: 16 02:22:56 -145.216918 1.875297 LBFGSLineSearch: 17 02:22:56 -145.248382 0.465139 LBFGSLineSearch: 18 02:22:57 -145.259443 0.248208 LBFGSLineSearch: 19 02:22:58 -145.261221 0.096951 LBFGSLineSearch: 20 02:22:58 -145.261817 0.090922 LBFGSLineSearch: 21 02:22:59 -145.262274 0.069712 LBFGSLineSearch: 22 02:22:59 -145.262923 0.040638 LBFGSLineSearch: 23 02:23:00 -145.263230 0.021798 LBFGSLineSearch: 24 02:23:01 -145.263293 0.014338 LBFGSLineSearch: 25 02:23:01 -145.263323 0.013970 LBFGSLineSearch: 26 02:23:01 -145.263337 0.007122 LBFGSLineSearch: 27 02:23:02 -145.263340 0.003145 LBFGSLineSearch: 28 02:23:02 -145.263341 0.002103 LBFGSLineSearch: 29 02:23:04 -145.263341 0.000699 LBFGSLineSearch: 30 02:23:04 -145.263341 0.000025 LBFGSLineSearch: 31 02:23:04 -145.263341 0.000004 Minimization converged after 31 steps. Pressure: -48.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:11 -146.210607 0.067663 LBFGSLineSearch: 1 02:23:11 -146.210724 0.052255 LBFGSLineSearch: 2 02:23:12 -146.210988 0.053001 LBFGSLineSearch: 3 02:23:13 -146.211132 0.066256 LBFGSLineSearch: 4 02:23:13 -146.211282 0.060757 LBFGSLineSearch: 5 02:23:14 -146.211406 0.075664 LBFGSLineSearch: 6 02:23:14 -146.211558 0.045339 LBFGSLineSearch: 7 02:23:15 -146.211600 0.030639 LBFGSLineSearch: 8 02:23:15 -146.211637 0.039141 LBFGSLineSearch: 9 02:23:15 -146.211671 0.016866 LBFGSLineSearch: 10 02:23:16 -146.211695 0.011482 LBFGSLineSearch: 11 02:23:17 -146.211735 0.023245 LBFGSLineSearch: 12 02:23:17 -146.211775 0.011982 LBFGSLineSearch: 13 02:23:18 -146.211841 0.017639 LBFGSLineSearch: 14 02:23:18 -146.211852 0.005798 LBFGSLineSearch: 15 02:23:19 -146.211854 0.004464 LBFGSLineSearch: 16 02:23:19 -146.211855 0.002974 LBFGSLineSearch: 17 02:23:19 -146.211855 0.001567 LBFGSLineSearch: 18 02:23:20 -146.211856 0.001672 LBFGSLineSearch: 19 02:23:20 -146.211856 0.001440 LBFGSLineSearch: 20 02:23:20 -146.211856 0.001044 LBFGSLineSearch: 21 02:23:21 -146.211856 0.000445 LBFGSLineSearch: 22 02:23:21 -146.211856 0.000291 LBFGSLineSearch: 23 02:23:21 -146.211856 0.000159 LBFGSLineSearch: 24 02:23:22 -146.211856 0.000019 LBFGSLineSearch: 25 02:23:23 -146.211856 0.000000 Minimization converged after 25 steps. Pressure: -48.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:28 -147.161623 0.067841 LBFGSLineSearch: 1 02:23:28 -147.161740 0.052769 LBFGSLineSearch: 2 02:23:29 -147.162004 0.053581 LBFGSLineSearch: 3 02:23:29 -147.162149 0.067694 LBFGSLineSearch: 4 02:23:30 -147.162308 0.062775 LBFGSLineSearch: 5 02:23:30 -147.162431 0.088257 LBFGSLineSearch: 6 02:23:31 -147.162600 0.040544 LBFGSLineSearch: 7 02:23:32 -147.162642 0.031810 LBFGSLineSearch: 8 02:23:32 -147.162686 0.040513 LBFGSLineSearch: 9 02:23:32 -147.162719 0.018157 LBFGSLineSearch: 10 02:23:33 -147.162751 0.022569 LBFGSLineSearch: 11 02:23:34 -147.162804 0.011329 LBFGSLineSearch: 12 02:23:35 -147.162821 0.009811 LBFGSLineSearch: 13 02:23:35 -147.162870 0.005399 LBFGSLineSearch: 14 02:23:36 -147.162883 0.006163 LBFGSLineSearch: 15 02:23:37 -147.162886 0.002375 LBFGSLineSearch: 16 02:23:38 -147.162887 0.002140 LBFGSLineSearch: 17 02:23:39 -147.162888 0.002202 LBFGSLineSearch: 18 02:23:39 -147.162888 0.001770 LBFGSLineSearch: 19 02:23:39 -147.162888 0.001038 LBFGSLineSearch: 20 02:23:40 -147.162888 0.000535 LBFGSLineSearch: 21 02:23:40 -147.162888 0.000417 LBFGSLineSearch: 22 02:23:41 -147.162888 0.000277 LBFGSLineSearch: 23 02:23:41 -147.162888 0.000134 LBFGSLineSearch: 24 02:23:41 -147.162888 0.000048 LBFGSLineSearch: 25 02:23:41 -147.162888 0.000001 Minimization converged after 25 steps. Pressure: -49.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:47 -148.115195 0.068022 LBFGSLineSearch: 1 02:23:47 -148.115311 0.053262 LBFGSLineSearch: 2 02:23:48 -148.115574 0.054153 LBFGSLineSearch: 3 02:23:48 -148.115721 0.069182 LBFGSLineSearch: 4 02:23:49 -148.115890 0.064836 LBFGSLineSearch: 5 02:23:49 -148.116013 0.100357 LBFGSLineSearch: 6 02:23:49 -148.116198 0.038424 LBFGSLineSearch: 7 02:23:50 -148.116235 0.053542 LBFGSLineSearch: 8 02:23:50 -148.116293 0.042161 LBFGSLineSearch: 9 02:23:51 -148.116326 0.023841 LBFGSLineSearch: 10 02:23:53 -148.116362 0.023327 LBFGSLineSearch: 11 02:23:54 -148.116414 0.010134 LBFGSLineSearch: 12 02:23:54 -148.116429 0.009632 LBFGSLineSearch: 13 02:23:55 -148.116464 0.009699 LBFGSLineSearch: 14 02:23:55 -148.116482 0.006960 LBFGSLineSearch: 15 02:23:55 -148.116486 0.005141 LBFGSLineSearch: 16 02:23:56 -148.116489 0.004057 LBFGSLineSearch: 17 02:23:56 -148.116490 0.003380 LBFGSLineSearch: 18 02:23:57 -148.116490 0.001068 LBFGSLineSearch: 19 02:23:57 -148.116490 0.000813 LBFGSLineSearch: 20 02:23:58 -148.116490 0.000847 LBFGSLineSearch: 21 02:23:59 -148.116491 0.000000 Minimization converged after 21 steps. Pressure: -49.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:05 -149.071403 0.068208 LBFGSLineSearch: 1 02:24:05 -149.071519 0.053733 LBFGSLineSearch: 2 02:24:06 -149.071782 0.054702 LBFGSLineSearch: 3 02:24:06 -149.071930 0.070717 LBFGSLineSearch: 4 02:24:06 -149.072110 0.066981 LBFGSLineSearch: 5 02:24:07 -149.072233 0.112326 LBFGSLineSearch: 6 02:24:08 -149.072437 0.038231 LBFGSLineSearch: 7 02:24:08 -149.072482 0.053269 LBFGSLineSearch: 8 02:24:09 -149.072543 0.044281 LBFGSLineSearch: 9 02:24:09 -149.072582 0.025012 LBFGSLineSearch: 10 02:24:10 -149.072622 0.025933 LBFGSLineSearch: 11 02:24:11 -149.072680 0.009589 LBFGSLineSearch: 12 02:24:11 -149.072693 0.008863 LBFGSLineSearch: 13 02:24:12 -149.072724 0.007266 LBFGSLineSearch: 14 02:24:12 -149.072737 0.006987 LBFGSLineSearch: 15 02:24:12 -149.072742 0.004833 LBFGSLineSearch: 16 02:24:13 -149.072745 0.004967 LBFGSLineSearch: 17 02:24:14 -149.072748 0.002266 LBFGSLineSearch: 18 02:24:14 -149.072748 0.001040 LBFGSLineSearch: 19 02:24:14 -149.072748 0.001466 LBFGSLineSearch: 20 02:24:14 -149.072748 0.000036 LBFGSLineSearch: 21 02:24:15 -149.072748 0.000000 Minimization converged after 21 steps. Pressure: -50.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:21 -150.030374 0.068402 LBFGSLineSearch: 1 02:24:22 -150.030490 0.054175 LBFGSLineSearch: 2 02:24:22 -150.030752 0.055205 LBFGSLineSearch: 3 02:24:22 -150.030903 0.072215 LBFGSLineSearch: 4 02:24:22 -150.031093 0.068983 LBFGSLineSearch: 5 02:24:22 -150.031217 0.122804 LBFGSLineSearch: 6 02:24:23 -150.031436 0.039007 LBFGSLineSearch: 7 02:24:23 -150.031488 0.051870 LBFGSLineSearch: 8 02:24:23 -150.031551 0.046680 LBFGSLineSearch: 9 02:24:24 -150.031597 0.026647 LBFGSLineSearch: 10 02:24:24 -150.031642 0.027704 LBFGSLineSearch: 11 02:24:24 -150.031710 0.009453 LBFGSLineSearch: 12 02:24:25 -150.031721 0.008108 LBFGSLineSearch: 13 02:24:25 -150.031745 0.005834 LBFGSLineSearch: 14 02:24:26 -150.031754 0.006675 LBFGSLineSearch: 15 02:24:26 -150.031758 0.004034 LBFGSLineSearch: 16 02:24:27 -150.031762 0.005371 LBFGSLineSearch: 17 02:24:27 -150.031765 0.001781 LBFGSLineSearch: 18 02:24:27 -150.031765 0.001599 LBFGSLineSearch: 19 02:24:28 -150.031766 0.001674 LBFGSLineSearch: 20 02:24:28 -150.031766 0.000037 LBFGSLineSearch: 21 02:24:28 -150.031766 0.000000 Minimization converged after 21 steps. Pressure: -50.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:35 -150.992160 0.068600 LBFGSLineSearch: 1 02:24:35 -150.992276 0.054431 LBFGSLineSearch: 2 02:24:35 -150.992531 0.056474 LBFGSLineSearch: 3 02:24:36 -150.992677 0.071021 LBFGSLineSearch: 4 02:24:36 -150.992860 0.066815 LBFGSLineSearch: 5 02:24:37 -150.992974 0.124724 LBFGSLineSearch: 6 02:24:37 -150.993169 0.038922 LBFGSLineSearch: 7 02:24:37 -150.993223 0.043288 LBFGSLineSearch: 8 02:24:37 -150.993272 0.044542 LBFGSLineSearch: 9 02:24:38 -150.993320 0.029769 LBFGSLineSearch: 10 02:24:38 -150.993365 0.025238 LBFGSLineSearch: 11 02:24:38 -150.993430 0.010528 LBFGSLineSearch: 12 02:24:38 -150.993437 0.007105 LBFGSLineSearch: 13 02:24:39 -150.993446 0.010780 LBFGSLineSearch: 14 02:24:39 -150.993459 0.005967 LBFGSLineSearch: 15 02:24:40 -150.993462 0.002530 LBFGSLineSearch: 16 02:24:40 -150.993464 0.005343 LBFGSLineSearch: 17 02:24:40 -150.993466 0.001812 LBFGSLineSearch: 18 02:24:41 -150.993466 0.001911 LBFGSLineSearch: 19 02:24:41 -150.993467 0.000686 LBFGSLineSearch: 20 02:24:41 -150.993467 0.000058 LBFGSLineSearch: 21 02:24:42 -150.993467 0.000001 Minimization converged after 21 steps. Pressure: -51.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:47 -151.956432 0.068784 LBFGSLineSearch: 1 02:24:48 -151.956548 0.054550 LBFGSLineSearch: 2 02:24:48 -151.956790 0.062933 LBFGSLineSearch: 3 02:24:48 -151.956927 0.067823 LBFGSLineSearch: 4 02:24:49 -151.957091 0.062169 LBFGSLineSearch: 5 02:24:49 -151.957189 0.122675 LBFGSLineSearch: 6 02:24:49 -151.957348 0.039217 LBFGSLineSearch: 7 02:24:50 -151.957401 0.033243 LBFGSLineSearch: 8 02:24:50 -151.957447 0.035047 LBFGSLineSearch: 9 02:24:50 -151.957481 0.038699 LBFGSLineSearch: 10 02:24:50 -151.957519 0.012129 LBFGSLineSearch: 11 02:24:51 -151.957563 0.034469 LBFGSLineSearch: 12 02:24:51 -151.957595 0.007448 LBFGSLineSearch: 13 02:24:51 -151.957608 0.004139 LBFGSLineSearch: 14 02:24:52 -151.957611 0.003576 LBFGSLineSearch: 15 02:24:52 -151.957612 0.003361 LBFGSLineSearch: 16 02:24:52 -151.957613 0.002591 LBFGSLineSearch: 17 02:24:52 -151.957614 0.001068 LBFGSLineSearch: 18 02:24:53 -151.957614 0.001915 LBFGSLineSearch: 19 02:24:53 -151.957615 0.000424 LBFGSLineSearch: 20 02:24:54 -151.957615 0.000023 LBFGSLineSearch: 21 02:24:54 -151.957615 0.000000 Minimization converged after 21 steps. Pressure: -51.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:00 -152.922903 0.068949 LBFGSLineSearch: 1 02:25:00 -152.923018 0.054661 LBFGSLineSearch: 2 02:25:01 -152.923243 0.070772 LBFGSLineSearch: 3 02:25:01 -152.923369 0.063625 LBFGSLineSearch: 4 02:25:01 -152.923509 0.056567 LBFGSLineSearch: 5 02:25:02 -152.923590 0.117585 LBFGSLineSearch: 6 02:25:02 -152.923715 0.037688 LBFGSLineSearch: 7 02:25:02 -152.923764 0.029381 LBFGSLineSearch: 8 02:25:02 -152.923810 0.025989 LBFGSLineSearch: 9 02:25:02 -152.923842 0.019876 LBFGSLineSearch: 10 02:25:03 -152.923883 0.018874 LBFGSLineSearch: 11 02:25:03 -152.923931 0.011929 LBFGSLineSearch: 12 02:25:03 -152.923941 0.010714 LBFGSLineSearch: 13 02:25:03 -152.923953 0.004238 LBFGSLineSearch: 14 02:25:03 -152.923954 0.002915 LBFGSLineSearch: 15 02:25:04 -152.923955 0.002415 LBFGSLineSearch: 16 02:25:04 -152.923955 0.000362 LBFGSLineSearch: 17 02:25:04 -152.923955 0.000355 LBFGSLineSearch: 18 02:25:05 -152.923955 0.000435 LBFGSLineSearch: 19 02:25:05 -152.923955 0.000147 LBFGSLineSearch: 20 02:25:05 -152.923955 0.000000 Minimization converged after 20 steps. Pressure: -52.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:12 -153.891306 0.069096 LBFGSLineSearch: 1 02:25:12 -153.891420 0.054793 LBFGSLineSearch: 2 02:25:13 -153.891624 0.078823 LBFGSLineSearch: 3 02:25:13 -153.891738 0.058948 LBFGSLineSearch: 4 02:25:13 -153.891854 0.050828 LBFGSLineSearch: 5 02:25:14 -153.891921 0.110007 LBFGSLineSearch: 6 02:25:14 -153.892018 0.033806 LBFGSLineSearch: 7 02:25:14 -153.892062 0.027745 LBFGSLineSearch: 8 02:25:14 -153.892105 0.016759 LBFGSLineSearch: 9 02:25:15 -153.892129 0.023487 LBFGSLineSearch: 10 02:25:15 -153.892159 0.012390 LBFGSLineSearch: 11 02:25:15 -153.892199 0.019893 LBFGSLineSearch: 12 02:25:15 -153.892229 0.012790 LBFGSLineSearch: 13 02:25:16 -153.892243 0.010777 LBFGSLineSearch: 14 02:25:16 -153.892245 0.003308 LBFGSLineSearch: 15 02:25:16 -153.892246 0.002425 LBFGSLineSearch: 16 02:25:17 -153.892247 0.004304 LBFGSLineSearch: 17 02:25:17 -153.892248 0.001435 LBFGSLineSearch: 18 02:25:17 -153.892248 0.000477 LBFGSLineSearch: 19 02:25:18 -153.892248 0.000468 LBFGSLineSearch: 20 02:25:18 -153.892248 0.000024 LBFGSLineSearch: 21 02:25:19 -153.892248 0.000000 Minimization converged after 21 steps. Pressure: -52.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:26 -154.861448 0.069229 LBFGSLineSearch: 1 02:25:26 -154.861562 0.054932 LBFGSLineSearch: 2 02:25:26 -154.861743 0.086626 LBFGSLineSearch: 3 02:25:26 -154.861847 0.054684 LBFGSLineSearch: 4 02:25:27 -154.861942 0.045847 LBFGSLineSearch: 5 02:25:27 -154.861997 0.099578 LBFGSLineSearch: 6 02:25:27 -154.862069 0.036745 LBFGSLineSearch: 7 02:25:28 -154.862109 0.025855 LBFGSLineSearch: 8 02:25:28 -154.862147 0.013490 LBFGSLineSearch: 9 02:25:28 -154.862167 0.027126 LBFGSLineSearch: 10 02:25:28 -154.862191 0.020630 LBFGSLineSearch: 11 02:25:29 -154.862232 0.022460 LBFGSLineSearch: 12 02:25:29 -154.862263 0.011199 LBFGSLineSearch: 13 02:25:29 -154.862279 0.008217 LBFGSLineSearch: 14 02:25:30 -154.862284 0.003735 LBFGSLineSearch: 15 02:25:31 -154.862287 0.001770 LBFGSLineSearch: 16 02:25:31 -154.862287 0.002665 LBFGSLineSearch: 17 02:25:32 -154.862288 0.001329 LBFGSLineSearch: 18 02:25:32 -154.862288 0.001727 LBFGSLineSearch: 19 02:25:32 -154.862289 0.000523 LBFGSLineSearch: 20 02:25:33 -154.862289 0.000032 LBFGSLineSearch: 21 02:25:33 -154.862289 0.000000 Minimization converged after 21 steps. Pressure: -53.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:39 -155.833142 0.069347 LBFGSLineSearch: 1 02:25:39 -155.833254 0.055037 LBFGSLineSearch: 2 02:25:40 -155.833413 0.093927 LBFGSLineSearch: 3 02:25:40 -155.833509 0.051077 LBFGSLineSearch: 4 02:25:40 -155.833585 0.041663 LBFGSLineSearch: 5 02:25:40 -155.833631 0.088030 LBFGSLineSearch: 6 02:25:41 -155.833684 0.039715 LBFGSLineSearch: 7 02:25:41 -155.833720 0.024107 LBFGSLineSearch: 8 02:25:41 -155.833753 0.012643 LBFGSLineSearch: 9 02:25:41 -155.833778 0.017850 LBFGSLineSearch: 10 02:25:41 -155.833791 0.015651 LBFGSLineSearch: 11 02:25:42 -155.833829 0.019105 LBFGSLineSearch: 12 02:25:42 -155.833866 0.013064 LBFGSLineSearch: 13 02:25:42 -155.833884 0.009636 LBFGSLineSearch: 14 02:25:43 -155.833892 0.004233 LBFGSLineSearch: 15 02:25:43 -155.833897 0.005783 LBFGSLineSearch: 16 02:25:43 -155.833898 0.003283 LBFGSLineSearch: 17 02:25:43 -155.833899 0.001844 LBFGSLineSearch: 18 02:25:44 -155.833900 0.002198 LBFGSLineSearch: 19 02:25:44 -155.833900 0.004215 LBFGSLineSearch: 20 02:25:44 -155.833902 0.002877 LBFGSLineSearch: 21 02:25:44 -155.833902 0.001203 LBFGSLineSearch: 22 02:25:44 -155.833902 0.000008 Minimization converged after 22 steps. Pressure: -53.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:51 -156.806254 0.069458 LBFGSLineSearch: 1 02:25:51 -156.806366 0.055087 LBFGSLineSearch: 2 02:25:51 -156.806503 0.100687 LBFGSLineSearch: 3 02:25:52 -156.806593 0.048158 LBFGSLineSearch: 4 02:25:52 -156.806655 0.038289 LBFGSLineSearch: 5 02:25:52 -156.806693 0.076973 LBFGSLineSearch: 6 02:25:53 -156.806733 0.041451 LBFGSLineSearch: 7 02:25:53 -156.806765 0.023724 LBFGSLineSearch: 8 02:25:54 -156.806795 0.011954 LBFGSLineSearch: 9 02:25:54 -156.806816 0.010512 LBFGSLineSearch: 10 02:25:54 -156.806826 0.039780 LBFGSLineSearch: 11 02:25:55 -156.806855 0.018746 LBFGSLineSearch: 12 02:25:55 -156.806899 0.026998 LBFGSLineSearch: 13 02:25:56 -156.806924 0.016980 LBFGSLineSearch: 14 02:25:56 -156.806943 0.004461 LBFGSLineSearch: 15 02:25:56 -156.806947 0.005180 LBFGSLineSearch: 16 02:25:56 -156.806955 0.004953 LBFGSLineSearch: 17 02:25:57 -156.806957 0.002819 LBFGSLineSearch: 18 02:25:57 -156.806958 0.003105 LBFGSLineSearch: 19 02:25:58 -156.806961 0.005316 LBFGSLineSearch: 20 02:25:58 -156.806963 0.001520 LBFGSLineSearch: 21 02:25:59 -156.806963 0.000169 LBFGSLineSearch: 22 02:25:59 -156.806963 0.000003 Minimization converged after 22 steps. Pressure: -54.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:05 -157.780725 0.069555 LBFGSLineSearch: 1 02:26:05 -157.780835 0.055019 LBFGSLineSearch: 2 02:26:07 -157.780951 0.107008 LBFGSLineSearch: 3 02:26:07 -157.781037 0.047180 LBFGSLineSearch: 4 02:26:07 -157.781089 0.035454 LBFGSLineSearch: 5 02:26:08 -157.781121 0.066179 LBFGSLineSearch: 6 02:26:08 -157.781151 0.042159 LBFGSLineSearch: 7 02:26:09 -157.781180 0.024422 LBFGSLineSearch: 8 02:26:09 -157.781207 0.011459 LBFGSLineSearch: 9 02:26:10 -157.781222 0.020209 LBFGSLineSearch: 10 02:26:10 -157.781238 0.020372 LBFGSLineSearch: 11 02:26:10 -157.781297 0.018484 LBFGSLineSearch: 12 02:26:11 -157.781342 0.022126 LBFGSLineSearch: 13 02:26:11 -157.781374 0.014503 LBFGSLineSearch: 14 02:26:11 -157.781383 0.006346 LBFGSLineSearch: 15 02:26:12 -157.781388 0.005518 LBFGSLineSearch: 16 02:26:12 -157.781397 0.013811 LBFGSLineSearch: 17 02:26:12 -157.781413 0.004428 LBFGSLineSearch: 18 02:26:13 -157.781421 0.008991 LBFGSLineSearch: 19 02:26:13 -157.781426 0.004098 LBFGSLineSearch: 20 02:26:14 -157.781427 0.000913 LBFGSLineSearch: 21 02:26:14 -157.781427 0.000015 LBFGSLineSearch: 22 02:26:14 -157.781427 0.000001 Minimization converged after 22 steps. Pressure: -54.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:20 -158.756610 0.069657 LBFGSLineSearch: 1 02:26:21 -158.756720 0.054787 LBFGSLineSearch: 2 02:26:21 -158.756840 0.070087 LBFGSLineSearch: 3 02:26:21 -158.756905 0.039461 LBFGSLineSearch: 4 02:26:21 -158.756942 0.032891 LBFGSLineSearch: 5 02:26:22 -158.756974 0.055458 LBFGSLineSearch: 6 02:26:22 -158.756999 0.033711 LBFGSLineSearch: 7 02:26:22 -158.757028 0.011673 LBFGSLineSearch: 8 02:26:23 -158.757055 0.021612 LBFGSLineSearch: 9 02:26:23 -158.757063 0.013809 LBFGSLineSearch: 10 02:26:23 -158.757133 0.025984 LBFGSLineSearch: 11 02:26:24 -158.757187 0.033516 LBFGSLineSearch: 12 02:26:24 -158.757277 0.019235 LBFGSLineSearch: 13 02:26:25 -158.757294 0.012207 LBFGSLineSearch: 14 02:26:25 -158.757375 0.019999 LBFGSLineSearch: 15 02:26:26 -158.757406 0.012530 LBFGSLineSearch: 16 02:26:26 -158.757458 0.013655 LBFGSLineSearch: 17 02:26:28 -158.901377 0.645180 LBFGSLineSearch: 18 02:26:28 -158.901377 0.645236 LBFGSLineSearch: 19 02:26:29 -158.906327 0.412810 LBFGSLineSearch: 20 02:26:29 -158.910031 0.116942 LBFGSLineSearch: 21 02:26:30 -158.910612 0.074029 LBFGSLineSearch: 22 02:26:30 -158.910850 0.044417 LBFGSLineSearch: 23 02:26:31 -158.911071 0.088923 LBFGSLineSearch: 24 02:26:31 -158.913949 0.418021 LBFGSLineSearch: 25 02:26:31 -158.967231 2.059553 LBFGSLineSearch: 26 02:26:32 -158.972778 2.484829 LBFGSLineSearch: 27 02:26:32 -159.121374 1.474148 LBFGSLineSearch: 28 02:26:33 -159.223629 1.325911 LBFGSLineSearch: 29 02:26:34 -159.279368 1.499940 LBFGSLineSearch: 30 02:26:34 -159.348324 2.727424 LBFGSLineSearch: 31 02:26:35 -159.396083 1.645821 LBFGSLineSearch: 32 02:26:35 -159.411152 0.223033 LBFGSLineSearch: 33 02:26:35 -159.412939 0.119725 LBFGSLineSearch: 34 02:26:36 -159.413597 0.077446 LBFGSLineSearch: 35 02:26:36 -159.413924 0.044561 LBFGSLineSearch: 36 02:26:36 -159.414397 0.135764 LBFGSLineSearch: 37 02:26:37 -159.415148 0.080334 LBFGSLineSearch: 38 02:26:37 -159.415250 0.020373 LBFGSLineSearch: 39 02:26:37 -159.415272 0.012318 LBFGSLineSearch: 40 02:26:38 -159.415275 0.005228 LBFGSLineSearch: 41 02:26:38 -159.415275 0.002397 LBFGSLineSearch: 42 02:26:38 -159.415275 0.000988 LBFGSLineSearch: 43 02:26:39 -159.415275 0.000405 LBFGSLineSearch: 44 02:26:39 -159.415275 0.000135 LBFGSLineSearch: 45 02:26:40 -159.415275 0.000007 Minimization converged after 45 steps. Pressure: -55.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:47 -160.387110 0.069415 LBFGSLineSearch: 1 02:26:48 -160.387219 0.039945 LBFGSLineSearch: 2 02:26:48 -160.387291 0.051420 LBFGSLineSearch: 3 02:26:48 -160.387333 0.048584 LBFGSLineSearch: 4 02:26:48 -160.387387 0.039329 LBFGSLineSearch: 5 02:26:49 -160.387415 0.036992 LBFGSLineSearch: 6 02:26:50 -160.387456 0.023064 LBFGSLineSearch: 7 02:26:50 -160.387472 0.024628 LBFGSLineSearch: 8 02:26:51 -160.387485 0.010028 LBFGSLineSearch: 9 02:26:51 -160.387498 0.012397 LBFGSLineSearch: 10 02:26:52 -160.387502 0.008590 LBFGSLineSearch: 11 02:26:52 -160.387508 0.006497 LBFGSLineSearch: 12 02:26:52 -160.387511 0.004577 LBFGSLineSearch: 13 02:26:53 -160.387512 0.001410 LBFGSLineSearch: 14 02:26:54 -160.387513 0.000679 LBFGSLineSearch: 15 02:26:54 -160.387513 0.000340 LBFGSLineSearch: 16 02:26:55 -160.387513 0.000324 LBFGSLineSearch: 17 02:26:55 -160.387513 0.000584 LBFGSLineSearch: 18 02:26:56 -160.387513 0.000284 LBFGSLineSearch: 19 02:26:56 -160.387513 0.000040 LBFGSLineSearch: 20 02:26:57 -160.387513 0.000002 Minimization converged after 20 steps. Pressure: -55.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:03 -161.360149 0.069474 LBFGSLineSearch: 1 02:27:03 -161.360258 0.040306 LBFGSLineSearch: 2 02:27:04 -161.360328 0.050704 LBFGSLineSearch: 3 02:27:04 -161.360369 0.048110 LBFGSLineSearch: 4 02:27:05 -161.360423 0.039631 LBFGSLineSearch: 5 02:27:05 -161.360449 0.034709 LBFGSLineSearch: 6 02:27:05 -161.360487 0.020274 LBFGSLineSearch: 7 02:27:05 -161.360503 0.021327 LBFGSLineSearch: 8 02:27:06 -161.360512 0.011994 LBFGSLineSearch: 9 02:27:06 -161.360525 0.008483 LBFGSLineSearch: 10 02:27:06 -161.360529 0.014473 LBFGSLineSearch: 11 02:27:07 -161.360534 0.007733 LBFGSLineSearch: 12 02:27:07 -161.360536 0.005384 LBFGSLineSearch: 13 02:27:07 -161.360538 0.002770 LBFGSLineSearch: 14 02:27:07 -161.360539 0.001479 LBFGSLineSearch: 15 02:27:08 -161.360539 0.001102 LBFGSLineSearch: 16 02:27:08 -161.360539 0.001059 LBFGSLineSearch: 17 02:27:08 -161.360540 0.000236 LBFGSLineSearch: 18 02:27:09 -161.360540 0.000221 LBFGSLineSearch: 19 02:27:09 -161.360540 0.000249 LBFGSLineSearch: 20 02:27:09 -161.360540 0.000223 LBFGSLineSearch: 21 02:27:10 -161.360540 0.000072 LBFGSLineSearch: 22 02:27:10 -161.360540 0.000000 Minimization converged after 22 steps. Pressure: -56.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:17 -162.333952 0.069530 LBFGSLineSearch: 1 02:27:18 -162.334060 0.040878 LBFGSLineSearch: 2 02:27:19 -162.334128 0.050028 LBFGSLineSearch: 3 02:27:20 -162.334168 0.047712 LBFGSLineSearch: 4 02:27:20 -162.334222 0.039995 LBFGSLineSearch: 5 02:27:21 -162.334246 0.032479 LBFGSLineSearch: 6 02:27:21 -162.334283 0.017900 LBFGSLineSearch: 7 02:27:21 -162.334298 0.018031 LBFGSLineSearch: 8 02:27:22 -162.334306 0.007946 LBFGSLineSearch: 9 02:27:22 -162.334315 0.019410 LBFGSLineSearch: 10 02:27:22 -162.334323 0.006120 LBFGSLineSearch: 11 02:27:23 -162.334327 0.008467 LBFGSLineSearch: 12 02:27:23 -162.334330 0.001524 LBFGSLineSearch: 13 02:27:23 -162.334331 0.001475 LBFGSLineSearch: 14 02:27:23 -162.334331 0.000276 LBFGSLineSearch: 15 02:27:23 -162.334331 0.000471 LBFGSLineSearch: 16 02:27:24 -162.334331 0.000195 LBFGSLineSearch: 17 02:27:24 -162.334331 0.000438 LBFGSLineSearch: 18 02:27:24 -162.334331 0.000226 LBFGSLineSearch: 19 02:27:24 -162.334331 0.000007 Minimization converged after 19 steps. Pressure: -56.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:31 -163.308498 0.069587 LBFGSLineSearch: 1 02:27:31 -163.308605 0.041440 LBFGSLineSearch: 2 02:27:32 -163.308671 0.049401 LBFGSLineSearch: 3 02:27:33 -163.308710 0.047340 LBFGSLineSearch: 4 02:27:33 -163.308764 0.040381 LBFGSLineSearch: 5 02:27:34 -163.308786 0.030375 LBFGSLineSearch: 6 02:27:34 -163.308821 0.016012 LBFGSLineSearch: 7 02:27:35 -163.308836 0.014805 LBFGSLineSearch: 8 02:27:37 -163.308841 0.008451 LBFGSLineSearch: 9 02:27:37 -163.308847 0.013234 LBFGSLineSearch: 10 02:27:38 -163.308855 0.013997 LBFGSLineSearch: 11 02:27:38 -163.308861 0.006715 LBFGSLineSearch: 12 02:27:39 -163.308864 0.006137 LBFGSLineSearch: 13 02:27:39 -163.308866 0.001287 LBFGSLineSearch: 14 02:27:40 -163.308866 0.000873 LBFGSLineSearch: 15 02:27:40 -163.308866 0.000312 LBFGSLineSearch: 16 02:27:40 -163.308866 0.000155 LBFGSLineSearch: 17 02:27:40 -163.308866 0.000178 LBFGSLineSearch: 18 02:27:41 -163.308866 0.000078 LBFGSLineSearch: 19 02:27:41 -163.308866 0.000043 LBFGSLineSearch: 20 02:27:42 -163.308866 0.000006 Minimization converged after 20 steps. Pressure: -57.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:47 -164.283767 0.069638 LBFGSLineSearch: 1 02:27:48 -164.283873 0.041994 LBFGSLineSearch: 2 02:27:49 -164.283937 0.048806 LBFGSLineSearch: 3 02:27:50 -164.283975 0.047049 LBFGSLineSearch: 4 02:27:50 -164.284029 0.040788 LBFGSLineSearch: 5 02:27:51 -164.284050 0.028565 LBFGSLineSearch: 6 02:27:51 -164.284084 0.014139 LBFGSLineSearch: 7 02:27:51 -164.284097 0.011741 LBFGSLineSearch: 8 02:27:52 -164.284102 0.008583 LBFGSLineSearch: 9 02:27:52 -164.284107 0.014596 LBFGSLineSearch: 10 02:27:52 -164.284115 0.016485 LBFGSLineSearch: 11 02:27:53 -164.284121 0.006508 LBFGSLineSearch: 12 02:27:53 -164.284124 0.007333 LBFGSLineSearch: 13 02:27:53 -164.284125 0.001241 LBFGSLineSearch: 14 02:27:54 -164.284126 0.000813 LBFGSLineSearch: 15 02:27:54 -164.284126 0.000277 LBFGSLineSearch: 16 02:27:54 -164.284126 0.000148 LBFGSLineSearch: 17 02:27:55 -164.284126 0.000029 LBFGSLineSearch: 18 02:27:56 -164.284126 0.000029 LBFGSLineSearch: 19 02:27:56 -164.284126 0.000004 Minimization converged after 19 steps. Pressure: -57.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:03 -165.259742 0.069689 LBFGSLineSearch: 1 02:28:03 -165.259848 0.042559 LBFGSLineSearch: 2 02:28:04 -165.259911 0.048254 LBFGSLineSearch: 3 02:28:04 -165.259948 0.046772 LBFGSLineSearch: 4 02:28:05 -165.260002 0.041223 LBFGSLineSearch: 5 02:28:05 -165.260021 0.029167 LBFGSLineSearch: 6 02:28:05 -165.260054 0.013848 LBFGSLineSearch: 7 02:28:05 -165.260066 0.009337 LBFGSLineSearch: 8 02:28:06 -165.260069 0.008342 LBFGSLineSearch: 9 02:28:06 -165.260076 0.010357 LBFGSLineSearch: 10 02:28:07 -165.260083 0.013370 LBFGSLineSearch: 11 02:28:07 -165.260088 0.006799 LBFGSLineSearch: 12 02:28:08 -165.260092 0.006219 LBFGSLineSearch: 13 02:28:08 -165.260093 0.001189 LBFGSLineSearch: 14 02:28:08 -165.260094 0.002156 LBFGSLineSearch: 15 02:28:09 -165.260094 0.000898 LBFGSLineSearch: 16 02:28:09 -165.260094 0.000190 LBFGSLineSearch: 17 02:28:10 -165.260094 0.000094 LBFGSLineSearch: 18 02:28:10 -165.260094 0.000021 LBFGSLineSearch: 19 02:28:10 -165.260094 0.000000 Minimization converged after 19 steps. Pressure: -58.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:17 -166.236410 0.069737 LBFGSLineSearch: 1 02:28:17 -166.236515 0.043105 LBFGSLineSearch: 2 02:28:18 -166.236576 0.047743 LBFGSLineSearch: 3 02:28:18 -166.236613 0.046505 LBFGSLineSearch: 4 02:28:18 -166.236666 0.041639 LBFGSLineSearch: 5 02:28:18 -166.236684 0.029755 LBFGSLineSearch: 6 02:28:19 -166.236717 0.013923 LBFGSLineSearch: 7 02:28:19 -166.236727 0.008497 LBFGSLineSearch: 8 02:28:20 -166.236730 0.008131 LBFGSLineSearch: 9 02:28:20 -166.236741 0.012576 LBFGSLineSearch: 10 02:28:20 -166.236749 0.009259 LBFGSLineSearch: 11 02:28:21 -166.236750 0.008273 LBFGSLineSearch: 12 02:28:21 -166.236754 0.001259 LBFGSLineSearch: 13 02:28:22 -166.236754 0.001172 LBFGSLineSearch: 14 02:28:22 -166.236754 0.001742 LBFGSLineSearch: 15 02:28:22 -166.236754 0.000269 LBFGSLineSearch: 16 02:28:23 -166.236754 0.000103 LBFGSLineSearch: 17 02:28:23 -166.236754 0.000068 LBFGSLineSearch: 18 02:28:24 -166.236754 0.000017 LBFGSLineSearch: 19 02:28:24 -166.236754 0.000000 Minimization converged after 19 steps. Pressure: -58.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:31 -167.213757 0.069786 LBFGSLineSearch: 1 02:28:31 -167.213860 0.043649 LBFGSLineSearch: 2 02:28:31 -167.213921 0.047266 LBFGSLineSearch: 3 02:28:32 -167.213957 0.046248 LBFGSLineSearch: 4 02:28:32 -167.214009 0.042044 LBFGSLineSearch: 5 02:28:32 -167.214026 0.030326 LBFGSLineSearch: 6 02:28:33 -167.214058 0.014354 LBFGSLineSearch: 7 02:28:33 -167.214067 0.010872 LBFGSLineSearch: 8 02:28:33 -167.214070 0.008397 LBFGSLineSearch: 9 02:28:34 -167.214076 0.008333 LBFGSLineSearch: 10 02:28:34 -167.214081 0.019907 LBFGSLineSearch: 11 02:28:34 -167.214088 0.007234 LBFGSLineSearch: 12 02:28:35 -167.214092 0.005764 LBFGSLineSearch: 13 02:28:35 -167.214094 0.001220 LBFGSLineSearch: 14 02:28:36 -167.214094 0.000985 LBFGSLineSearch: 15 02:28:36 -167.214094 0.000785 LBFGSLineSearch: 16 02:28:37 -167.214094 0.000274 LBFGSLineSearch: 17 02:28:37 -167.214094 0.000514 LBFGSLineSearch: 18 02:28:38 -167.214094 0.000108 LBFGSLineSearch: 19 02:28:38 -167.214094 0.000208 LBFGSLineSearch: 20 02:28:39 -167.214094 0.000128 LBFGSLineSearch: 21 02:28:39 -167.214094 0.000011 LBFGSLineSearch: 22 02:28:40 -167.214094 0.000000 Minimization converged after 22 steps. Pressure: -59.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:46 -168.191770 0.069834 LBFGSLineSearch: 1 02:28:46 -168.191873 0.044186 LBFGSLineSearch: 2 02:28:46 -168.191932 0.046819 LBFGSLineSearch: 3 02:28:46 -168.191967 0.045995 LBFGSLineSearch: 4 02:28:47 -168.192019 0.042431 LBFGSLineSearch: 5 02:28:47 -168.192036 0.030871 LBFGSLineSearch: 6 02:28:47 -168.192067 0.015097 LBFGSLineSearch: 7 02:28:47 -168.192073 0.014226 LBFGSLineSearch: 8 02:28:48 -168.192077 0.008981 LBFGSLineSearch: 9 02:28:48 -168.192082 0.013531 LBFGSLineSearch: 10 02:28:48 -168.192087 0.013928 LBFGSLineSearch: 11 02:28:48 -168.192096 0.007860 LBFGSLineSearch: 12 02:28:49 -168.192100 0.003936 LBFGSLineSearch: 13 02:28:49 -168.192101 0.001641 LBFGSLineSearch: 14 02:28:49 -168.192101 0.000990 LBFGSLineSearch: 15 02:28:50 -168.192101 0.001225 LBFGSLineSearch: 16 02:28:50 -168.192101 0.000262 LBFGSLineSearch: 17 02:28:50 -168.192101 0.000155 LBFGSLineSearch: 18 02:28:50 -168.192101 0.000243 LBFGSLineSearch: 19 02:28:51 -168.192101 0.000068 LBFGSLineSearch: 20 02:28:51 -168.192101 0.000004 Minimization converged after 20 steps. Pressure: -59.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:58 -169.170439 0.069883 LBFGSLineSearch: 1 02:28:58 -169.170541 0.044718 LBFGSLineSearch: 2 02:28:59 -169.170599 0.046406 LBFGSLineSearch: 3 02:28:59 -169.170634 0.045735 LBFGSLineSearch: 4 02:28:59 -169.170685 0.042791 LBFGSLineSearch: 5 02:29:00 -169.170701 0.031386 LBFGSLineSearch: 6 02:29:00 -169.170731 0.016087 LBFGSLineSearch: 7 02:29:01 -169.170737 0.013438 LBFGSLineSearch: 8 02:29:01 -169.170741 0.008389 LBFGSLineSearch: 9 02:29:01 -169.170744 0.016725 LBFGSLineSearch: 10 02:29:02 -169.170752 0.008457 LBFGSLineSearch: 11 02:29:02 -169.170758 0.005936 LBFGSLineSearch: 12 02:29:03 -169.170762 0.007117 LBFGSLineSearch: 13 02:29:03 -169.170764 0.004945 LBFGSLineSearch: 14 02:29:03 -169.170765 0.001430 LBFGSLineSearch: 15 02:29:03 -169.170765 0.000936 LBFGSLineSearch: 16 02:29:04 -169.170765 0.001281 LBFGSLineSearch: 17 02:29:04 -169.170765 0.000257 LBFGSLineSearch: 18 02:29:05 -169.170765 0.000213 LBFGSLineSearch: 19 02:29:05 -169.170765 0.000195 LBFGSLineSearch: 20 02:29:06 -169.170765 0.000182 LBFGSLineSearch: 21 02:29:06 -169.170765 0.000255 LBFGSLineSearch: 22 02:29:06 -169.170765 0.000228 LBFGSLineSearch: 23 02:29:06 -169.170765 0.000078 LBFGSLineSearch: 24 02:29:07 -169.170765 0.000004 Minimization converged after 24 steps. Pressure: -60.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:29:13 -170.149754 0.069931 LBFGSLineSearch: 1 02:29:14 -170.149855 0.045249 LBFGSLineSearch: 2 02:29:14 -170.149912 0.046022 LBFGSLineSearch: 3 02:29:15 -170.149947 0.045460 LBFGSLineSearch: 4 02:29:15 -170.149996 0.043118 LBFGSLineSearch: 5 02:29:15 -170.150012 0.031868 LBFGSLineSearch: 6 02:29:16 -170.150042 0.017265 LBFGSLineSearch: 7 02:29:16 -170.150047 0.013698 LBFGSLineSearch: 8 02:29:16 -170.150051 0.014710 LBFGSLineSearch: 9 02:29:17 -170.150054 0.010120 LBFGSLineSearch: 10 02:29:17 -170.150061 0.007675 LBFGSLineSearch: 11 02:29:18 -170.150070 0.009547 LBFGSLineSearch: 12 02:29:18 -170.150073 0.005107 LBFGSLineSearch: 13 02:29:19 -170.150075 0.001078 LBFGSLineSearch: 14 02:29:19 -170.150075 0.001420 LBFGSLineSearch: 15 02:29:19 -170.150075 0.000387 LBFGSLineSearch: 16 02:29:20 -170.150075 0.000254 LBFGSLineSearch: 17 02:29:20 -170.150075 0.000387 LBFGSLineSearch: 18 02:29:20 -170.150075 0.000079 LBFGSLineSearch: 19 02:29:21 -170.150075 0.000000 Minimization converged after 19 steps. Pressure: -60.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:29:27 -171.129706 0.069974 LBFGSLineSearch: 1 02:29:28 -171.129807 0.045772 LBFGSLineSearch: 2 02:29:28 -171.129864 0.045669 LBFGSLineSearch: 3 02:29:29 -171.129898 0.045166 LBFGSLineSearch: 4 02:29:29 -171.129946 0.043399 LBFGSLineSearch: 5 02:29:30 -171.129961 0.032316 LBFGSLineSearch: 6 02:29:30 -171.129990 0.018589 LBFGSLineSearch: 7 02:29:30 -171.129995 0.013668 LBFGSLineSearch: 8 02:29:30 -171.129999 0.011908 LBFGSLineSearch: 9 02:29:31 -171.130003 0.009280 LBFGSLineSearch: 10 02:29:31 -171.130009 0.006069 LBFGSLineSearch: 11 02:29:31 -171.130017 0.007181 LBFGSLineSearch: 12 02:29:32 -171.130021 0.007671 LBFGSLineSearch: 13 02:29:32 -171.130023 0.004959 LBFGSLineSearch: 14 02:29:32 -171.130024 0.001445 LBFGSLineSearch: 15 02:29:32 -171.130024 0.000915 LBFGSLineSearch: 16 02:29:33 -171.130024 0.001099 LBFGSLineSearch: 17 02:29:33 -171.130024 0.000354 LBFGSLineSearch: 18 02:29:33 -171.130024 0.000286 LBFGSLineSearch: 19 02:29:34 -171.130024 0.000344 LBFGSLineSearch: 20 02:29:34 -171.130024 0.000030 LBFGSLineSearch: 21 02:29:34 -171.130024 0.000002 Minimization converged after 21 steps. Pressure: -61.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:29:40 -172.110289 0.070020 LBFGSLineSearch: 1 02:29:41 -172.110389 0.046298 LBFGSLineSearch: 2 02:29:41 -172.110445 0.045342 LBFGSLineSearch: 3 02:29:41 -172.110479 0.044847 LBFGSLineSearch: 4 02:29:42 -172.110525 0.043635 LBFGSLineSearch: 5 02:29:42 -172.110541 0.032732 LBFGSLineSearch: 6 02:29:43 -172.110568 0.020023 LBFGSLineSearch: 7 02:29:43 -172.110574 0.013600 LBFGSLineSearch: 8 02:29:43 -172.110578 0.011251 LBFGSLineSearch: 9 02:29:44 -172.110581 0.008601 LBFGSLineSearch: 10 02:29:44 -172.110590 0.010130 LBFGSLineSearch: 11 02:29:44 -172.110597 0.009279 LBFGSLineSearch: 12 02:29:44 -172.110601 0.004815 LBFGSLineSearch: 13 02:29:45 -172.110602 0.002040 LBFGSLineSearch: 14 02:29:45 -172.110603 0.000907 LBFGSLineSearch: 15 02:29:46 -172.110603 0.001094 LBFGSLineSearch: 16 02:29:46 -172.110603 0.000415 LBFGSLineSearch: 17 02:29:47 -172.110603 0.000365 LBFGSLineSearch: 18 02:29:47 -172.110603 0.000121 LBFGSLineSearch: 19 02:29:47 -172.110603 0.000000 Minimization converged after 19 steps. Pressure: -61.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:29:53 -173.091495 0.070064 LBFGSLineSearch: 1 02:29:53 -173.091595 0.046815 LBFGSLineSearch: 2 02:29:54 -173.091650 0.045041 LBFGSLineSearch: 3 02:29:54 -173.091684 0.044494 LBFGSLineSearch: 4 02:29:55 -173.091728 0.043804 LBFGSLineSearch: 5 02:29:55 -173.091744 0.033109 LBFGSLineSearch: 6 02:29:55 -173.091770 0.021553 LBFGSLineSearch: 7 02:29:56 -173.091776 0.013594 LBFGSLineSearch: 8 02:29:56 -173.091780 0.012157 LBFGSLineSearch: 9 02:29:57 -173.091784 0.007691 LBFGSLineSearch: 10 02:29:57 -173.091796 0.010410 LBFGSLineSearch: 11 02:29:57 -173.091800 0.009757 LBFGSLineSearch: 12 02:29:58 -173.091805 0.006063 LBFGSLineSearch: 13 02:29:58 -173.091806 0.001733 LBFGSLineSearch: 14 02:29:59 -173.091806 0.000894 LBFGSLineSearch: 15 02:29:59 -173.091806 0.001698 LBFGSLineSearch: 16 02:29:59 -173.091806 0.000513 LBFGSLineSearch: 17 02:30:00 -173.091806 0.000381 LBFGSLineSearch: 18 02:30:01 -173.091806 0.000120 LBFGSLineSearch: 19 02:30:02 -173.091806 0.000001 Minimization converged after 19 steps. Pressure: -62.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:30:09 -174.073319 0.070108 LBFGSLineSearch: 1 02:30:09 -174.073418 0.047335 LBFGSLineSearch: 2 02:30:10 -174.073473 0.044766 LBFGSLineSearch: 3 02:30:11 -174.073506 0.044107 LBFGSLineSearch: 4 02:30:12 -174.073549 0.043911 LBFGSLineSearch: 5 02:30:12 -174.073565 0.033460 LBFGSLineSearch: 6 02:30:13 -174.073590 0.023164 LBFGSLineSearch: 7 02:30:13 -174.073596 0.013667 LBFGSLineSearch: 8 02:30:13 -174.073601 0.013257 LBFGSLineSearch: 9 02:30:14 -174.073604 0.006432 LBFGSLineSearch: 10 02:30:14 -174.073618 0.009733 LBFGSLineSearch: 11 02:30:14 -174.073622 0.009223 LBFGSLineSearch: 12 02:30:15 -174.073626 0.004106 LBFGSLineSearch: 13 02:30:15 -174.073627 0.003413 LBFGSLineSearch: 14 02:30:15 -174.073627 0.000924 LBFGSLineSearch: 15 02:30:16 -174.073627 0.001381 LBFGSLineSearch: 16 02:30:16 -174.073627 0.000497 LBFGSLineSearch: 17 02:30:17 -174.073627 0.000501 LBFGSLineSearch: 18 02:30:17 -174.073628 0.000401 LBFGSLineSearch: 19 02:30:18 -174.073628 0.000109 LBFGSLineSearch: 20 02:30:19 -174.073628 0.000001 Minimization converged after 20 steps. Pressure: -62.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:30:26 -175.055756 0.070152 LBFGSLineSearch: 1 02:30:26 -175.055855 0.047857 LBFGSLineSearch: 2 02:30:26 -175.055909 0.044517 LBFGSLineSearch: 3 02:30:27 -175.055942 0.043676 LBFGSLineSearch: 4 02:30:27 -175.055984 0.043945 LBFGSLineSearch: 5 02:30:28 -175.056000 0.033781 LBFGSLineSearch: 6 02:30:28 -175.056023 0.024846 LBFGSLineSearch: 7 02:30:29 -175.056030 0.013803 LBFGSLineSearch: 8 02:30:29 -175.056034 0.014564 LBFGSLineSearch: 9 02:30:29 -175.056037 0.006112 LBFGSLineSearch: 10 02:30:30 -175.056048 0.015017 LBFGSLineSearch: 11 02:30:30 -175.056055 0.010117 LBFGSLineSearch: 12 02:30:31 -175.056059 0.007649 LBFGSLineSearch: 13 02:30:31 -175.056061 0.003795 LBFGSLineSearch: 14 02:30:32 -175.056062 0.001272 LBFGSLineSearch: 15 02:30:32 -175.056062 0.000851 LBFGSLineSearch: 16 02:30:33 -175.056062 0.001616 LBFGSLineSearch: 17 02:30:33 -175.056062 0.000613 LBFGSLineSearch: 18 02:30:34 -175.056062 0.000507 LBFGSLineSearch: 19 02:30:34 -175.056062 0.000328 LBFGSLineSearch: 20 02:30:35 -175.056062 0.000014 LBFGSLineSearch: 21 02:30:35 -175.056062 0.000000 Minimization converged after 21 steps. Pressure: -63.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:30:42 -176.038803 0.070196 LBFGSLineSearch: 1 02:30:42 -176.038901 0.048379 LBFGSLineSearch: 2 02:30:42 -176.038955 0.044291 LBFGSLineSearch: 3 02:30:43 -176.038988 0.043198 LBFGSLineSearch: 4 02:30:43 -176.039027 0.043894 LBFGSLineSearch: 5 02:30:43 -176.039044 0.034073 LBFGSLineSearch: 6 02:30:44 -176.039065 0.026598 LBFGSLineSearch: 7 02:30:44 -176.039073 0.013983 LBFGSLineSearch: 8 02:30:44 -176.039078 0.016055 LBFGSLineSearch: 9 02:30:44 -176.039081 0.006324 LBFGSLineSearch: 10 02:30:45 -176.039088 0.013625 LBFGSLineSearch: 11 02:30:45 -176.039096 0.010866 LBFGSLineSearch: 12 02:30:46 -176.039103 0.008289 LBFGSLineSearch: 13 02:30:46 -176.039105 0.005725 LBFGSLineSearch: 14 02:30:46 -176.039106 0.001568 LBFGSLineSearch: 15 02:30:47 -176.039107 0.000879 LBFGSLineSearch: 16 02:30:47 -176.039107 0.001187 LBFGSLineSearch: 17 02:30:47 -176.039107 0.000490 LBFGSLineSearch: 18 02:30:48 -176.039107 0.000576 LBFGSLineSearch: 19 02:30:48 -176.039107 0.000437 LBFGSLineSearch: 20 02:30:48 -176.039107 0.000281 LBFGSLineSearch: 21 02:30:49 -176.039107 0.000136 LBFGSLineSearch: 22 02:30:49 -176.039107 0.000032 LBFGSLineSearch: 23 02:30:49 -176.039107 0.000000 Minimization converged after 23 steps. Pressure: -63.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:30:57 -177.022456 0.070239 LBFGSLineSearch: 1 02:30:57 -177.022553 0.048907 LBFGSLineSearch: 2 02:30:58 -177.022607 0.044093 LBFGSLineSearch: 3 02:30:58 -177.022640 0.042668 LBFGSLineSearch: 4 02:30:59 -177.022678 0.043751 LBFGSLineSearch: 5 02:30:59 -177.022695 0.034336 LBFGSLineSearch: 6 02:31:00 -177.022714 0.028410 LBFGSLineSearch: 7 02:31:00 -177.022723 0.014183 LBFGSLineSearch: 8 02:31:00 -177.022728 0.017705 LBFGSLineSearch: 9 02:31:01 -177.022731 0.007027 LBFGSLineSearch: 10 02:31:01 -177.022735 0.005637 LBFGSLineSearch: 11 02:31:01 -177.022744 0.010919 LBFGSLineSearch: 12 02:31:01 -177.022753 0.009266 LBFGSLineSearch: 13 02:31:02 -177.022757 0.006829 LBFGSLineSearch: 14 02:31:02 -177.022758 0.003734 LBFGSLineSearch: 15 02:31:02 -177.022759 0.001443 LBFGSLineSearch: 16 02:31:02 -177.022759 0.000835 LBFGSLineSearch: 17 02:31:03 -177.022759 0.001328 LBFGSLineSearch: 18 02:31:03 -177.022759 0.000926 LBFGSLineSearch: 19 02:31:03 -177.022759 0.000552 LBFGSLineSearch: 20 02:31:04 -177.022759 0.000424 LBFGSLineSearch: 21 02:31:04 -177.022759 0.000110 LBFGSLineSearch: 22 02:31:05 -177.022759 0.000120 LBFGSLineSearch: 23 02:31:05 -177.022759 0.000032 LBFGSLineSearch: 24 02:31:06 -177.022759 0.000003 Minimization converged after 24 steps. Pressure: -64.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:31:13 -178.006716 0.070284 LBFGSLineSearch: 1 02:31:14 -178.006813 0.049445 LBFGSLineSearch: 2 02:31:15 -178.006867 0.043920 LBFGSLineSearch: 3 02:31:16 -178.006900 0.042074 LBFGSLineSearch: 4 02:31:16 -178.006936 0.043500 LBFGSLineSearch: 5 02:31:17 -178.006954 0.034562 LBFGSLineSearch: 6 02:31:18 -178.006971 0.030283 LBFGSLineSearch: 7 02:31:18 -178.006981 0.014404 LBFGSLineSearch: 8 02:31:18 -178.006986 0.019511 LBFGSLineSearch: 9 02:31:19 -178.006989 0.007887 LBFGSLineSearch: 10 02:31:19 -178.006994 0.005801 LBFGSLineSearch: 11 02:31:20 -178.007004 0.018727 LBFGSLineSearch: 12 02:31:20 -178.007016 0.007162 LBFGSLineSearch: 13 02:31:20 -178.007019 0.005780 LBFGSLineSearch: 14 02:31:21 -178.007020 0.002413 LBFGSLineSearch: 15 02:31:21 -178.007021 0.000962 LBFGSLineSearch: 16 02:31:22 -178.007021 0.001289 LBFGSLineSearch: 17 02:31:23 -178.007021 0.001070 LBFGSLineSearch: 18 02:31:24 -178.007021 0.000685 LBFGSLineSearch: 19 02:31:24 -178.007021 0.000488 LBFGSLineSearch: 20 02:31:25 -178.007021 0.000204 LBFGSLineSearch: 21 02:31:25 -178.007021 0.000028 LBFGSLineSearch: 22 02:31:25 -178.007021 0.000021 LBFGSLineSearch: 23 02:31:25 -178.007021 0.000000 Minimization converged after 23 steps. Pressure: -64.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:31:34 -178.991588 0.070326 LBFGSLineSearch: 1 02:31:34 -178.991685 0.049991 LBFGSLineSearch: 2 02:31:35 -178.991739 0.043770 LBFGSLineSearch: 3 02:31:35 -178.991772 0.041405 LBFGSLineSearch: 4 02:31:35 -178.991805 0.043292 LBFGSLineSearch: 5 02:31:36 -178.991824 0.034740 LBFGSLineSearch: 6 02:31:36 -178.991844 0.017095 LBFGSLineSearch: 7 02:31:37 -178.991853 0.010112 LBFGSLineSearch: 8 02:31:37 -178.991856 0.015058 LBFGSLineSearch: 9 02:31:37 -178.991860 0.006966 LBFGSLineSearch: 10 02:31:38 -178.991865 0.007466 LBFGSLineSearch: 11 02:31:38 -178.991882 0.014837 LBFGSLineSearch: 12 02:31:39 -178.991889 0.007506 LBFGSLineSearch: 13 02:31:39 -178.991892 0.004734 LBFGSLineSearch: 14 02:31:40 -178.991892 0.002285 LBFGSLineSearch: 15 02:31:40 -178.991893 0.001014 LBFGSLineSearch: 16 02:31:40 -178.991893 0.001814 LBFGSLineSearch: 17 02:31:40 -178.991893 0.000930 LBFGSLineSearch: 18 02:31:41 -178.991893 0.000587 LBFGSLineSearch: 19 02:31:41 -178.991893 0.000319 LBFGSLineSearch: 20 02:31:41 -178.991893 0.000108 LBFGSLineSearch: 21 02:31:42 -178.991893 0.000102 LBFGSLineSearch: 22 02:31:42 -178.991893 0.000023 LBFGSLineSearch: 23 02:31:42 -178.991893 0.000000 Minimization converged after 23 steps. Pressure: -65.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:31:51 -179.977071 0.070370 LBFGSLineSearch: 1 02:31:51 -179.977167 0.050552 LBFGSLineSearch: 2 02:31:52 -179.977222 0.043656 LBFGSLineSearch: 3 02:31:52 -179.977254 0.040656 LBFGSLineSearch: 4 02:31:53 -179.977286 0.045105 LBFGSLineSearch: 5 02:31:53 -179.977305 0.034872 LBFGSLineSearch: 6 02:31:54 -179.977325 0.016677 LBFGSLineSearch: 7 02:31:54 -179.977334 0.009705 LBFGSLineSearch: 8 02:31:55 -179.977338 0.015639 LBFGSLineSearch: 9 02:31:55 -179.977341 0.007282 LBFGSLineSearch: 10 02:31:55 -179.977346 0.007973 LBFGSLineSearch: 11 02:31:56 -179.977366 0.014684 LBFGSLineSearch: 12 02:31:56 -179.977372 0.007615 LBFGSLineSearch: 13 02:31:56 -179.977375 0.004682 LBFGSLineSearch: 14 02:31:57 -179.977376 0.002189 LBFGSLineSearch: 15 02:31:57 -179.977376 0.001116 LBFGSLineSearch: 16 02:31:57 -179.977377 0.001962 LBFGSLineSearch: 17 02:31:58 -179.977377 0.000834 LBFGSLineSearch: 18 02:31:58 -179.977377 0.000459 LBFGSLineSearch: 19 02:31:59 -179.977377 0.000487 LBFGSLineSearch: 20 02:31:59 -179.977377 0.000305 LBFGSLineSearch: 21 02:31:59 -179.977377 0.000167 LBFGSLineSearch: 22 02:32:00 -179.977377 0.000024 LBFGSLineSearch: 23 02:32:01 -179.977377 0.000000 Minimization converged after 23 steps. Pressure: -65.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:32:09 -180.963168 0.070414 LBFGSLineSearch: 1 02:32:09 -180.963264 0.051132 LBFGSLineSearch: 2 02:32:09 -180.963319 0.043583 LBFGSLineSearch: 3 02:32:10 -180.963352 0.039819 LBFGSLineSearch: 4 02:32:10 -180.963390 0.033151 LBFGSLineSearch: 5 02:32:11 -180.963405 0.029894 LBFGSLineSearch: 6 02:32:11 -180.963419 0.026921 LBFGSLineSearch: 7 02:32:11 -180.963432 0.011545 LBFGSLineSearch: 8 02:32:12 -180.963435 0.007813 LBFGSLineSearch: 9 02:32:12 -180.963437 0.007822 LBFGSLineSearch: 10 02:32:12 -180.963449 0.016614 LBFGSLineSearch: 11 02:32:13 -180.963469 0.010561 LBFGSLineSearch: 12 02:32:13 -180.963475 0.001469 LBFGSLineSearch: 13 02:32:13 -180.963476 0.003169 LBFGSLineSearch: 14 02:32:13 -180.963476 0.001215 LBFGSLineSearch: 15 02:32:14 -180.963476 0.000753 LBFGSLineSearch: 16 02:32:14 -180.963476 0.001126 LBFGSLineSearch: 17 02:32:14 -180.963476 0.000587 LBFGSLineSearch: 18 02:32:15 -180.963476 0.000007 Minimization converged after 18 steps. Pressure: -66.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:32:22 -181.949885 0.070458 LBFGSLineSearch: 1 02:32:23 -181.949980 0.051732 LBFGSLineSearch: 2 02:32:23 -181.950036 0.043556 LBFGSLineSearch: 3 02:32:23 -181.950069 0.038900 LBFGSLineSearch: 4 02:32:23 -181.950106 0.032022 LBFGSLineSearch: 5 02:32:24 -181.950121 0.029645 LBFGSLineSearch: 6 02:32:24 -181.950134 0.028622 LBFGSLineSearch: 7 02:32:25 -181.950148 0.012771 LBFGSLineSearch: 8 02:32:25 -181.950151 0.008051 LBFGSLineSearch: 9 02:32:26 -181.950153 0.007225 LBFGSLineSearch: 10 02:32:26 -181.950166 0.017483 LBFGSLineSearch: 11 02:32:27 -181.950188 0.010599 LBFGSLineSearch: 12 02:32:27 -181.950194 0.001726 LBFGSLineSearch: 13 02:32:27 -181.950195 0.002058 LBFGSLineSearch: 14 02:32:28 -181.950196 0.001393 LBFGSLineSearch: 15 02:32:28 -181.950196 0.000815 LBFGSLineSearch: 16 02:32:28 -181.950196 0.001175 LBFGSLineSearch: 17 02:32:29 -181.950196 0.000823 LBFGSLineSearch: 18 02:32:29 -181.950196 0.000355 LBFGSLineSearch: 19 02:32:29 -181.950196 0.000004 Minimization converged after 19 steps. Pressure: -66.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:32:37 -182.937229 0.070506 LBFGSLineSearch: 1 02:32:37 -182.937325 0.052369 LBFGSLineSearch: 2 02:32:37 -182.937382 0.043605 LBFGSLineSearch: 3 02:32:38 -182.937415 0.037820 LBFGSLineSearch: 4 02:32:38 -182.937451 0.030730 LBFGSLineSearch: 5 02:32:39 -182.937467 0.029320 LBFGSLineSearch: 6 02:32:40 -182.937481 0.019855 LBFGSLineSearch: 7 02:32:40 -182.937494 0.009424 LBFGSLineSearch: 8 02:32:41 -182.937497 0.006843 LBFGSLineSearch: 9 02:32:41 -182.937499 0.006636 LBFGSLineSearch: 10 02:32:41 -182.937526 0.017487 LBFGSLineSearch: 11 02:32:42 -182.937536 0.012812 LBFGSLineSearch: 12 02:32:42 -182.937541 0.006781 LBFGSLineSearch: 13 02:32:42 -182.937544 0.003057 LBFGSLineSearch: 14 02:32:42 -182.937544 0.001854 LBFGSLineSearch: 15 02:32:43 -182.937545 0.003885 LBFGSLineSearch: 16 02:32:43 -182.937546 0.000843 LBFGSLineSearch: 17 02:32:44 -182.937546 0.000754 LBFGSLineSearch: 18 02:32:44 -182.937546 0.000610 LBFGSLineSearch: 19 02:32:45 -182.937546 0.000612 LBFGSLineSearch: 20 02:32:45 -182.937546 0.000321 LBFGSLineSearch: 21 02:32:45 -182.937546 0.000025 LBFGSLineSearch: 22 02:32:46 -182.937546 0.000000 Minimization converged after 22 steps. Pressure: -67.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:32:54 -183.925215 0.070548 LBFGSLineSearch: 1 02:32:54 -183.925310 0.053060 LBFGSLineSearch: 2 02:32:54 -183.925369 0.043747 LBFGSLineSearch: 3 02:32:55 -183.925403 0.036634 LBFGSLineSearch: 4 02:32:55 -183.925438 0.029229 LBFGSLineSearch: 5 02:32:56 -183.925454 0.028868 LBFGSLineSearch: 6 02:32:56 -183.925468 0.020906 LBFGSLineSearch: 7 02:32:57 -183.925481 0.010195 LBFGSLineSearch: 8 02:32:57 -183.925484 0.007183 LBFGSLineSearch: 9 02:32:58 -183.925486 0.006796 LBFGSLineSearch: 10 02:32:58 -183.925514 0.015808 LBFGSLineSearch: 11 02:32:59 -183.925529 0.012753 LBFGSLineSearch: 12 02:32:59 -183.925535 0.007175 LBFGSLineSearch: 13 02:32:59 -183.925537 0.002249 LBFGSLineSearch: 14 02:33:00 -183.925539 0.001630 LBFGSLineSearch: 15 02:33:00 -183.925539 0.000874 LBFGSLineSearch: 16 02:33:01 -183.925539 0.001500 LBFGSLineSearch: 17 02:33:01 -183.925540 0.000939 LBFGSLineSearch: 18 02:33:01 -183.925540 0.000173 LBFGSLineSearch: 19 02:33:02 -183.925540 0.000002 Minimization converged after 19 steps. Pressure: -67.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:33:09 -184.913861 0.070595 LBFGSLineSearch: 1 02:33:10 -184.913957 0.053818 LBFGSLineSearch: 2 02:33:10 -184.914018 0.044030 LBFGSLineSearch: 3 02:33:11 -184.914053 0.035287 LBFGSLineSearch: 4 02:33:11 -184.914086 0.027465 LBFGSLineSearch: 5 02:33:12 -184.914103 0.028245 LBFGSLineSearch: 6 02:33:12 -184.914116 0.021846 LBFGSLineSearch: 7 02:33:13 -184.914130 0.011059 LBFGSLineSearch: 8 02:33:13 -184.914134 0.007793 LBFGSLineSearch: 9 02:33:14 -184.914137 0.007014 LBFGSLineSearch: 10 02:33:15 -184.914176 0.027598 LBFGSLineSearch: 11 02:33:15 -184.914186 0.012410 LBFGSLineSearch: 12 02:33:15 -184.914191 0.007772 LBFGSLineSearch: 13 02:33:16 -184.914194 0.004443 LBFGSLineSearch: 14 02:33:16 -184.914195 0.004316 LBFGSLineSearch: 15 02:33:17 -184.914196 0.007072 LBFGSLineSearch: 16 02:33:17 -184.914198 0.001212 LBFGSLineSearch: 17 02:33:18 -184.914198 0.000906 LBFGSLineSearch: 18 02:33:18 -184.914198 0.000784 LBFGSLineSearch: 19 02:33:19 -184.914198 0.000169 LBFGSLineSearch: 20 02:33:19 -184.914198 0.000071 LBFGSLineSearch: 21 02:33:20 -184.914198 0.000000 Minimization converged after 21 steps. Pressure: -68.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:33:28 -185.903199 0.070643 LBFGSLineSearch: 1 02:33:28 -185.903295 0.054674 LBFGSLineSearch: 2 02:33:29 -185.903359 0.044550 LBFGSLineSearch: 3 02:33:29 -185.903397 0.033773 LBFGSLineSearch: 4 02:33:30 -185.903428 0.027672 LBFGSLineSearch: 5 02:33:30 -185.903447 0.027351 LBFGSLineSearch: 6 02:33:30 -185.903459 0.022667 LBFGSLineSearch: 7 02:33:31 -185.903474 0.012116 LBFGSLineSearch: 8 02:33:31 -185.903479 0.008739 LBFGSLineSearch: 9 02:33:32 -185.903481 0.007664 LBFGSLineSearch: 10 02:33:32 -185.903529 0.028527 LBFGSLineSearch: 11 02:33:33 -185.903541 0.011438 LBFGSLineSearch: 12 02:33:33 -185.903546 0.007139 LBFGSLineSearch: 13 02:33:33 -185.903550 0.010450 LBFGSLineSearch: 14 02:33:34 -185.903554 0.008422 LBFGSLineSearch: 15 02:33:35 -185.903556 0.000920 LBFGSLineSearch: 16 02:33:35 -185.903556 0.001075 LBFGSLineSearch: 17 02:33:36 -185.903556 0.001396 LBFGSLineSearch: 18 02:33:36 -185.903556 0.000963 LBFGSLineSearch: 19 02:33:36 -185.903556 0.000565 LBFGSLineSearch: 20 02:33:36 -185.903556 0.000221 LBFGSLineSearch: 21 02:33:37 -185.903556 0.000078 LBFGSLineSearch: 22 02:33:37 -185.903556 0.000002 Minimization converged after 22 steps. Pressure: -68.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:33:45 -186.893282 0.070694 LBFGSLineSearch: 1 02:33:45 -186.893378 0.055710 LBFGSLineSearch: 2 02:33:46 -186.893448 0.049168 LBFGSLineSearch: 3 02:33:46 -186.893491 0.032107 LBFGSLineSearch: 4 02:33:47 -186.893520 0.027938 LBFGSLineSearch: 5 02:33:47 -186.893540 0.025997 LBFGSLineSearch: 6 02:33:48 -186.893553 0.023356 LBFGSLineSearch: 7 02:33:48 -186.893570 0.013655 LBFGSLineSearch: 8 02:33:49 -186.893576 0.010472 LBFGSLineSearch: 9 02:33:49 -186.893579 0.009623 LBFGSLineSearch: 10 02:33:50 -186.893639 0.028730 LBFGSLineSearch: 11 02:33:50 -186.893656 0.009473 LBFGSLineSearch: 12 02:33:50 -186.893662 0.006402 LBFGSLineSearch: 13 02:33:50 -186.893670 0.016314 LBFGSLineSearch: 14 02:33:50 -186.893679 0.007679 LBFGSLineSearch: 15 02:33:51 -186.893681 0.001089 LBFGSLineSearch: 16 02:33:51 -186.893681 0.001036 LBFGSLineSearch: 17 02:33:52 -186.893681 0.001279 LBFGSLineSearch: 18 02:33:52 -186.893681 0.000659 LBFGSLineSearch: 19 02:33:52 -186.893681 0.000265 LBFGSLineSearch: 20 02:33:52 -186.893681 0.000058 LBFGSLineSearch: 21 02:33:53 -186.893681 0.000000 Minimization converged after 21 steps. Pressure: -69.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:34:02 -187.884231 0.070754 LBFGSLineSearch: 1 02:34:02 -187.884328 0.057146 LBFGSLineSearch: 2 02:34:03 -187.884409 0.058178 LBFGSLineSearch: 3 02:34:03 -187.884463 0.030717 LBFGSLineSearch: 4 02:34:04 -187.884492 0.028428 LBFGSLineSearch: 5 02:34:04 -187.884516 0.023700 LBFGSLineSearch: 6 02:34:05 -187.884529 0.023908 LBFGSLineSearch: 7 02:34:05 -187.884550 0.024710 LBFGSLineSearch: 8 02:34:06 -187.884562 0.019247 LBFGSLineSearch: 9 02:34:08 -187.884568 0.015056 LBFGSLineSearch: 10 02:34:10 -187.884615 0.025992 LBFGSLineSearch: 11 02:34:12 -187.884715 0.021245 LBFGSLineSearch: 12 02:34:13 -187.884754 0.021992 LBFGSLineSearch: 13 02:34:14 -187.993749 2.755543 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 13 steps. Final forces: [[ 2.14279673e-01 -2.51748550e-02 1.93415181e-01] [-2.14279673e-01 -2.51748550e-02 -1.93415181e-01] [-2.14279673e-01 2.51748550e-02 -1.93415181e-01] [ 2.14279673e-01 2.51748550e-02 1.93415181e-01] [ 6.38503879e-16 2.74207985e+00 8.17078359e-17] [-6.38503879e-16 -2.74207985e+00 -8.17078359e-17] [-9.17702633e-01 -2.56115600e+00 -6.09882902e-02] [ 9.17702633e-01 -2.56115600e+00 6.09882902e-02] [ 9.17702633e-01 2.56115600e+00 6.09882902e-02] [-9.17702633e-01 2.56115600e+00 -6.09882902e-02] [-2.41599132e-01 5.76337856e-02 -1.81584156e-01] [ 2.41599132e-01 5.76337856e-02 1.81584156e-01] [ 2.41599132e-01 -5.76337856e-02 1.81584156e-01] [-2.41599132e-01 -5.76337856e-02 -1.81584156e-01]] Final stress: [ 4.17020525e-01 3.81253518e-01 4.17016503e-01 1.72647249e-16 -9.16914868e-03 -2.84895555e-16] Pressure: -69.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:34:19 -188.997539 2.742080 LBFGSLineSearch: 1 02:34:20 -189.413116 6.064761 LBFGSLineSearch: 2 02:34:20 -190.704394 4.461186 LBFGSLineSearch: 3 02:34:21 -205.826979 10.915850 Failed to get energy or crystal structure at pressure -69.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')