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": "AB2_oP12_62_c_2c" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 5.585687379774276, "source-unit": "angstrom", "si-unit": "m", "si-value": 5.585687379774276e-10 }, "parameter-names": { "source-value": [ "b/a", "c/a", "x1", "z1", "x2", "z2", "x3", "z3" ] }, "parameter-values": { "source-value": [ 0.5687910712904753, 1.0695619168595116, 0.22082113641566603, 0.8748194591755256, 0.862038564723703, 0.9332537300561174, 0.43426518949255954, 0.16400726746356442 ] }, "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_161871260430_000" ] ] }, "coordinates-file": { "source-value": "instance-1.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-1.poscar" }, "meta": { "uuid": "TE_506914307810_003-and-MO_856956178669_002-1753137339-tr", "path": "tr/TE_506914307810_003-and-MO_856956178669_002-1753137339-tr", "type": "tr", "_id": "TE_506914307810_003-and-MO_856956178669_002-1753137339-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe__TE_506914307810_003", "short-id": "TE_506914307810_003", "kimid-prefix": "EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe", "kimid-typecode": "te", "kimid-number": "506914307810", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe", "type": "te", "kimnum": "506914307810", "version": 3, "shortcode": "TE_506914307810", "kimcode": "EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe__TE_506914307810_003", "path": "te/EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe__TE_506914307810_003", "approved": true, "_id": "EquilibriumCrystalStructure_AB2_oP12_62_c_2c_CFe__TE_506914307810_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 AB2_oP12_62_c_2c 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 AB2_oP12_62_c_2c at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guess for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation is used:\na (angstrom): 5.7358, b/a: 0.51555145, c/a: 1.279281, x1: 0.8026762, z1: 0.1703805, x2: 0.16541283, z2: 0.04518592, x3: 0.49285668, z3: 0.81631433, obtained from OpenKIM Reference Data item RD_161871260430_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": "2025-07-21 22:27:38.116500" }, "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_AB2_oP12_62_c_2c_CFe__TE_506914307810_003", "model": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "domain": "openkim.org", "test-result-id": "TE_506914307810_003-and-MO_856956178669_002-1753137339-tr", "created_on": "2025-07-21 23:13:11.913027", "dependencies": [] }, "created_on": "2025-07-21 23:13:11.913027", "inserted_on": "2025-07-21 23:15:27.375150", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.006589964594427691 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 0.0005747365559004539 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 17:01:39 -63.120137 0.032650 LBFGSLineSearch: 1 17:01:39 -63.120166 0.025890 LBFGSLineSearch: 2 17:01:40 -63.120258 0.024708 LBFGSLineSearch: 3 17:01:40 -63.120280 0.025480 LBFGSLineSearch: 4 17:01:40 -63.120291 0.008895 LBFGSLineSearch: 5 17:01:41 -63.120304 0.009356 LBFGSLineSearch: 6 17:01:41 -63.120309 0.008565 LBFGSLineSearch: 7 17:01:41 -63.120321 0.004098 LBFGSLineSearch: 8 17:01:42 -63.120325 0.004809 LBFGSLineSearch: 9 17:01:42 -63.120330 0.005277 LBFGSLineSearch: 10 17:01:43 -63.120345 0.005423 LBFGSLineSearch: 11 17:01:43 -63.120354 0.003361 LBFGSLineSearch: 12 17:01:43 -63.120356 0.001868 LBFGSLineSearch: 13 17:01:44 -63.120357 0.001920 LBFGSLineSearch: 14 17:01:44 -63.120359 0.002085 LBFGSLineSearch: 15 17:01:45 -63.120359 0.000002 Minimization converged after 15 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:50 -63.079895 0.003373 LBFGSLineSearch: 1 17:01:50 -63.079896 0.003849 LBFGSLineSearch: 2 17:01:50 -63.079897 0.002893 LBFGSLineSearch: 3 17:01:50 -63.079897 0.001342 LBFGSLineSearch: 4 17:01:51 -63.079898 0.001114 LBFGSLineSearch: 5 17:01:51 -63.079898 0.000955 LBFGSLineSearch: 6 17:01:51 -63.079898 0.000604 LBFGSLineSearch: 7 17:01:51 -63.079898 0.000426 LBFGSLineSearch: 8 17:01:51 -63.079898 0.000558 LBFGSLineSearch: 9 17:01:51 -63.079898 0.000823 LBFGSLineSearch: 10 17:01:51 -63.079898 0.000677 LBFGSLineSearch: 11 17:01:51 -63.079898 0.000505 LBFGSLineSearch: 12 17:01:51 -63.079899 0.000223 LBFGSLineSearch: 13 17:01:51 -63.079899 0.000274 LBFGSLineSearch: 14 17:01:51 -63.079899 0.000000 Minimization converged after 14 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:56 -63.034487 0.003784 LBFGSLineSearch: 1 17:01:56 -63.034488 0.004318 LBFGSLineSearch: 2 17:01:56 -63.034489 0.003232 LBFGSLineSearch: 3 17:01:57 -63.034489 0.001508 LBFGSLineSearch: 4 17:01:57 -63.034490 0.001234 LBFGSLineSearch: 5 17:01:58 -63.034490 0.001103 LBFGSLineSearch: 6 17:01:58 -63.034490 0.000678 LBFGSLineSearch: 7 17:01:59 -63.034490 0.000451 LBFGSLineSearch: 8 17:02:00 -63.034490 0.000627 LBFGSLineSearch: 9 17:02:01 -63.034490 0.000923 LBFGSLineSearch: 10 17:02:01 -63.034490 0.000757 LBFGSLineSearch: 11 17:02:01 -63.034491 0.000545 LBFGSLineSearch: 12 17:02:02 -63.034491 0.000292 LBFGSLineSearch: 13 17:02:02 -63.034491 0.000116 LBFGSLineSearch: 14 17:02:02 -63.034491 0.000002 Minimization converged after 14 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:07 -62.983527 0.004249 LBFGSLineSearch: 1 17:02:07 -62.983528 0.004842 LBFGSLineSearch: 2 17:02:07 -62.983530 0.003611 LBFGSLineSearch: 3 17:02:08 -62.983530 0.001692 LBFGSLineSearch: 4 17:02:08 -62.983531 0.001378 LBFGSLineSearch: 5 17:02:09 -62.983531 0.001245 LBFGSLineSearch: 6 17:02:09 -62.983531 0.000762 LBFGSLineSearch: 7 17:02:10 -62.983531 0.000505 LBFGSLineSearch: 8 17:02:10 -62.983531 0.000703 LBFGSLineSearch: 9 17:02:10 -62.983531 0.001036 LBFGSLineSearch: 10 17:02:11 -62.983532 0.000850 LBFGSLineSearch: 11 17:02:11 -62.983532 0.000610 LBFGSLineSearch: 12 17:02:12 -62.983532 0.000334 LBFGSLineSearch: 13 17:02:12 -62.983532 0.000081 LBFGSLineSearch: 14 17:02:13 -62.983532 0.000000 Minimization converged after 14 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:17 -62.926339 0.004766 LBFGSLineSearch: 1 17:02:18 -62.926341 0.005430 LBFGSLineSearch: 2 17:02:18 -62.926342 0.004032 LBFGSLineSearch: 3 17:02:18 -62.926343 0.001899 LBFGSLineSearch: 4 17:02:18 -62.926344 0.001542 LBFGSLineSearch: 5 17:02:19 -62.926344 0.001397 LBFGSLineSearch: 6 17:02:19 -62.926344 0.000855 LBFGSLineSearch: 7 17:02:20 -62.926344 0.000568 LBFGSLineSearch: 8 17:02:20 -62.926344 0.000790 LBFGSLineSearch: 9 17:02:20 -62.926345 0.001164 LBFGSLineSearch: 10 17:02:21 -62.926345 0.000956 LBFGSLineSearch: 11 17:02:21 -62.926345 0.000688 LBFGSLineSearch: 12 17:02:22 -62.926345 0.000373 LBFGSLineSearch: 13 17:02:22 -62.926345 0.000152 LBFGSLineSearch: 14 17:02:23 -62.926345 0.000000 Minimization converged after 14 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:28 -62.862163 0.005349 LBFGSLineSearch: 1 17:02:28 -62.862165 0.006086 LBFGSLineSearch: 2 17:02:28 -62.862167 0.004499 LBFGSLineSearch: 3 17:02:29 -62.862168 0.002130 LBFGSLineSearch: 4 17:02:29 -62.862169 0.001722 LBFGSLineSearch: 5 17:02:29 -62.862169 0.001574 LBFGSLineSearch: 6 17:02:30 -62.862170 0.000960 LBFGSLineSearch: 7 17:02:30 -62.862170 0.000637 LBFGSLineSearch: 8 17:02:30 -62.862170 0.000887 LBFGSLineSearch: 9 17:02:31 -62.862170 0.001307 LBFGSLineSearch: 10 17:02:31 -62.862171 0.001075 LBFGSLineSearch: 11 17:02:31 -62.862171 0.000773 LBFGSLineSearch: 12 17:02:31 -62.862171 0.000421 LBFGSLineSearch: 13 17:02:32 -62.862171 0.000170 LBFGSLineSearch: 14 17:02:32 -62.862171 0.000000 Minimization converged after 14 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:37 -62.790147 0.006002 LBFGSLineSearch: 1 17:02:39 -62.790150 0.006820 LBFGSLineSearch: 2 17:02:39 -62.790153 0.005017 LBFGSLineSearch: 3 17:02:40 -62.790154 0.002390 LBFGSLineSearch: 4 17:02:40 -62.790155 0.001922 LBFGSLineSearch: 5 17:02:40 -62.790155 0.001772 LBFGSLineSearch: 6 17:02:40 -62.790156 0.001079 LBFGSLineSearch: 7 17:02:40 -62.790156 0.000715 LBFGSLineSearch: 8 17:02:41 -62.790156 0.000996 LBFGSLineSearch: 9 17:02:41 -62.790157 0.001469 LBFGSLineSearch: 10 17:02:41 -62.790157 0.001208 LBFGSLineSearch: 11 17:02:41 -62.790157 0.000869 LBFGSLineSearch: 12 17:02:42 -62.790158 0.000474 LBFGSLineSearch: 13 17:02:42 -62.790158 0.000020 LBFGSLineSearch: 14 17:02:42 -62.790158 0.000000 Minimization converged after 14 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:46 -62.709337 0.006735 LBFGSLineSearch: 1 17:02:47 -62.709341 0.007642 LBFGSLineSearch: 2 17:02:47 -62.709345 0.005589 LBFGSLineSearch: 3 17:02:47 -62.709346 0.002682 LBFGSLineSearch: 4 17:02:47 -62.709347 0.002144 LBFGSLineSearch: 5 17:02:47 -62.709347 0.001997 LBFGSLineSearch: 6 17:02:48 -62.709348 0.001212 LBFGSLineSearch: 7 17:02:48 -62.709349 0.000802 LBFGSLineSearch: 8 17:02:48 -62.709349 0.001118 LBFGSLineSearch: 9 17:02:49 -62.709349 0.001650 LBFGSLineSearch: 10 17:02:49 -62.709350 0.001359 LBFGSLineSearch: 11 17:02:49 -62.709350 0.000977 LBFGSLineSearch: 12 17:02:50 -62.709350 0.000532 LBFGSLineSearch: 13 17:02:50 -62.709351 0.000025 LBFGSLineSearch: 14 17:02:51 -62.709351 0.000000 Minimization converged after 14 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:55 -62.618662 0.007557 LBFGSLineSearch: 1 17:02:55 -62.618667 0.008560 LBFGSLineSearch: 2 17:02:55 -62.618671 0.006219 LBFGSLineSearch: 3 17:02:56 -62.618673 0.003009 LBFGSLineSearch: 4 17:02:56 -62.618674 0.002388 LBFGSLineSearch: 5 17:02:56 -62.618675 0.002252 LBFGSLineSearch: 6 17:02:56 -62.618676 0.001361 LBFGSLineSearch: 7 17:02:56 -62.618676 0.000900 LBFGSLineSearch: 8 17:02:56 -62.618676 0.001255 LBFGSLineSearch: 9 17:02:57 -62.618677 0.001854 LBFGSLineSearch: 10 17:02:57 -62.618678 0.001528 LBFGSLineSearch: 11 17:02:57 -62.618678 0.001098 LBFGSLineSearch: 12 17:02:57 -62.618679 0.000598 LBFGSLineSearch: 13 17:02:57 -62.618679 0.000031 LBFGSLineSearch: 14 17:02:57 -62.618679 0.000000 Minimization converged after 14 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:01 -62.516922 0.008480 LBFGSLineSearch: 1 17:03:01 -62.516928 0.009586 LBFGSLineSearch: 2 17:03:01 -62.516933 0.006913 LBFGSLineSearch: 3 17:03:02 -62.516935 0.003376 LBFGSLineSearch: 4 17:03:02 -62.516937 0.002658 LBFGSLineSearch: 5 17:03:02 -62.516938 0.002541 LBFGSLineSearch: 6 17:03:02 -62.516939 0.001530 LBFGSLineSearch: 7 17:03:02 -62.516940 0.001010 LBFGSLineSearch: 8 17:03:02 -62.516940 0.001410 LBFGSLineSearch: 9 17:03:02 -62.516940 0.002084 LBFGSLineSearch: 10 17:03:02 -62.516941 0.001719 LBFGSLineSearch: 11 17:03:02 -62.516942 0.001234 LBFGSLineSearch: 12 17:03:02 -62.516942 0.000672 LBFGSLineSearch: 13 17:03:02 -62.516943 0.000039 LBFGSLineSearch: 14 17:03:03 -62.516943 0.000000 Minimization converged after 14 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:07 -62.402771 0.009514 LBFGSLineSearch: 1 17:03:08 -62.402778 0.010731 LBFGSLineSearch: 2 17:03:09 -62.402785 0.007673 LBFGSLineSearch: 3 17:03:09 -62.402787 0.006258 LBFGSLineSearch: 4 17:03:10 -62.402789 0.003578 LBFGSLineSearch: 5 17:03:10 -62.402790 0.002769 LBFGSLineSearch: 6 17:03:10 -62.402791 0.002275 LBFGSLineSearch: 7 17:03:10 -62.402792 0.002016 LBFGSLineSearch: 8 17:03:11 -62.402793 0.001802 LBFGSLineSearch: 9 17:03:11 -62.402793 0.001905 LBFGSLineSearch: 10 17:03:11 -62.402794 0.002075 LBFGSLineSearch: 11 17:03:12 -62.402794 0.001910 LBFGSLineSearch: 12 17:03:12 -62.402796 0.001598 LBFGSLineSearch: 13 17:03:12 -62.402796 0.001658 LBFGSLineSearch: 14 17:03:12 -62.402797 0.001324 LBFGSLineSearch: 15 17:03:12 -62.402797 0.000579 LBFGSLineSearch: 16 17:03:12 -62.402798 0.000230 LBFGSLineSearch: 17 17:03:12 -62.402798 0.000000 Minimization converged after 17 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:17 -62.274703 0.010675 LBFGSLineSearch: 1 17:03:17 -62.274712 0.012007 LBFGSLineSearch: 2 17:03:17 -62.274721 0.008503 LBFGSLineSearch: 3 17:03:17 -62.274724 0.006780 LBFGSLineSearch: 4 17:03:17 -62.274726 0.004005 LBFGSLineSearch: 5 17:03:18 -62.274727 0.003086 LBFGSLineSearch: 6 17:03:18 -62.274728 0.002541 LBFGSLineSearch: 7 17:03:18 -62.274729 0.002264 LBFGSLineSearch: 8 17:03:18 -62.274730 0.001989 LBFGSLineSearch: 9 17:03:18 -62.274731 0.002205 LBFGSLineSearch: 10 17:03:19 -62.274732 0.002275 LBFGSLineSearch: 11 17:03:19 -62.274733 0.002216 LBFGSLineSearch: 12 17:03:19 -62.274734 0.001831 LBFGSLineSearch: 13 17:03:19 -62.274735 0.001871 LBFGSLineSearch: 14 17:03:19 -62.274735 0.001479 LBFGSLineSearch: 15 17:03:20 -62.274736 0.000662 LBFGSLineSearch: 16 17:03:20 -62.274736 0.000263 LBFGSLineSearch: 17 17:03:20 -62.274736 0.000000 Minimization converged after 17 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:24 -62.131030 0.011976 LBFGSLineSearch: 1 17:03:25 -62.131041 0.013431 LBFGSLineSearch: 2 17:03:25 -62.131052 0.009406 LBFGSLineSearch: 3 17:03:25 -62.131056 0.007306 LBFGSLineSearch: 4 17:03:25 -62.131058 0.004480 LBFGSLineSearch: 5 17:03:25 -62.131060 0.003435 LBFGSLineSearch: 6 17:03:26 -62.131061 0.002835 LBFGSLineSearch: 7 17:03:26 -62.131062 0.002542 LBFGSLineSearch: 8 17:03:26 -62.131064 0.002189 LBFGSLineSearch: 9 17:03:26 -62.131065 0.002576 LBFGSLineSearch: 10 17:03:27 -62.131066 0.002468 LBFGSLineSearch: 11 17:03:27 -62.131067 0.002597 LBFGSLineSearch: 12 17:03:27 -62.131069 0.002135 LBFGSLineSearch: 13 17:03:28 -62.131069 0.002073 LBFGSLineSearch: 14 17:03:28 -62.131071 0.000797 LBFGSLineSearch: 15 17:03:28 -62.131071 0.000379 LBFGSLineSearch: 16 17:03:28 -62.131071 0.000001 Minimization converged after 16 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:33 -61.969860 0.013435 LBFGSLineSearch: 1 17:03:33 -61.969874 0.015013 LBFGSLineSearch: 2 17:03:33 -61.969888 0.010382 LBFGSLineSearch: 3 17:03:33 -61.969892 0.007826 LBFGSLineSearch: 4 17:03:33 -61.969896 0.004461 LBFGSLineSearch: 5 17:03:34 -61.969899 0.003178 LBFGSLineSearch: 6 17:03:34 -61.969902 0.002421 LBFGSLineSearch: 7 17:03:34 -61.969904 0.002007 LBFGSLineSearch: 8 17:03:35 -61.969904 0.002008 LBFGSLineSearch: 9 17:03:35 -61.969905 0.003944 LBFGSLineSearch: 10 17:03:35 -61.969908 0.002979 LBFGSLineSearch: 11 17:03:36 -61.969909 0.002046 LBFGSLineSearch: 12 17:03:36 -61.969911 0.000987 LBFGSLineSearch: 13 17:03:36 -61.969911 0.000957 LBFGSLineSearch: 14 17:03:36 -61.969912 0.000957 LBFGSLineSearch: 15 17:03:36 -61.969912 0.000007 Minimization converged after 15 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:41 -61.789075 0.015069 LBFGSLineSearch: 1 17:03:41 -61.789094 0.016759 LBFGSLineSearch: 2 17:03:41 -61.789111 0.011432 LBFGSLineSearch: 3 17:03:42 -61.789117 0.008335 LBFGSLineSearch: 4 17:03:42 -61.789121 0.004977 LBFGSLineSearch: 5 17:03:42 -61.789124 0.003566 LBFGSLineSearch: 6 17:03:43 -61.789128 0.002722 LBFGSLineSearch: 7 17:03:43 -61.789131 0.002254 LBFGSLineSearch: 8 17:03:43 -61.789131 0.002245 LBFGSLineSearch: 9 17:03:43 -61.789132 0.004448 LBFGSLineSearch: 10 17:03:44 -61.789136 0.003369 LBFGSLineSearch: 11 17:03:44 -61.789137 0.002296 LBFGSLineSearch: 12 17:03:44 -61.789140 0.001127 LBFGSLineSearch: 13 17:03:44 -61.789140 0.001078 LBFGSLineSearch: 14 17:03:44 -61.789141 0.001071 LBFGSLineSearch: 15 17:03:45 -61.789141 0.000008 Minimization converged after 15 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:49 -61.586307 0.016902 LBFGSLineSearch: 1 17:03:50 -61.586331 0.018707 LBFGSLineSearch: 2 17:03:50 -61.586352 0.012549 LBFGSLineSearch: 3 17:03:50 -61.586359 0.008795 LBFGSLineSearch: 4 17:03:50 -61.586365 0.005540 LBFGSLineSearch: 5 17:03:51 -61.586369 0.004008 LBFGSLineSearch: 6 17:03:51 -61.586373 0.003062 LBFGSLineSearch: 7 17:03:51 -61.586376 0.002479 LBFGSLineSearch: 8 17:03:52 -61.586377 0.002516 LBFGSLineSearch: 9 17:03:52 -61.586379 0.005021 LBFGSLineSearch: 10 17:03:52 -61.586383 0.003801 LBFGSLineSearch: 11 17:03:52 -61.586384 0.002602 LBFGSLineSearch: 12 17:03:53 -61.586388 0.001243 LBFGSLineSearch: 13 17:03:53 -61.586389 0.001212 LBFGSLineSearch: 14 17:03:53 -61.586389 0.001208 LBFGSLineSearch: 15 17:03:53 -61.586390 0.000010 LBFGSLineSearch: 16 17:03:53 -61.586390 0.000000 Minimization converged after 16 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:58 -61.358902 0.018957 LBFGSLineSearch: 1 17:03:58 -61.358933 0.020891 LBFGSLineSearch: 2 17:03:58 -61.358959 0.013727 LBFGSLineSearch: 3 17:03:58 -61.358968 0.009541 LBFGSLineSearch: 4 17:03:58 -61.358975 0.006145 LBFGSLineSearch: 5 17:03:59 -61.358980 0.004516 LBFGSLineSearch: 6 17:03:59 -61.358986 0.003445 LBFGSLineSearch: 7 17:03:59 -61.358989 0.002659 LBFGSLineSearch: 8 17:03:59 -61.358991 0.002827 LBFGSLineSearch: 9 17:03:59 -61.358992 0.005679 LBFGSLineSearch: 10 17:04:00 -61.358998 0.004277 LBFGSLineSearch: 11 17:04:00 -61.359000 0.002983 LBFGSLineSearch: 12 17:04:00 -61.359004 0.001316 LBFGSLineSearch: 13 17:04:00 -61.359005 0.001362 LBFGSLineSearch: 14 17:04:01 -61.359006 0.001369 LBFGSLineSearch: 15 17:04:01 -61.359007 0.000011 LBFGSLineSearch: 16 17:04:01 -61.359007 0.000000 Minimization converged after 16 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:06 -61.103895 0.021259 LBFGSLineSearch: 1 17:04:06 -61.103934 0.023278 LBFGSLineSearch: 2 17:04:07 -61.103966 0.014951 LBFGSLineSearch: 3 17:04:07 -61.103978 0.010327 LBFGSLineSearch: 4 17:04:07 -61.103987 0.006779 LBFGSLineSearch: 5 17:04:07 -61.103992 0.005104 LBFGSLineSearch: 6 17:04:07 -61.103998 0.003136 LBFGSLineSearch: 7 17:04:08 -61.104001 0.003532 LBFGSLineSearch: 8 17:04:08 -61.104003 0.004045 LBFGSLineSearch: 9 17:04:08 -61.104007 0.003820 LBFGSLineSearch: 10 17:04:08 -61.104015 0.004449 LBFGSLineSearch: 11 17:04:09 -61.104023 0.002821 LBFGSLineSearch: 12 17:04:09 -61.104024 0.001610 LBFGSLineSearch: 13 17:04:09 -61.104025 0.002913 LBFGSLineSearch: 14 17:04:10 -61.104026 0.000006 Minimization converged after 14 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:14 -60.817967 0.023839 LBFGSLineSearch: 1 17:04:14 -60.818017 0.025923 LBFGSLineSearch: 2 17:04:14 -60.818058 0.016203 LBFGSLineSearch: 3 17:04:15 -60.818072 0.011112 LBFGSLineSearch: 4 17:04:15 -60.818084 0.007410 LBFGSLineSearch: 5 17:04:15 -60.818089 0.005802 LBFGSLineSearch: 6 17:04:16 -60.818097 0.003364 LBFGSLineSearch: 7 17:04:16 -60.818100 0.003980 LBFGSLineSearch: 8 17:04:16 -60.818104 0.004592 LBFGSLineSearch: 9 17:04:16 -60.818108 0.004284 LBFGSLineSearch: 10 17:04:17 -60.818119 0.005011 LBFGSLineSearch: 11 17:04:17 -60.818128 0.003485 LBFGSLineSearch: 12 17:04:17 -60.818129 0.001802 LBFGSLineSearch: 13 17:04:17 -60.818131 0.003266 LBFGSLineSearch: 14 17:04:17 -60.818132 0.000010 LBFGSLineSearch: 15 17:04:17 -60.818132 0.000000 Minimization converged after 15 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:22 -60.497413 0.026727 LBFGSLineSearch: 1 17:04:23 -60.497477 0.028778 LBFGSLineSearch: 2 17:04:23 -60.497527 0.017438 LBFGSLineSearch: 3 17:04:23 -60.497545 0.011931 LBFGSLineSearch: 4 17:04:23 -60.497560 0.007975 LBFGSLineSearch: 5 17:04:24 -60.497566 0.006688 LBFGSLineSearch: 6 17:04:24 -60.497576 0.003414 LBFGSLineSearch: 7 17:04:24 -60.497579 0.004488 LBFGSLineSearch: 8 17:04:25 -60.497584 0.005157 LBFGSLineSearch: 9 17:04:25 -60.497590 0.004794 LBFGSLineSearch: 10 17:04:25 -60.497603 0.005637 LBFGSLineSearch: 11 17:04:25 -60.497615 0.004385 LBFGSLineSearch: 12 17:04:25 -60.497617 0.002014 LBFGSLineSearch: 13 17:04:26 -60.497618 0.003727 LBFGSLineSearch: 14 17:04:26 -60.497620 0.000020 LBFGSLineSearch: 15 17:04:26 -60.497620 0.000000 Minimization converged after 15 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:30 -60.138091 0.029961 LBFGSLineSearch: 1 17:04:31 -60.138175 0.031906 LBFGSLineSearch: 2 17:04:31 -60.138235 0.018621 LBFGSLineSearch: 3 17:04:31 -60.138258 0.012722 LBFGSLineSearch: 4 17:04:31 -60.138278 0.008381 LBFGSLineSearch: 5 17:04:31 -60.138284 0.007951 LBFGSLineSearch: 6 17:04:31 -60.138298 0.004788 LBFGSLineSearch: 7 17:04:31 -60.138305 0.006082 LBFGSLineSearch: 8 17:04:32 -60.138311 0.005292 LBFGSLineSearch: 9 17:04:32 -60.138328 0.006005 LBFGSLineSearch: 10 17:04:32 -60.138340 0.010284 LBFGSLineSearch: 11 17:04:32 -60.138346 0.005091 LBFGSLineSearch: 12 17:04:33 -60.138348 0.002641 LBFGSLineSearch: 13 17:04:33 -60.138350 0.004860 LBFGSLineSearch: 14 17:04:33 -60.138353 0.000032 LBFGSLineSearch: 15 17:04:34 -60.138353 0.000000 Minimization converged after 15 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:38 -59.735381 0.033581 LBFGSLineSearch: 1 17:04:39 -59.735490 0.035283 LBFGSLineSearch: 2 17:04:39 -59.735564 0.019682 LBFGSLineSearch: 3 17:04:39 -59.735592 0.013484 LBFGSLineSearch: 4 17:04:39 -59.735617 0.008571 LBFGSLineSearch: 5 17:04:39 -59.735629 0.008884 LBFGSLineSearch: 6 17:04:39 -59.735640 0.006695 LBFGSLineSearch: 7 17:04:39 -59.735651 0.006089 LBFGSLineSearch: 8 17:04:39 -59.735658 0.006187 LBFGSLineSearch: 9 17:04:39 -59.735678 0.006339 LBFGSLineSearch: 10 17:04:40 -59.735689 0.010629 LBFGSLineSearch: 11 17:04:40 -59.735700 0.008051 LBFGSLineSearch: 12 17:04:40 -59.735704 0.003198 LBFGSLineSearch: 13 17:04:40 -59.735706 0.004327 LBFGSLineSearch: 14 17:04:41 -59.735710 0.000800 LBFGSLineSearch: 15 17:04:41 -59.735710 0.000126 LBFGSLineSearch: 16 17:04:41 -59.735710 0.000000 Minimization converged after 16 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:45 -59.284129 0.037632 LBFGSLineSearch: 1 17:04:46 -59.284270 0.038881 LBFGSLineSearch: 2 17:04:46 -59.284360 0.020887 LBFGSLineSearch: 3 17:04:46 -59.284394 0.014202 LBFGSLineSearch: 4 17:04:46 -59.284424 0.009676 LBFGSLineSearch: 5 17:04:47 -59.284436 0.012067 LBFGSLineSearch: 6 17:04:47 -59.284454 0.006982 LBFGSLineSearch: 7 17:04:48 -59.284470 0.004481 LBFGSLineSearch: 8 17:04:48 -59.284475 0.006530 LBFGSLineSearch: 9 17:04:48 -59.284483 0.009911 LBFGSLineSearch: 10 17:04:48 -59.284505 0.008238 LBFGSLineSearch: 11 17:04:49 -59.284517 0.006233 LBFGSLineSearch: 12 17:04:49 -59.284535 0.003399 LBFGSLineSearch: 13 17:04:49 -59.284537 0.002662 LBFGSLineSearch: 14 17:04:49 -59.284543 0.000609 LBFGSLineSearch: 15 17:04:50 -59.284543 0.000003 Minimization converged after 15 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:54 -58.778589 0.042166 LBFGSLineSearch: 1 17:04:54 -58.778774 0.042665 LBFGSLineSearch: 2 17:04:55 -58.778882 0.021974 LBFGSLineSearch: 3 17:04:55 -58.778923 0.014857 LBFGSLineSearch: 4 17:04:55 -58.778956 0.012617 LBFGSLineSearch: 5 17:04:55 -58.778969 0.009253 LBFGSLineSearch: 6 17:04:55 -58.778994 0.005708 LBFGSLineSearch: 7 17:04:56 -58.779005 0.009097 LBFGSLineSearch: 8 17:04:56 -58.779025 0.007822 LBFGSLineSearch: 9 17:04:56 -58.779057 0.008799 LBFGSLineSearch: 10 17:04:57 -58.779079 0.016394 LBFGSLineSearch: 11 17:04:57 -58.779099 0.004479 LBFGSLineSearch: 12 17:04:57 -58.779109 0.005303 LBFGSLineSearch: 13 17:04:57 -58.779110 0.000998 LBFGSLineSearch: 14 17:04:57 -58.779110 0.000004 Minimization converged after 14 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:02 -58.212367 0.047233 LBFGSLineSearch: 1 17:05:02 -58.212611 0.044902 LBFGSLineSearch: 2 17:05:03 -58.212739 0.022719 LBFGSLineSearch: 3 17:05:03 -58.212787 0.016334 LBFGSLineSearch: 4 17:05:03 -58.212823 0.014596 LBFGSLineSearch: 5 17:05:04 -58.212842 0.010227 LBFGSLineSearch: 6 17:05:04 -58.212872 0.007056 LBFGSLineSearch: 7 17:05:04 -58.212885 0.008157 LBFGSLineSearch: 8 17:05:04 -58.212900 0.009432 LBFGSLineSearch: 9 17:05:04 -58.212919 0.009190 LBFGSLineSearch: 10 17:05:04 -58.212960 0.011197 LBFGSLineSearch: 11 17:05:05 -58.213001 0.010057 LBFGSLineSearch: 12 17:05:05 -58.213011 0.004178 LBFGSLineSearch: 13 17:05:05 -58.213015 0.003167 LBFGSLineSearch: 14 17:05:05 -58.213019 0.004379 LBFGSLineSearch: 15 17:05:06 -58.213023 0.000037 LBFGSLineSearch: 16 17:05:06 -58.213023 0.000000 Minimization converged after 16 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:11 -57.578350 0.052889 LBFGSLineSearch: 1 17:05:11 -57.578673 0.045662 LBFGSLineSearch: 2 17:05:11 -57.578825 0.022903 LBFGSLineSearch: 3 17:05:11 -57.578879 0.018387 LBFGSLineSearch: 4 17:05:11 -57.578920 0.016487 LBFGSLineSearch: 5 17:05:12 -57.578947 0.011309 LBFGSLineSearch: 6 17:05:12 -57.578984 0.008137 LBFGSLineSearch: 7 17:05:12 -57.579001 0.009227 LBFGSLineSearch: 8 17:05:12 -57.579020 0.010676 LBFGSLineSearch: 9 17:05:13 -57.579045 0.010314 LBFGSLineSearch: 10 17:05:13 -57.579097 0.011969 LBFGSLineSearch: 11 17:05:13 -57.579152 0.011758 LBFGSLineSearch: 12 17:05:13 -57.579164 0.004585 LBFGSLineSearch: 13 17:05:13 -57.579169 0.006094 LBFGSLineSearch: 14 17:05:13 -57.579178 0.000474 LBFGSLineSearch: 15 17:05:13 -57.579178 0.000004 Minimization converged after 15 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:18 -56.868641 0.059216 LBFGSLineSearch: 1 17:05:18 -56.869071 0.045303 LBFGSLineSearch: 2 17:05:18 -56.869252 0.023065 LBFGSLineSearch: 3 17:05:19 -56.869309 0.020487 LBFGSLineSearch: 4 17:05:19 -56.869352 0.019326 LBFGSLineSearch: 5 17:05:19 -56.869378 0.015732 LBFGSLineSearch: 6 17:05:19 -56.869399 0.011339 LBFGSLineSearch: 7 17:05:19 -56.869426 0.014403 LBFGSLineSearch: 8 17:05:20 -56.869472 0.011633 LBFGSLineSearch: 9 17:05:20 -56.869506 0.010702 LBFGSLineSearch: 10 17:05:20 -56.869528 0.014790 LBFGSLineSearch: 11 17:05:20 -56.869567 0.014959 LBFGSLineSearch: 12 17:05:20 -56.869600 0.013379 LBFGSLineSearch: 13 17:05:21 -56.869621 0.009724 LBFGSLineSearch: 14 17:05:21 -56.869673 0.007295 LBFGSLineSearch: 15 17:05:21 -56.869680 0.004138 LBFGSLineSearch: 16 17:05:21 -56.869683 0.004343 LBFGSLineSearch: 17 17:05:21 -56.869688 0.000625 LBFGSLineSearch: 18 17:05:21 -56.869688 0.000066 LBFGSLineSearch: 19 17:05:21 -56.869688 0.000000 Minimization converged after 19 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:26 -56.074490 0.066267 LBFGSLineSearch: 1 17:05:26 -56.075061 0.044503 LBFGSLineSearch: 2 17:05:26 -56.075278 0.025023 LBFGSLineSearch: 3 17:05:26 -56.075361 0.032150 LBFGSLineSearch: 4 17:05:27 -56.075415 0.017182 LBFGSLineSearch: 5 17:05:27 -56.075452 0.017072 LBFGSLineSearch: 6 17:05:27 -56.075515 0.011839 LBFGSLineSearch: 7 17:05:28 -56.075558 0.012765 LBFGSLineSearch: 8 17:05:28 -56.075593 0.013379 LBFGSLineSearch: 9 17:05:28 -56.075673 0.016504 LBFGSLineSearch: 10 17:05:29 -56.075717 0.021889 LBFGSLineSearch: 11 17:05:29 -56.075791 0.014101 LBFGSLineSearch: 12 17:05:29 -56.075802 0.005815 LBFGSLineSearch: 13 17:05:29 -56.075806 0.004772 LBFGSLineSearch: 14 17:05:30 -56.075812 0.009971 LBFGSLineSearch: 15 17:05:30 -56.075817 0.000079 LBFGSLineSearch: 16 17:05:30 -56.075817 0.000002 Minimization converged after 16 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:35 -55.186220 0.074133 LBFGSLineSearch: 1 17:05:35 -55.186984 0.049564 LBFGSLineSearch: 2 17:05:35 -55.187255 0.026674 LBFGSLineSearch: 3 17:05:36 -55.187345 0.035223 LBFGSLineSearch: 4 17:05:36 -55.187403 0.018328 LBFGSLineSearch: 5 17:05:36 -55.187466 0.014259 LBFGSLineSearch: 6 17:05:36 -55.187535 0.014844 LBFGSLineSearch: 7 17:05:36 -55.187583 0.011501 LBFGSLineSearch: 8 17:05:37 -55.187635 0.016032 LBFGSLineSearch: 9 17:05:37 -55.187726 0.027344 LBFGSLineSearch: 10 17:05:37 -55.187763 0.016940 LBFGSLineSearch: 11 17:05:37 -55.187902 0.004458 LBFGSLineSearch: 12 17:05:37 -55.187906 0.004492 LBFGSLineSearch: 13 17:05:38 -55.187915 0.000819 LBFGSLineSearch: 14 17:05:38 -55.187915 0.000083 LBFGSLineSearch: 15 17:05:38 -55.187915 0.000002 Minimization converged after 15 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:43 -54.193197 0.082894 LBFGSLineSearch: 1 17:05:43 -54.194222 0.055116 LBFGSLineSearch: 2 17:05:43 -54.194595 0.027210 LBFGSLineSearch: 3 17:05:43 -54.194665 0.031084 LBFGSLineSearch: 4 17:05:43 -54.194755 0.020011 LBFGSLineSearch: 5 17:05:43 -54.194849 0.015414 LBFGSLineSearch: 6 17:05:43 -54.194914 0.020685 LBFGSLineSearch: 7 17:05:43 -54.194993 0.016713 LBFGSLineSearch: 8 17:05:43 -54.195070 0.019674 LBFGSLineSearch: 9 17:05:43 -54.195114 0.015868 LBFGSLineSearch: 10 17:05:44 -54.195239 0.015642 LBFGSLineSearch: 11 17:05:44 -54.195281 0.015794 LBFGSLineSearch: 12 17:05:44 -54.195335 0.020477 LBFGSLineSearch: 13 17:05:44 -54.195410 0.002066 LBFGSLineSearch: 14 17:05:44 -54.195411 0.001228 LBFGSLineSearch: 15 17:05:44 -54.195411 0.001718 LBFGSLineSearch: 16 17:05:44 -54.195412 0.000047 LBFGSLineSearch: 17 17:05:44 -54.195412 0.000007 Minimization converged after 17 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:48 -53.083919 0.092625 LBFGSLineSearch: 1 17:05:49 -53.085902 0.029411 LBFGSLineSearch: 2 17:05:49 -53.086034 0.018851 LBFGSLineSearch: 3 17:05:49 -53.086162 0.022453 LBFGSLineSearch: 4 17:05:50 -53.097049 0.272051 LBFGSLineSearch: 5 17:05:50 -53.097064 0.286942 LBFGSLineSearch: 6 17:05:50 -53.104921 0.206835 LBFGSLineSearch: 7 17:05:51 -53.115343 0.143716 LBFGSLineSearch: 8 17:05:52 -53.121813 0.111949 LBFGSLineSearch: 9 17:05:52 -53.124264 0.113226 LBFGSLineSearch: 10 17:05:53 -53.126362 0.132117 LBFGSLineSearch: 11 17:05:53 -53.149361 0.487235 LBFGSLineSearch: 12 17:05:53 -53.154998 0.523283 LBFGSLineSearch: 13 17:05:53 -53.219786 0.623755 LBFGSLineSearch: 14 17:05:54 -53.284161 0.414304 LBFGSLineSearch: 15 17:05:54 -53.303033 0.221679 LBFGSLineSearch: 16 17:05:54 -53.303646 0.241664 LBFGSLineSearch: 17 17:05:54 -53.307197 0.212670 LBFGSLineSearch: 18 17:05:54 -53.310423 0.154541 LBFGSLineSearch: 19 17:05:54 -53.316026 0.145507 LBFGSLineSearch: 20 17:05:54 -53.320818 0.105746 LBFGSLineSearch: 21 17:05:55 -53.325406 0.074294 LBFGSLineSearch: 22 17:05:55 -53.326884 0.067157 LBFGSLineSearch: 23 17:05:55 -53.327701 0.078446 LBFGSLineSearch: 24 17:05:55 -53.328452 0.006525 LBFGSLineSearch: 25 17:05:55 -53.328463 0.000867 LBFGSLineSearch: 26 17:05:56 -53.328464 0.000022 LBFGSLineSearch: 27 17:05:56 -53.328464 0.000003 Minimization converged after 27 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:01 -52.115501 0.101078 LBFGSLineSearch: 1 17:06:01 -52.116951 0.117026 LBFGSLineSearch: 2 17:06:02 -52.117971 0.014428 LBFGSLineSearch: 3 17:06:02 -52.118002 0.012875 LBFGSLineSearch: 4 17:06:02 -52.118033 0.009370 LBFGSLineSearch: 5 17:06:02 -52.118042 0.006444 LBFGSLineSearch: 6 17:06:02 -52.118051 0.008048 LBFGSLineSearch: 7 17:06:03 -52.118057 0.006684 LBFGSLineSearch: 8 17:06:03 -52.118064 0.006830 LBFGSLineSearch: 9 17:06:03 -52.118080 0.005053 LBFGSLineSearch: 10 17:06:03 -52.118085 0.003739 LBFGSLineSearch: 11 17:06:04 -52.118087 0.002195 LBFGSLineSearch: 12 17:06:04 -52.118089 0.002141 LBFGSLineSearch: 13 17:06:04 -52.118089 0.001699 LBFGSLineSearch: 14 17:06:04 -52.118089 0.001876 LBFGSLineSearch: 15 17:06:04 -52.118090 0.000194 LBFGSLineSearch: 16 17:06:05 -52.118090 0.000011 LBFGSLineSearch: 17 17:06:05 -52.118090 0.000000 Minimization converged after 17 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:11 -50.762366 0.112977 LBFGSLineSearch: 1 17:06:12 -50.764184 0.123008 LBFGSLineSearch: 2 17:06:13 -50.765383 0.014171 LBFGSLineSearch: 3 17:06:13 -50.765422 0.013022 LBFGSLineSearch: 4 17:06:13 -50.765454 0.009093 LBFGSLineSearch: 5 17:06:13 -50.765465 0.007479 LBFGSLineSearch: 6 17:06:13 -50.765477 0.008773 LBFGSLineSearch: 7 17:06:14 -50.765485 0.007146 LBFGSLineSearch: 8 17:06:14 -50.765495 0.008274 LBFGSLineSearch: 9 17:06:14 -50.765516 0.006190 LBFGSLineSearch: 10 17:06:14 -50.765523 0.002768 LBFGSLineSearch: 11 17:06:15 -50.765525 0.003418 LBFGSLineSearch: 12 17:06:15 -50.765526 0.001606 LBFGSLineSearch: 13 17:06:15 -50.765527 0.000782 LBFGSLineSearch: 14 17:06:15 -50.765528 0.000129 LBFGSLineSearch: 15 17:06:16 -50.765528 0.000043 LBFGSLineSearch: 16 17:06:16 -50.765528 0.000000 Minimization converged after 16 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:20 -49.250842 0.126224 LBFGSLineSearch: 1 17:06:20 -49.253123 0.128175 LBFGSLineSearch: 2 17:06:21 -49.254539 0.015289 LBFGSLineSearch: 3 17:06:21 -49.254590 0.015086 LBFGSLineSearch: 4 17:06:21 -49.254623 0.007976 LBFGSLineSearch: 5 17:06:21 -49.254631 0.009193 LBFGSLineSearch: 6 17:06:22 -49.254647 0.008991 LBFGSLineSearch: 7 17:06:22 -49.254659 0.010242 LBFGSLineSearch: 8 17:06:22 -49.254686 0.008747 LBFGSLineSearch: 9 17:06:22 -49.254701 0.004363 LBFGSLineSearch: 10 17:06:22 -49.254704 0.002978 LBFGSLineSearch: 11 17:06:23 -49.254705 0.002491 LBFGSLineSearch: 12 17:06:23 -49.254707 0.001744 LBFGSLineSearch: 13 17:06:23 -49.254708 0.000753 LBFGSLineSearch: 14 17:06:23 -49.254709 0.000001 Minimization converged after 14 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:28 -47.563167 0.140962 LBFGSLineSearch: 1 17:06:29 -47.566032 0.131680 LBFGSLineSearch: 2 17:06:29 -47.567686 0.016298 LBFGSLineSearch: 3 17:06:29 -47.567744 0.015861 LBFGSLineSearch: 4 17:06:29 -47.567780 0.011360 LBFGSLineSearch: 5 17:06:30 -47.567792 0.009945 LBFGSLineSearch: 6 17:06:30 -47.567810 0.009237 LBFGSLineSearch: 7 17:06:30 -47.567827 0.013385 LBFGSLineSearch: 8 17:06:30 -47.567859 0.010316 LBFGSLineSearch: 9 17:06:31 -47.567881 0.003408 LBFGSLineSearch: 10 17:06:31 -47.567884 0.002360 LBFGSLineSearch: 11 17:06:31 -47.567885 0.002002 LBFGSLineSearch: 12 17:06:31 -47.567885 0.001968 LBFGSLineSearch: 13 17:06:32 -47.567887 0.000548 LBFGSLineSearch: 14 17:06:32 -47.567887 0.000045 LBFGSLineSearch: 15 17:06:32 -47.567887 0.000000 Minimization converged after 15 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:37 -45.679734 0.157346 LBFGSLineSearch: 1 17:06:37 -45.683241 0.129766 LBFGSLineSearch: 2 17:06:38 -45.683967 0.107606 LBFGSLineSearch: 3 17:06:38 -45.684233 0.035118 LBFGSLineSearch: 4 17:06:38 -45.684339 0.042652 LBFGSLineSearch: 5 17:06:38 -45.684565 0.028889 LBFGSLineSearch: 6 17:06:39 -45.684658 0.019577 LBFGSLineSearch: 7 17:06:39 -45.684685 0.008802 LBFGSLineSearch: 8 17:06:40 -45.684697 0.006660 LBFGSLineSearch: 9 17:06:40 -45.684705 0.007640 LBFGSLineSearch: 10 17:06:40 -45.684710 0.004408 LBFGSLineSearch: 11 17:06:40 -45.684711 0.002957 LBFGSLineSearch: 12 17:06:41 -45.684712 0.003406 LBFGSLineSearch: 13 17:06:41 -45.684713 0.001847 LBFGSLineSearch: 14 17:06:41 -45.684714 0.001678 LBFGSLineSearch: 15 17:06:41 -45.684715 0.001235 LBFGSLineSearch: 16 17:06:41 -45.684716 0.000932 LBFGSLineSearch: 17 17:06:41 -45.684716 0.000767 LBFGSLineSearch: 18 17:06:42 -45.684716 0.000528 LBFGSLineSearch: 19 17:06:42 -45.684716 0.000309 LBFGSLineSearch: 20 17:06:42 -45.684716 0.000124 LBFGSLineSearch: 21 17:06:42 -45.684716 0.000027 LBFGSLineSearch: 22 17:06:42 -45.684716 0.000002 Minimization converged after 22 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:47 -43.575922 0.175734 LBFGSLineSearch: 1 17:06:47 -43.578600 0.141696 LBFGSLineSearch: 2 17:06:47 -43.579808 0.076051 LBFGSLineSearch: 3 17:06:48 -43.580049 0.070579 LBFGSLineSearch: 4 17:06:48 -43.580467 0.081907 LBFGSLineSearch: 5 17:06:49 -43.581136 0.046213 LBFGSLineSearch: 6 17:06:50 -43.581281 0.012118 LBFGSLineSearch: 7 17:06:50 -43.581296 0.009388 LBFGSLineSearch: 8 17:06:51 -43.581310 0.009061 LBFGSLineSearch: 9 17:06:52 -43.581316 0.006451 LBFGSLineSearch: 10 17:06:53 -43.581323 0.004791 LBFGSLineSearch: 11 17:06:53 -43.581326 0.004262 LBFGSLineSearch: 12 17:06:53 -43.581332 0.001079 LBFGSLineSearch: 13 17:06:54 -43.581332 0.000469 LBFGSLineSearch: 14 17:06:54 -43.581332 0.000149 LBFGSLineSearch: 15 17:06:54 -43.581332 0.000000 Minimization converged after 15 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:59 -41.226382 0.196246 LBFGSLineSearch: 1 17:06:59 -41.230013 0.142958 LBFGSLineSearch: 2 17:07:00 -41.231280 0.080936 LBFGSLineSearch: 3 17:07:00 -41.231565 0.073751 LBFGSLineSearch: 4 17:07:00 -41.232022 0.090603 LBFGSLineSearch: 5 17:07:01 -41.232761 0.045919 LBFGSLineSearch: 6 17:07:01 -41.232944 0.016353 LBFGSLineSearch: 7 17:07:01 -41.232972 0.010271 LBFGSLineSearch: 8 17:07:01 -41.232986 0.006527 LBFGSLineSearch: 9 17:07:01 -41.232995 0.006499 LBFGSLineSearch: 10 17:07:02 -41.232999 0.005930 LBFGSLineSearch: 11 17:07:02 -41.233002 0.005945 LBFGSLineSearch: 12 17:07:02 -41.233009 0.003972 LBFGSLineSearch: 13 17:07:02 -41.233012 0.003761 LBFGSLineSearch: 14 17:07:02 -41.233016 0.001942 LBFGSLineSearch: 15 17:07:03 -41.233017 0.000955 LBFGSLineSearch: 16 17:07:03 -41.233017 0.000691 LBFGSLineSearch: 17 17:07:03 -41.233017 0.000375 LBFGSLineSearch: 18 17:07:03 -41.233017 0.000171 LBFGSLineSearch: 19 17:07:03 -41.233017 0.000000 Minimization converged after 19 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:08 -38.604508 0.219042 LBFGSLineSearch: 1 17:07:08 -38.609527 0.132541 LBFGSLineSearch: 2 17:07:08 -38.610745 0.084338 LBFGSLineSearch: 3 17:07:09 -38.611161 0.069336 LBFGSLineSearch: 4 17:07:09 -38.612022 0.055125 LBFGSLineSearch: 5 17:07:09 -38.612456 0.045630 LBFGSLineSearch: 6 17:07:09 -38.612572 0.020913 LBFGSLineSearch: 7 17:07:09 -38.612617 0.011271 LBFGSLineSearch: 8 17:07:10 -38.612637 0.008459 LBFGSLineSearch: 9 17:07:10 -38.612647 0.006317 LBFGSLineSearch: 10 17:07:10 -38.612656 0.004696 LBFGSLineSearch: 11 17:07:11 -38.612661 0.004432 LBFGSLineSearch: 12 17:07:11 -38.612666 0.002687 LBFGSLineSearch: 13 17:07:11 -38.612667 0.001303 LBFGSLineSearch: 14 17:07:11 -38.612667 0.001060 LBFGSLineSearch: 15 17:07:11 -38.612667 0.000941 LBFGSLineSearch: 16 17:07:11 -38.612667 0.000001 Minimization converged after 16 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:16 -35.680520 0.244346 LBFGSLineSearch: 1 17:07:16 -35.687505 0.102644 LBFGSLineSearch: 2 17:07:17 -35.688659 0.082145 LBFGSLineSearch: 3 17:07:17 -35.689186 0.086484 LBFGSLineSearch: 4 17:07:17 -35.689878 0.056655 LBFGSLineSearch: 5 17:07:18 -35.690486 0.028640 LBFGSLineSearch: 6 17:07:18 -35.690574 0.015592 LBFGSLineSearch: 7 17:07:19 -35.690608 0.011732 LBFGSLineSearch: 8 17:07:20 -35.690623 0.006478 LBFGSLineSearch: 9 17:07:20 -35.690628 0.004340 LBFGSLineSearch: 10 17:07:21 -35.690633 0.004751 LBFGSLineSearch: 11 17:07:23 -35.690638 0.003847 LBFGSLineSearch: 12 17:07:24 -35.690642 0.001639 LBFGSLineSearch: 13 17:07:24 -35.690643 0.001478 LBFGSLineSearch: 14 17:07:25 -35.690643 0.001007 LBFGSLineSearch: 15 17:07:25 -35.690643 0.000024 LBFGSLineSearch: 16 17:07:25 -35.690643 0.000000 Minimization converged after 16 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:31 -32.422153 0.272374 LBFGSLineSearch: 1 17:07:32 -32.431894 0.127904 LBFGSLineSearch: 2 17:07:33 -32.433456 0.073544 LBFGSLineSearch: 3 17:07:33 -32.434073 0.127671 LBFGSLineSearch: 4 17:07:33 -32.455190 0.335508 LBFGSLineSearch: 5 17:07:34 -32.456407 0.361287 LBFGSLineSearch: 6 17:07:34 -32.471506 0.233431 LBFGSLineSearch: 7 17:07:34 -32.479655 0.257012 LBFGSLineSearch: 8 17:07:34 -32.486956 0.121949 LBFGSLineSearch: 9 17:07:34 -32.489063 0.090013 LBFGSLineSearch: 10 17:07:34 -32.491819 0.080643 LBFGSLineSearch: 11 17:07:34 -32.492973 0.080533 LBFGSLineSearch: 12 17:07:34 -32.494221 0.061420 LBFGSLineSearch: 13 17:07:34 -32.494912 0.056098 LBFGSLineSearch: 14 17:07:34 -32.495566 0.006647 LBFGSLineSearch: 15 17:07:34 -32.495575 0.002453 LBFGSLineSearch: 16 17:07:35 -32.495576 0.001888 LBFGSLineSearch: 17 17:07:35 -32.495577 0.000578 LBFGSLineSearch: 18 17:07:35 -32.495577 0.000001 Minimization converged after 18 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:39 -28.882763 0.301069 LBFGSLineSearch: 1 17:07:40 -28.895006 0.141423 LBFGSLineSearch: 2 17:07:40 -28.896888 0.066772 LBFGSLineSearch: 3 17:07:41 -28.897328 0.100101 LBFGSLineSearch: 4 17:07:41 -28.898046 0.046281 LBFGSLineSearch: 5 17:07:42 -28.898640 0.053046 LBFGSLineSearch: 6 17:07:42 -28.898824 0.023335 LBFGSLineSearch: 7 17:07:43 -28.898871 0.006097 LBFGSLineSearch: 8 17:07:43 -28.898879 0.004042 LBFGSLineSearch: 9 17:07:44 -28.898882 0.001942 LBFGSLineSearch: 10 17:07:44 -28.898882 0.001635 LBFGSLineSearch: 11 17:07:45 -28.898883 0.001565 LBFGSLineSearch: 12 17:07:45 -28.898883 0.000616 LBFGSLineSearch: 13 17:07:45 -28.898883 0.000230 LBFGSLineSearch: 14 17:07:46 -28.898883 0.000215 LBFGSLineSearch: 15 17:07:46 -28.898883 0.000185 LBFGSLineSearch: 16 17:07:47 -28.898883 0.000148 LBFGSLineSearch: 17 17:07:47 -28.898883 0.000007 Minimization converged after 17 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:52 -24.879698 0.334940 LBFGSLineSearch: 1 17:07:53 -24.895902 0.154615 LBFGSLineSearch: 2 17:07:53 -24.898985 0.044475 LBFGSLineSearch: 3 17:07:54 -24.899145 0.032525 LBFGSLineSearch: 4 17:07:55 -24.899243 0.035442 LBFGSLineSearch: 5 17:07:55 -24.899348 0.031350 LBFGSLineSearch: 6 17:07:56 -24.899526 0.031080 LBFGSLineSearch: 7 17:07:56 -24.899774 0.013746 LBFGSLineSearch: 8 17:07:57 -24.899798 0.011065 LBFGSLineSearch: 9 17:07:57 -24.899813 0.006833 LBFGSLineSearch: 10 17:07:58 -24.899824 0.005669 LBFGSLineSearch: 11 17:07:58 -24.899831 0.005076 LBFGSLineSearch: 12 17:07:58 -24.899833 0.003252 LBFGSLineSearch: 13 17:07:58 -24.899835 0.002001 LBFGSLineSearch: 14 17:07:59 -24.899836 0.002217 LBFGSLineSearch: 15 17:07:59 -24.899836 0.001454 LBFGSLineSearch: 16 17:07:59 -24.899837 0.001441 LBFGSLineSearch: 17 17:08:00 -24.899837 0.001550 LBFGSLineSearch: 18 17:08:00 -24.899837 0.000863 LBFGSLineSearch: 19 17:08:00 -24.899838 0.000587 LBFGSLineSearch: 20 17:08:01 -24.899838 0.000383 LBFGSLineSearch: 21 17:08:01 -24.899838 0.000079 LBFGSLineSearch: 22 17:08:02 -24.899838 0.000001 Minimization converged after 22 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:06 -20.433952 0.372158 LBFGSLineSearch: 1 17:08:07 -20.455422 0.180576 LBFGSLineSearch: 2 17:08:08 -20.461433 0.062230 LBFGSLineSearch: 3 17:08:09 -20.461738 0.028284 LBFGSLineSearch: 4 17:08:09 -20.461871 0.032108 LBFGSLineSearch: 5 17:08:09 -20.461937 0.032243 LBFGSLineSearch: 6 17:08:10 -20.462006 0.027366 LBFGSLineSearch: 7 17:08:11 -20.462271 0.039847 LBFGSLineSearch: 8 17:08:11 -20.462506 0.022961 LBFGSLineSearch: 9 17:08:12 -20.462709 0.015769 LBFGSLineSearch: 10 17:08:12 -20.462789 0.017905 LBFGSLineSearch: 11 17:08:13 -20.462840 0.014156 LBFGSLineSearch: 12 17:08:13 -20.462888 0.015354 LBFGSLineSearch: 13 17:08:14 -20.462923 0.008776 LBFGSLineSearch: 14 17:08:14 -20.462936 0.008159 LBFGSLineSearch: 15 17:08:15 -20.462956 0.005960 LBFGSLineSearch: 16 17:08:15 -20.462966 0.005441 LBFGSLineSearch: 17 17:08:16 -20.462972 0.001274 LBFGSLineSearch: 18 17:08:16 -20.462973 0.000154 LBFGSLineSearch: 19 17:08:17 -20.462973 0.000004 Minimization converged after 19 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:21 -15.520357 0.411886 LBFGSLineSearch: 1 17:08:21 -15.555077 0.107462 LBFGSLineSearch: 2 17:08:21 -15.555943 0.079216 LBFGSLineSearch: 3 17:08:22 -15.556364 0.091251 LBFGSLineSearch: 4 17:08:22 -15.557635 0.066058 LBFGSLineSearch: 5 17:08:22 -15.558457 0.064388 LBFGSLineSearch: 6 17:08:22 -15.559657 0.062018 LBFGSLineSearch: 7 17:08:22 -15.560659 0.042584 LBFGSLineSearch: 8 17:08:22 -15.560802 0.025832 LBFGSLineSearch: 9 17:08:22 -15.560877 0.013457 LBFGSLineSearch: 10 17:08:23 -15.560916 0.010805 LBFGSLineSearch: 11 17:08:23 -15.560930 0.007374 LBFGSLineSearch: 12 17:08:23 -15.560936 0.004532 LBFGSLineSearch: 13 17:08:23 -15.560940 0.004705 LBFGSLineSearch: 14 17:08:23 -15.560942 0.002519 LBFGSLineSearch: 15 17:08:23 -15.560942 0.000542 LBFGSLineSearch: 16 17:08:24 -15.560942 0.000179 LBFGSLineSearch: 17 17:08:24 -15.560942 0.000197 LBFGSLineSearch: 18 17:08:24 -15.560942 0.000091 LBFGSLineSearch: 19 17:08:24 -15.560942 0.000085 LBFGSLineSearch: 20 17:08:24 -15.560942 0.000040 LBFGSLineSearch: 21 17:08:25 -15.560942 0.000004 Minimization converged after 21 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:29 -10.093492 0.455625 LBFGSLineSearch: 1 17:08:30 -10.123899 0.178903 LBFGSLineSearch: 2 17:08:31 -10.129152 0.024781 LBFGSLineSearch: 3 17:08:31 -10.129271 0.034350 LBFGSLineSearch: 4 17:08:32 -10.129346 0.019495 LBFGSLineSearch: 5 17:08:33 -10.129435 0.018750 LBFGSLineSearch: 6 17:08:33 -10.129485 0.012559 LBFGSLineSearch: 7 17:08:34 -10.129574 0.011280 LBFGSLineSearch: 8 17:08:34 -10.129582 0.004951 LBFGSLineSearch: 9 17:08:35 -10.129587 0.004974 LBFGSLineSearch: 10 17:08:35 -10.129591 0.004642 LBFGSLineSearch: 11 17:08:36 -10.129600 0.002830 LBFGSLineSearch: 12 17:08:36 -10.129602 0.002430 LBFGSLineSearch: 13 17:08:36 -10.129603 0.000011 LBFGSLineSearch: 14 17:08:37 -10.129603 0.000000 Minimization converged after 14 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:42 -4.073445 0.504680 LBFGSLineSearch: 1 17:08:43 -4.110979 0.208378 LBFGSLineSearch: 2 17:08:44 -4.116800 0.052142 LBFGSLineSearch: 3 17:08:44 -4.117008 0.048550 LBFGSLineSearch: 4 17:08:45 -4.117194 0.033801 LBFGSLineSearch: 5 17:08:45 -4.117448 0.030092 LBFGSLineSearch: 6 17:08:46 -4.117645 0.031018 LBFGSLineSearch: 7 17:08:46 -4.117806 0.027070 LBFGSLineSearch: 8 17:08:47 -4.117991 0.012162 LBFGSLineSearch: 9 17:08:47 -4.118020 0.010114 LBFGSLineSearch: 10 17:08:48 -4.118027 0.008776 LBFGSLineSearch: 11 17:08:48 -4.118032 0.007985 LBFGSLineSearch: 12 17:08:48 -4.118057 0.003347 LBFGSLineSearch: 13 17:08:49 -4.118059 0.000208 LBFGSLineSearch: 14 17:08:49 -4.118059 0.000012 LBFGSLineSearch: 15 17:08:49 -4.118059 0.000000 Minimization converged after 15 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:54 2.581086 0.558262 LBFGSLineSearch: 1 17:08:54 2.537561 0.201452 LBFGSLineSearch: 2 17:08:54 2.532539 0.041700 LBFGSLineSearch: 3 17:08:54 2.532124 0.049195 LBFGSLineSearch: 4 17:08:54 2.531947 0.045397 LBFGSLineSearch: 5 17:08:54 2.531638 0.030723 LBFGSLineSearch: 6 17:08:55 2.531512 0.026060 LBFGSLineSearch: 7 17:08:55 2.531135 0.024700 LBFGSLineSearch: 8 17:08:55 2.531071 0.019043 LBFGSLineSearch: 9 17:08:55 2.531040 0.008861 LBFGSLineSearch: 10 17:08:55 2.531027 0.009292 LBFGSLineSearch: 11 17:08:55 2.531019 0.009442 LBFGSLineSearch: 12 17:08:55 2.531013 0.008395 LBFGSLineSearch: 13 17:08:56 2.530998 0.004696 LBFGSLineSearch: 14 17:08:56 2.530991 0.005072 LBFGSLineSearch: 15 17:08:56 2.530986 0.002271 LBFGSLineSearch: 16 17:08:56 2.530985 0.000652 LBFGSLineSearch: 17 17:08:56 2.530985 0.000001 Minimization converged after 17 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:01 9.939724 0.617395 LBFGSLineSearch: 1 17:09:01 9.887092 0.194827 LBFGSLineSearch: 2 17:09:01 9.882163 0.028069 LBFGSLineSearch: 3 17:09:01 9.882039 0.023242 LBFGSLineSearch: 4 17:09:01 9.881974 0.022678 LBFGSLineSearch: 5 17:09:01 9.881872 0.021473 LBFGSLineSearch: 6 17:09:01 9.881741 0.019451 LBFGSLineSearch: 7 17:09:01 9.881656 0.014822 LBFGSLineSearch: 8 17:09:02 9.881636 0.006885 LBFGSLineSearch: 9 17:09:02 9.881630 0.007146 LBFGSLineSearch: 10 17:09:02 9.881623 0.007016 LBFGSLineSearch: 11 17:09:02 9.881614 0.005535 LBFGSLineSearch: 12 17:09:03 9.881602 0.002625 LBFGSLineSearch: 13 17:09:03 9.881600 0.000435 LBFGSLineSearch: 14 17:09:03 9.881600 0.000016 LBFGSLineSearch: 15 17:09:03 9.881600 0.000000 Minimization converged after 15 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:08 18.068679 0.682257 LBFGSLineSearch: 1 17:09:08 18.005736 0.186872 LBFGSLineSearch: 2 17:09:08 18.001042 0.025768 LBFGSLineSearch: 3 17:09:08 18.000901 0.024686 LBFGSLineSearch: 4 17:09:08 18.000851 0.017710 LBFGSLineSearch: 5 17:09:09 18.000824 0.019054 LBFGSLineSearch: 6 17:09:09 18.000761 0.013173 LBFGSLineSearch: 7 17:09:09 18.000720 0.014615 LBFGSLineSearch: 8 17:09:09 18.000679 0.006365 LBFGSLineSearch: 9 17:09:10 18.000669 0.007837 LBFGSLineSearch: 10 17:09:10 18.000662 0.004659 LBFGSLineSearch: 11 17:09:10 18.000658 0.003744 LBFGSLineSearch: 12 17:09:10 18.000653 0.001891 LBFGSLineSearch: 13 17:09:11 18.000651 0.000350 LBFGSLineSearch: 14 17:09:11 18.000651 0.000025 LBFGSLineSearch: 15 17:09:11 18.000651 0.000000 Minimization converged after 15 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:16 27.039686 0.753253 LBFGSLineSearch: 1 17:09:16 26.965408 0.175523 LBFGSLineSearch: 2 17:09:16 26.961570 0.029101 LBFGSLineSearch: 3 17:09:16 26.961447 0.028826 LBFGSLineSearch: 4 17:09:17 26.961385 0.019305 LBFGSLineSearch: 5 17:09:17 26.961358 0.020291 LBFGSLineSearch: 6 17:09:17 26.961316 0.022323 LBFGSLineSearch: 7 17:09:17 26.961218 0.014882 LBFGSLineSearch: 8 17:09:18 26.961169 0.007479 LBFGSLineSearch: 9 17:09:18 26.961165 0.006487 LBFGSLineSearch: 10 17:09:19 26.961160 0.005346 LBFGSLineSearch: 11 17:09:19 26.961153 0.004821 LBFGSLineSearch: 12 17:09:19 26.961143 0.003597 LBFGSLineSearch: 13 17:09:19 26.961140 0.001349 LBFGSLineSearch: 14 17:09:20 26.961140 0.000208 LBFGSLineSearch: 15 17:09:20 26.961140 0.000000 Minimization converged after 15 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:25 36.933479 0.831028 LBFGSLineSearch: 1 17:09:25 36.846562 0.156577 LBFGSLineSearch: 2 17:09:25 36.843823 0.032767 LBFGSLineSearch: 3 17:09:26 36.843722 0.027693 LBFGSLineSearch: 4 17:09:26 36.843629 0.022106 LBFGSLineSearch: 5 17:09:26 36.843539 0.025937 LBFGSLineSearch: 6 17:09:26 36.843450 0.022299 LBFGSLineSearch: 7 17:09:26 36.843345 0.012854 LBFGSLineSearch: 8 17:09:27 36.843337 0.007154 LBFGSLineSearch: 9 17:09:27 36.843333 0.011404 LBFGSLineSearch: 10 17:09:27 36.843308 0.003780 LBFGSLineSearch: 11 17:09:27 36.843303 0.001576 LBFGSLineSearch: 12 17:09:27 36.843302 0.000881 LBFGSLineSearch: 13 17:09:27 36.843302 0.000291 LBFGSLineSearch: 14 17:09:28 36.843302 0.000065 LBFGSLineSearch: 15 17:09:28 36.843302 0.000000 Minimization converged after 15 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:33 47.837487 0.916182 LBFGSLineSearch: 1 17:09:33 47.736134 0.130372 LBFGSLineSearch: 2 17:09:33 47.734419 0.035390 LBFGSLineSearch: 3 17:09:34 47.734333 0.032844 LBFGSLineSearch: 4 17:09:34 47.734235 0.027987 LBFGSLineSearch: 5 17:09:35 47.734176 0.024569 LBFGSLineSearch: 6 17:09:35 47.734104 0.022395 LBFGSLineSearch: 7 17:09:35 47.733920 0.016314 LBFGSLineSearch: 8 17:09:36 47.733852 0.011974 LBFGSLineSearch: 9 17:09:36 47.733842 0.009755 LBFGSLineSearch: 10 17:09:36 47.733835 0.007635 LBFGSLineSearch: 11 17:09:37 47.733817 0.006610 LBFGSLineSearch: 12 17:09:37 47.733810 0.008993 LBFGSLineSearch: 13 17:09:37 47.733796 0.001817 LBFGSLineSearch: 14 17:09:38 47.733796 0.000840 LBFGSLineSearch: 15 17:09:38 47.733796 0.000234 LBFGSLineSearch: 16 17:09:38 47.733796 0.000000 Minimization converged after 16 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:42 59.845043 1.009271 LBFGSLineSearch: 1 17:09:42 59.727370 0.094567 LBFGSLineSearch: 2 17:09:42 59.726539 0.037453 LBFGSLineSearch: 3 17:09:42 59.726435 0.037654 LBFGSLineSearch: 4 17:09:43 59.726301 0.027521 LBFGSLineSearch: 5 17:09:43 59.726213 0.027473 LBFGSLineSearch: 6 17:09:43 59.726022 0.018321 LBFGSLineSearch: 7 17:09:43 59.725903 0.014721 LBFGSLineSearch: 8 17:09:44 59.725885 0.011141 LBFGSLineSearch: 9 17:09:44 59.725874 0.009790 LBFGSLineSearch: 10 17:09:44 59.725855 0.008545 LBFGSLineSearch: 11 17:09:44 59.725825 0.005868 LBFGSLineSearch: 12 17:09:44 59.725823 0.002471 LBFGSLineSearch: 13 17:09:45 59.725822 0.000762 LBFGSLineSearch: 14 17:09:45 59.725822 0.000120 LBFGSLineSearch: 15 17:09:45 59.725822 0.000004 Minimization converged after 15 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:49 73.056686 1.110905 LBFGSLineSearch: 1 17:09:50 72.921054 0.052412 LBFGSLineSearch: 2 17:09:50 72.920782 0.039454 LBFGSLineSearch: 3 17:09:50 72.920590 0.045316 LBFGSLineSearch: 4 17:09:51 72.920485 0.029900 LBFGSLineSearch: 5 17:09:51 72.920324 0.023177 LBFGSLineSearch: 6 17:09:51 72.920185 0.026980 LBFGSLineSearch: 7 17:09:51 72.920045 0.010835 LBFGSLineSearch: 8 17:09:52 72.920024 0.014576 LBFGSLineSearch: 9 17:09:52 72.920003 0.010231 LBFGSLineSearch: 10 17:09:52 72.919975 0.015061 LBFGSLineSearch: 11 17:09:52 72.919960 0.006913 LBFGSLineSearch: 12 17:09:53 72.919957 0.001145 LBFGSLineSearch: 13 17:09:53 72.919957 0.000179 LBFGSLineSearch: 14 17:09:53 72.919957 0.000010 LBFGSLineSearch: 15 17:09:53 72.919957 0.000000 Minimization converged after 15 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:59 87.581220 1.221772 LBFGSLineSearch: 1 17:10:00 87.426032 0.058645 LBFGSLineSearch: 2 17:10:01 87.425774 0.045775 LBFGSLineSearch: 3 17:10:01 87.425537 0.039934 LBFGSLineSearch: 4 17:10:01 87.425427 0.040646 LBFGSLineSearch: 5 17:10:01 87.425249 0.029760 LBFGSLineSearch: 6 17:10:01 87.425073 0.033350 LBFGSLineSearch: 7 17:10:02 87.424933 0.017001 LBFGSLineSearch: 8 17:10:02 87.424905 0.017226 LBFGSLineSearch: 9 17:10:02 87.424877 0.011852 LBFGSLineSearch: 10 17:10:02 87.424829 0.009436 LBFGSLineSearch: 11 17:10:03 87.424820 0.003597 LBFGSLineSearch: 12 17:10:03 87.424819 0.000957 LBFGSLineSearch: 13 17:10:03 87.424819 0.000391 LBFGSLineSearch: 14 17:10:03 87.424819 0.000045 LBFGSLineSearch: 15 17:10:03 87.424819 0.000002 Minimization converged after 15 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:08 103.536081 1.342606 LBFGSLineSearch: 1 17:10:09 103.359011 0.063466 LBFGSLineSearch: 2 17:10:10 103.358738 0.053933 LBFGSLineSearch: 3 17:10:10 103.358466 0.043856 LBFGSLineSearch: 4 17:10:11 103.358335 0.044110 LBFGSLineSearch: 5 17:10:11 103.358139 0.032514 LBFGSLineSearch: 6 17:10:11 103.357928 0.037523 LBFGSLineSearch: 7 17:10:12 103.357774 0.020241 LBFGSLineSearch: 8 17:10:12 103.357737 0.019724 LBFGSLineSearch: 9 17:10:13 103.357700 0.013166 LBFGSLineSearch: 10 17:10:14 103.357650 0.015284 LBFGSLineSearch: 11 17:10:15 103.357633 0.008945 LBFGSLineSearch: 12 17:10:15 103.357626 0.002131 LBFGSLineSearch: 13 17:10:15 103.357626 0.000635 LBFGSLineSearch: 14 17:10:16 103.357626 0.000025 LBFGSLineSearch: 15 17:10:16 103.357626 0.000001 Minimization converged after 15 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:21 121.047901 1.474190 LBFGSLineSearch: 1 17:10:23 120.846362 0.068768 LBFGSLineSearch: 2 17:10:24 120.846070 0.062983 LBFGSLineSearch: 3 17:10:25 120.845820 0.045428 LBFGSLineSearch: 4 17:10:26 120.845646 0.035652 LBFGSLineSearch: 5 17:10:28 120.845524 0.035347 LBFGSLineSearch: 6 17:10:28 120.845201 0.031138 LBFGSLineSearch: 7 17:10:28 120.844999 0.027238 LBFGSLineSearch: 8 17:10:28 120.844936 0.016335 LBFGSLineSearch: 9 17:10:29 120.844897 0.016778 LBFGSLineSearch: 10 17:10:29 120.844866 0.015273 LBFGSLineSearch: 11 17:10:29 120.844843 0.012699 LBFGSLineSearch: 12 17:10:29 120.844803 0.010964 LBFGSLineSearch: 13 17:10:30 120.844772 0.006190 LBFGSLineSearch: 14 17:10:30 120.844770 0.001281 LBFGSLineSearch: 15 17:10:30 120.844770 0.000301 LBFGSLineSearch: 16 17:10:31 120.844770 0.000043 LBFGSLineSearch: 17 17:10:31 120.844770 0.000001 Minimization converged after 17 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:36 140.253118 1.617362 LBFGSLineSearch: 1 17:10:36 140.024268 0.074667 LBFGSLineSearch: 2 17:10:36 140.023952 0.072959 LBFGSLineSearch: 3 17:10:37 140.023649 0.050233 LBFGSLineSearch: 4 17:10:37 140.023462 0.039530 LBFGSLineSearch: 5 17:10:37 140.023322 0.038375 LBFGSLineSearch: 6 17:10:38 140.022944 0.028501 LBFGSLineSearch: 7 17:10:38 140.022759 0.027093 LBFGSLineSearch: 8 17:10:39 140.022638 0.018620 LBFGSLineSearch: 9 17:10:40 140.022582 0.020034 LBFGSLineSearch: 10 17:10:40 140.022540 0.017598 LBFGSLineSearch: 11 17:10:41 140.022525 0.015160 LBFGSLineSearch: 12 17:10:41 140.022493 0.018329 LBFGSLineSearch: 13 17:10:42 140.022429 0.003474 LBFGSLineSearch: 14 17:10:42 140.022428 0.000795 LBFGSLineSearch: 15 17:10:43 140.022428 0.000177 LBFGSLineSearch: 16 17:10:43 140.022428 0.000017 LBFGSLineSearch: 17 17:10:43 140.022428 0.000000 Minimization converged after 17 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:48 161.298612 1.773015 LBFGSLineSearch: 1 17:10:48 161.039381 0.081398 LBFGSLineSearch: 2 17:10:49 161.039033 0.084232 LBFGSLineSearch: 3 17:10:49 161.038665 0.056027 LBFGSLineSearch: 4 17:10:49 161.038463 0.044130 LBFGSLineSearch: 5 17:10:50 161.038304 0.041895 LBFGSLineSearch: 6 17:10:50 161.037900 0.043165 LBFGSLineSearch: 7 17:10:51 161.037643 0.032272 LBFGSLineSearch: 8 17:10:51 161.037514 0.019800 LBFGSLineSearch: 9 17:10:52 161.037439 0.021922 LBFGSLineSearch: 10 17:10:52 161.037394 0.021682 LBFGSLineSearch: 11 17:10:53 161.037365 0.019381 LBFGSLineSearch: 12 17:10:53 161.037338 0.019171 LBFGSLineSearch: 13 17:10:54 161.037262 0.012145 LBFGSLineSearch: 14 17:10:54 161.037241 0.003779 LBFGSLineSearch: 15 17:10:55 161.037239 0.000608 LBFGSLineSearch: 16 17:10:55 161.037239 0.000023 LBFGSLineSearch: 17 17:10:56 161.037239 0.000003 Minimization converged after 17 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:00 184.342502 1.942106 LBFGSLineSearch: 1 17:11:00 184.049370 0.088782 LBFGSLineSearch: 2 17:11:01 184.048979 0.095599 LBFGSLineSearch: 3 17:11:01 184.048537 0.061981 LBFGSLineSearch: 4 17:11:01 184.048322 0.048948 LBFGSLineSearch: 5 17:11:01 184.048174 0.043783 LBFGSLineSearch: 6 17:11:02 184.047933 0.040041 LBFGSLineSearch: 7 17:11:02 184.047478 0.061410 LBFGSLineSearch: 8 17:11:02 184.047223 0.023949 LBFGSLineSearch: 9 17:11:02 184.047115 0.026700 LBFGSLineSearch: 10 17:11:03 184.047036 0.022114 LBFGSLineSearch: 11 17:11:03 184.046953 0.032408 LBFGSLineSearch: 12 17:11:04 184.046878 0.003364 LBFGSLineSearch: 13 17:11:04 184.046878 0.000888 LBFGSLineSearch: 14 17:11:05 184.046878 0.000027 LBFGSLineSearch: 15 17:11:06 184.046878 0.000001 Minimization converged after 15 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:12 209.554388 2.125626 LBFGSLineSearch: 1 17:11:13 209.223690 0.096715 LBFGSLineSearch: 2 17:11:13 209.223245 0.107854 LBFGSLineSearch: 3 17:11:14 209.222721 0.068756 LBFGSLineSearch: 4 17:11:15 209.222489 0.054472 LBFGSLineSearch: 5 17:11:15 209.222314 0.048887 LBFGSLineSearch: 6 17:11:16 209.222046 0.047442 LBFGSLineSearch: 7 17:11:16 209.221426 0.055395 LBFGSLineSearch: 8 17:11:16 209.221205 0.025219 LBFGSLineSearch: 9 17:11:17 209.221095 0.024018 LBFGSLineSearch: 10 17:11:18 209.221013 0.024338 LBFGSLineSearch: 11 17:11:18 209.220977 0.023317 LBFGSLineSearch: 12 17:11:19 209.220936 0.020851 LBFGSLineSearch: 13 17:11:20 209.220820 0.011447 LBFGSLineSearch: 14 17:11:21 209.220800 0.003473 LBFGSLineSearch: 15 17:11:21 209.220799 0.000505 LBFGSLineSearch: 16 17:11:21 209.220799 0.000056 LBFGSLineSearch: 17 17:11:22 209.220799 0.000005 Minimization converged after 17 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:27 237.116799 2.324669 LBFGSLineSearch: 1 17:11:27 236.744465 0.105673 LBFGSLineSearch: 2 17:11:27 236.743950 0.120769 LBFGSLineSearch: 3 17:11:28 236.743336 0.076131 LBFGSLineSearch: 4 17:11:29 236.743083 0.060732 LBFGSLineSearch: 5 17:11:29 236.742885 0.055215 LBFGSLineSearch: 6 17:11:30 236.742521 0.067229 LBFGSLineSearch: 7 17:11:30 236.741740 0.046266 LBFGSLineSearch: 8 17:11:30 236.741495 0.037803 LBFGSLineSearch: 9 17:11:31 236.741349 0.030153 LBFGSLineSearch: 10 17:11:31 236.741282 0.019774 LBFGSLineSearch: 11 17:11:31 236.741133 0.016133 LBFGSLineSearch: 12 17:11:32 236.741118 0.001936 LBFGSLineSearch: 13 17:11:32 236.741118 0.000020 LBFGSLineSearch: 14 17:11:32 236.741118 0.000000 Minimization converged after 14 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:37 267.225591 2.540373 LBFGSLineSearch: 1 17:11:37 266.807147 0.115706 LBFGSLineSearch: 2 17:11:38 266.806538 0.133937 LBFGSLineSearch: 3 17:11:38 266.805840 0.083918 LBFGSLineSearch: 4 17:11:39 266.805552 0.067694 LBFGSLineSearch: 5 17:11:39 266.805336 0.061497 LBFGSLineSearch: 6 17:11:40 266.804816 0.076759 LBFGSLineSearch: 7 17:11:40 266.803994 0.047470 LBFGSLineSearch: 8 17:11:40 266.803637 0.036973 LBFGSLineSearch: 9 17:11:41 266.803560 0.032755 LBFGSLineSearch: 10 17:11:41 266.803517 0.026317 LBFGSLineSearch: 11 17:11:42 266.803447 0.038105 LBFGSLineSearch: 12 17:11:42 266.803292 0.000618 LBFGSLineSearch: 13 17:11:43 266.803292 0.000150 LBFGSLineSearch: 14 17:11:43 266.803292 0.000001 Minimization converged after 14 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:48 300.090799 2.773959 LBFGSLineSearch: 1 17:11:49 299.621373 0.126812 LBFGSLineSearch: 2 17:11:49 299.620646 0.146989 LBFGSLineSearch: 3 17:11:49 299.619882 0.091855 LBFGSLineSearch: 4 17:11:50 299.619535 0.075255 LBFGSLineSearch: 5 17:11:50 299.619309 0.066147 LBFGSLineSearch: 6 17:11:50 299.618670 0.071948 LBFGSLineSearch: 7 17:11:50 299.617780 0.062672 LBFGSLineSearch: 8 17:11:50 299.617341 0.051441 LBFGSLineSearch: 9 17:11:50 299.617259 0.036315 LBFGSLineSearch: 10 17:11:50 299.617217 0.025202 LBFGSLineSearch: 11 17:11:51 299.617133 0.038650 LBFGSLineSearch: 12 17:11:51 299.616976 0.000350 LBFGSLineSearch: 13 17:11:51 299.616976 0.000007 Minimization converged after 13 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:56 335.937609 3.026716 LBFGSLineSearch: 1 17:11:56 335.411891 0.139108 LBFGSLineSearch: 2 17:11:57 335.411018 0.164705 LBFGSLineSearch: 3 17:11:57 335.410225 0.102883 LBFGSLineSearch: 4 17:11:57 335.409782 0.083175 LBFGSLineSearch: 5 17:11:58 335.409555 0.069504 LBFGSLineSearch: 6 17:11:59 335.408927 0.076676 LBFGSLineSearch: 7 17:12:00 335.407880 0.062458 LBFGSLineSearch: 8 17:12:01 335.407383 0.049949 LBFGSLineSearch: 9 17:12:01 335.407251 0.036946 LBFGSLineSearch: 10 17:12:02 335.407203 0.028603 LBFGSLineSearch: 11 17:12:02 335.407123 0.032791 LBFGSLineSearch: 12 17:12:02 335.406952 0.000169 LBFGSLineSearch: 13 17:12:02 335.406952 0.000004 Minimization converged after 13 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:08 375.007354 3.300036 LBFGSLineSearch: 1 17:12:08 374.419550 0.152615 LBFGSLineSearch: 2 17:12:08 374.418499 0.188044 LBFGSLineSearch: 3 17:12:08 374.417731 0.128287 LBFGSLineSearch: 4 17:12:09 374.417146 0.091182 LBFGSLineSearch: 5 17:12:09 374.416927 0.072383 LBFGSLineSearch: 6 17:12:09 374.416461 0.066286 LBFGSLineSearch: 7 17:12:09 374.415239 0.055809 LBFGSLineSearch: 8 17:12:09 374.414673 0.065595 LBFGSLineSearch: 9 17:12:10 374.414379 0.030198 LBFGSLineSearch: 10 17:12:10 374.414319 0.030712 LBFGSLineSearch: 11 17:12:11 374.414129 0.011000 LBFGSLineSearch: 12 17:12:11 374.414096 0.000127 LBFGSLineSearch: 13 17:12:11 374.414096 0.000001 Minimization converged after 13 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:16 417.558481 3.595367 LBFGSLineSearch: 1 17:12:18 416.902286 0.167558 LBFGSLineSearch: 2 17:12:20 416.901030 0.214083 LBFGSLineSearch: 3 17:12:21 416.899990 0.117430 LBFGSLineSearch: 4 17:12:22 416.899571 0.105192 LBFGSLineSearch: 5 17:12:23 416.899242 0.075188 LBFGSLineSearch: 6 17:12:23 416.898806 0.068308 LBFGSLineSearch: 7 17:12:24 416.897605 0.098906 LBFGSLineSearch: 8 17:12:24 416.896940 0.067064 LBFGSLineSearch: 9 17:12:25 416.896614 0.030767 LBFGSLineSearch: 10 17:12:25 416.896519 0.027932 LBFGSLineSearch: 11 17:12:26 416.896383 0.023799 LBFGSLineSearch: 12 17:12:26 416.896364 0.005524 LBFGSLineSearch: 13 17:12:26 416.896363 0.000004 Minimization converged after 13 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:31 463.867582 3.914269 LBFGSLineSearch: 1 17:12:32 463.136131 0.184100 LBFGSLineSearch: 2 17:12:32 463.134648 0.243003 LBFGSLineSearch: 3 17:12:33 463.133494 0.135815 LBFGSLineSearch: 4 17:12:33 463.132977 0.107021 LBFGSLineSearch: 5 17:12:33 463.132712 0.094141 LBFGSLineSearch: 6 17:12:34 463.132235 0.071780 LBFGSLineSearch: 7 17:12:34 463.131180 0.096565 LBFGSLineSearch: 8 17:12:34 463.130445 0.064859 LBFGSLineSearch: 9 17:12:34 463.130003 0.030874 LBFGSLineSearch: 10 17:12:35 463.129915 0.022940 LBFGSLineSearch: 11 17:12:35 463.129819 0.019059 LBFGSLineSearch: 12 17:12:35 463.129786 0.004936 LBFGSLineSearch: 13 17:12:35 463.129785 0.000591 LBFGSLineSearch: 14 17:12:35 463.129785 0.000013 LBFGSLineSearch: 15 17:12:35 463.129785 0.000001 Minimization converged after 15 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:40 514.230377 4.258383 LBFGSLineSearch: 1 17:12:41 513.416199 0.202500 LBFGSLineSearch: 2 17:12:41 513.414478 0.275074 LBFGSLineSearch: 3 17:12:42 513.413176 0.156172 LBFGSLineSearch: 4 17:12:42 513.412594 0.112657 LBFGSLineSearch: 5 17:12:42 513.412247 0.077519 LBFGSLineSearch: 6 17:12:42 513.411790 0.073607 LBFGSLineSearch: 7 17:12:43 513.410903 0.092933 LBFGSLineSearch: 8 17:12:43 513.410005 0.070653 LBFGSLineSearch: 9 17:12:43 513.409707 0.029087 LBFGSLineSearch: 10 17:12:43 513.409614 0.027588 LBFGSLineSearch: 11 17:12:45 513.409548 0.022214 LBFGSLineSearch: 12 17:12:45 513.409461 0.008231 LBFGSLineSearch: 13 17:12:45 513.409455 0.000785 LBFGSLineSearch: 14 17:12:45 513.409455 0.000000 Minimization converged after 14 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:50 568.962690 4.629436 LBFGSLineSearch: 1 17:12:51 568.057669 0.223158 LBFGSLineSearch: 2 17:12:51 568.055722 0.310870 LBFGSLineSearch: 3 17:12:52 568.054209 0.179126 LBFGSLineSearch: 4 17:12:53 568.053540 0.117187 LBFGSLineSearch: 5 17:12:54 568.053173 0.081691 LBFGSLineSearch: 6 17:12:54 568.052758 0.073260 LBFGSLineSearch: 7 17:12:54 568.052036 0.085559 LBFGSLineSearch: 8 17:12:54 568.051092 0.073434 LBFGSLineSearch: 9 17:12:55 568.050664 0.027570 LBFGSLineSearch: 10 17:12:55 568.050557 0.029126 LBFGSLineSearch: 11 17:12:55 568.050528 0.006700 LBFGSLineSearch: 12 17:12:56 568.050526 0.000005 Minimization converged after 12 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:01 628.401466 5.029247 LBFGSLineSearch: 1 17:13:01 627.396783 0.246545 LBFGSLineSearch: 2 17:13:01 627.394657 0.350733 LBFGSLineSearch: 3 17:13:02 627.392839 0.205259 LBFGSLineSearch: 4 17:13:02 627.392037 0.121868 LBFGSLineSearch: 5 17:13:02 627.391659 0.084456 LBFGSLineSearch: 6 17:13:02 627.391327 0.067622 LBFGSLineSearch: 7 17:13:02 627.390754 0.078837 LBFGSLineSearch: 8 17:13:03 627.389779 0.064850 LBFGSLineSearch: 9 17:13:03 627.389320 0.025604 LBFGSLineSearch: 10 17:13:03 627.389298 0.017322 LBFGSLineSearch: 11 17:13:03 627.389226 0.006259 LBFGSLineSearch: 12 17:13:04 627.389216 0.000024 LBFGSLineSearch: 13 17:13:04 627.389216 0.000000 Minimization converged after 13 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:09 692.905796 5.459715 LBFGSLineSearch: 1 17:13:09 691.993207 2.359001 LBFGSLineSearch: 2 17:13:09 691.789602 0.390718 LBFGSLineSearch: 3 17:13:09 691.787325 0.136147 LBFGSLineSearch: 4 17:13:09 691.786689 0.163871 LBFGSLineSearch: 5 17:13:10 691.786194 0.087597 LBFGSLineSearch: 6 17:13:10 691.785692 0.104032 LBFGSLineSearch: 7 17:13:10 691.785399 0.079167 LBFGSLineSearch: 8 17:13:10 691.784902 0.075676 LBFGSLineSearch: 9 17:13:10 691.784069 0.050435 LBFGSLineSearch: 10 17:13:10 691.783909 0.022300 LBFGSLineSearch: 11 17:13:10 691.783880 0.016882 LBFGSLineSearch: 12 17:13:10 691.783862 0.019129 LBFGSLineSearch: 13 17:13:10 691.783829 0.000788 LBFGSLineSearch: 14 17:13:10 691.783829 0.000067 LBFGSLineSearch: 15 17:13:10 691.783829 0.000000 Minimization converged after 15 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:16 762.857921 5.922841 LBFGSLineSearch: 1 17:13:16 761.811082 2.342098 LBFGSLineSearch: 2 17:13:16 761.622137 0.464407 LBFGSLineSearch: 3 17:13:16 761.619074 0.149880 LBFGSLineSearch: 4 17:13:17 761.618278 0.172186 LBFGSLineSearch: 5 17:13:17 761.617850 0.114064 LBFGSLineSearch: 6 17:13:18 761.617318 0.107478 LBFGSLineSearch: 7 17:13:18 761.617011 0.080885 LBFGSLineSearch: 8 17:13:18 761.616685 0.075123 LBFGSLineSearch: 9 17:13:19 761.615981 0.042959 LBFGSLineSearch: 10 17:13:19 761.615790 0.019627 LBFGSLineSearch: 11 17:13:19 761.615754 0.012494 LBFGSLineSearch: 12 17:13:19 761.615742 0.013156 LBFGSLineSearch: 13 17:13:19 761.615725 0.001569 LBFGSLineSearch: 14 17:13:20 761.615725 0.000078 LBFGSLineSearch: 15 17:13:20 761.615725 0.000001 Minimization converged after 15 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:25 838.664174 6.420705 LBFGSLineSearch: 1 17:13:25 837.467720 2.289520 LBFGSLineSearch: 2 17:13:25 837.297806 0.608000 LBFGSLineSearch: 3 17:13:26 837.293615 0.169714 LBFGSLineSearch: 4 17:13:26 837.292521 0.159597 LBFGSLineSearch: 5 17:13:26 837.292125 0.156897 LBFGSLineSearch: 6 17:13:26 837.291554 0.094937 LBFGSLineSearch: 7 17:13:26 837.291273 0.082274 LBFGSLineSearch: 8 17:13:27 837.291062 0.063674 LBFGSLineSearch: 9 17:13:27 837.290468 0.029977 LBFGSLineSearch: 10 17:13:27 837.290335 0.013228 LBFGSLineSearch: 11 17:13:27 837.290321 0.008530 LBFGSLineSearch: 12 17:13:28 837.290315 0.008854 LBFGSLineSearch: 13 17:13:28 837.290308 0.000442 LBFGSLineSearch: 14 17:13:28 837.290308 0.000016 LBFGSLineSearch: 15 17:13:28 837.290308 0.000000 Minimization converged after 15 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:33 920.755900 6.955466 LBFGSLineSearch: 1 17:13:34 919.393759 2.194129 LBFGSLineSearch: 2 17:13:34 919.247114 0.787156 LBFGSLineSearch: 3 17:13:35 919.241360 0.202208 LBFGSLineSearch: 4 17:13:36 919.239790 0.130411 LBFGSLineSearch: 5 17:13:36 919.238991 0.167427 LBFGSLineSearch: 6 17:13:37 919.238739 0.093375 LBFGSLineSearch: 7 17:13:38 919.238447 0.083761 LBFGSLineSearch: 8 17:13:38 919.238328 0.037033 LBFGSLineSearch: 9 17:13:38 919.238145 0.053741 LBFGSLineSearch: 10 17:13:39 919.237830 0.006979 LBFGSLineSearch: 11 17:13:39 919.237828 0.004342 LBFGSLineSearch: 12 17:13:40 919.237827 0.004950 LBFGSLineSearch: 13 17:13:40 919.237825 0.000007 Minimization converged after 13 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:45 1009.590050 7.529352 LBFGSLineSearch: 1 17:13:46 1008.045729 2.048801 LBFGSLineSearch: 2 17:13:47 1007.926105 1.007389 LBFGSLineSearch: 3 17:13:48 1007.918285 0.275404 LBFGSLineSearch: 4 17:13:49 1007.915966 0.160869 LBFGSLineSearch: 5 17:13:49 1007.915245 0.241176 LBFGSLineSearch: 6 17:13:50 1007.914622 0.085545 LBFGSLineSearch: 7 17:13:50 1007.914293 0.084869 LBFGSLineSearch: 8 17:13:51 1007.914138 0.025848 LBFGSLineSearch: 9 17:13:51 1007.914017 0.044429 LBFGSLineSearch: 10 17:13:52 1007.913956 0.017901 LBFGSLineSearch: 11 17:13:52 1007.913944 0.000505 LBFGSLineSearch: 12 17:13:52 1007.913944 0.000468 LBFGSLineSearch: 13 17:13:53 1007.913944 0.000115 LBFGSLineSearch: 14 17:13:53 1007.913944 0.000000 Minimization converged after 14 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:58 1105.649398 8.144621 LBFGSLineSearch: 1 17:13:59 1103.906374 1.849752 LBFGSLineSearch: 2 17:13:59 1103.816498 1.272393 LBFGSLineSearch: 3 17:14:00 1103.806157 0.391219 LBFGSLineSearch: 4 17:14:00 1103.802522 0.250913 LBFGSLineSearch: 5 17:14:01 1103.801685 0.273892 LBFGSLineSearch: 6 17:14:02 1103.800513 0.103730 LBFGSLineSearch: 7 17:14:02 1103.800108 0.084890 LBFGSLineSearch: 8 17:14:02 1103.799867 0.006548 LBFGSLineSearch: 9 17:14:03 1103.799862 0.006470 LBFGSLineSearch: 10 17:14:03 1103.799859 0.005266 LBFGSLineSearch: 11 17:14:04 1103.799857 0.001843 LBFGSLineSearch: 12 17:14:05 1103.799857 0.001836 LBFGSLineSearch: 13 17:14:05 1103.799857 0.000195 LBFGSLineSearch: 14 17:14:05 1103.799857 0.000017 LBFGSLineSearch: 15 17:14:05 1103.799857 0.000000 Minimization converged after 15 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:09 1209.442030 8.803514 LBFGSLineSearch: 1 17:14:09 1207.484285 1.581502 LBFGSLineSearch: 2 17:14:09 1207.425066 1.582613 LBFGSLineSearch: 3 17:14:09 1207.412015 0.573441 LBFGSLineSearch: 4 17:14:09 1207.405960 0.339481 LBFGSLineSearch: 5 17:14:09 1207.404647 0.324759 LBFGSLineSearch: 6 17:14:09 1207.402867 0.121042 LBFGSLineSearch: 7 17:14:10 1207.402282 0.071671 LBFGSLineSearch: 8 17:14:10 1207.401997 0.026519 LBFGSLineSearch: 9 17:14:10 1207.401947 0.034884 LBFGSLineSearch: 10 17:14:10 1207.401873 0.011670 LBFGSLineSearch: 11 17:14:10 1207.401868 0.002997 LBFGSLineSearch: 12 17:14:11 1207.401868 0.004066 LBFGSLineSearch: 13 17:14:11 1207.401867 0.000351 LBFGSLineSearch: 14 17:14:11 1207.401867 0.000001 Minimization converged after 14 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:16 1321.500693 9.508235 LBFGSLineSearch: 1 17:14:17 1319.313405 1.232730 LBFGSLineSearch: 2 17:14:18 1319.272753 1.156683 LBFGSLineSearch: 3 17:14:18 1319.261219 0.447055 LBFGSLineSearch: 4 17:14:18 1319.255938 0.402768 LBFGSLineSearch: 5 17:14:18 1319.254944 0.300170 LBFGSLineSearch: 6 17:14:19 1319.252988 0.138488 LBFGSLineSearch: 7 17:14:19 1319.252352 0.069503 LBFGSLineSearch: 8 17:14:19 1319.252249 0.050815 LBFGSLineSearch: 9 17:14:19 1319.251991 0.062962 LBFGSLineSearch: 10 17:14:20 1319.251749 0.001829 LBFGSLineSearch: 11 17:14:20 1319.251749 0.001915 LBFGSLineSearch: 12 17:14:20 1319.251749 0.000357 LBFGSLineSearch: 13 17:14:20 1319.251749 0.000004 Minimization converged after 13 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:24 1442.385264 10.261125 LBFGSLineSearch: 1 17:14:24 1439.955702 0.791056 LBFGSLineSearch: 2 17:14:25 1439.930486 1.044481 LBFGSLineSearch: 3 17:14:26 1439.920477 0.504018 LBFGSLineSearch: 4 17:14:26 1439.913500 0.440415 LBFGSLineSearch: 5 17:14:27 1439.912418 0.289841 LBFGSLineSearch: 6 17:14:27 1439.910881 0.144900 LBFGSLineSearch: 7 17:14:28 1439.910482 0.093587 LBFGSLineSearch: 8 17:14:28 1439.910295 0.080241 LBFGSLineSearch: 9 17:14:29 1439.909819 0.100890 LBFGSLineSearch: 10 17:14:29 1439.909464 0.001732 LBFGSLineSearch: 11 17:14:29 1439.909464 0.001026 LBFGSLineSearch: 12 17:14:29 1439.909464 0.000283 LBFGSLineSearch: 13 17:14:30 1439.909464 0.000004 Minimization converged after 13 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:34 1572.687223 11.064813 LBFGSLineSearch: 1 17:14:34 1570.005865 0.889105 LBFGSLineSearch: 2 17:14:34 1569.985500 1.000058 LBFGSLineSearch: 3 17:14:35 1569.976957 0.554255 LBFGSLineSearch: 4 17:14:35 1569.968855 0.425655 LBFGSLineSearch: 5 17:14:35 1569.967886 0.257924 LBFGSLineSearch: 6 17:14:36 1569.966844 0.109261 LBFGSLineSearch: 7 17:14:36 1569.966652 0.087960 LBFGSLineSearch: 8 17:14:36 1569.965709 0.148601 LBFGSLineSearch: 9 17:14:37 1569.965228 0.059236 LBFGSLineSearch: 10 17:14:37 1569.965143 0.004399 LBFGSLineSearch: 11 17:14:37 1569.965142 0.002549 LBFGSLineSearch: 12 17:14:37 1569.965141 0.000189 LBFGSLineSearch: 13 17:14:38 1569.965141 0.000003 Minimization converged after 13 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:42 1713.028597 11.921958 LBFGSLineSearch: 1 17:14:43 1710.090507 1.089315 LBFGSLineSearch: 2 17:14:43 1710.062679 1.191078 LBFGSLineSearch: 3 17:14:43 1710.052416 0.642367 LBFGSLineSearch: 4 17:14:43 1710.043095 0.356825 LBFGSLineSearch: 5 17:14:43 1710.042404 0.243783 LBFGSLineSearch: 6 17:14:44 1710.041546 0.154689 LBFGSLineSearch: 7 17:14:44 1710.041193 0.130099 LBFGSLineSearch: 8 17:14:44 1710.039714 0.203125 LBFGSLineSearch: 9 17:14:44 1710.038909 0.074917 LBFGSLineSearch: 10 17:14:45 1710.038768 0.006155 LBFGSLineSearch: 11 17:14:45 1710.038764 0.003755 LBFGSLineSearch: 12 17:14:45 1710.038764 0.000294 LBFGSLineSearch: 13 17:14:45 1710.038764 0.000101 LBFGSLineSearch: 14 17:14:46 1710.038764 0.000000 Minimization converged after 14 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:50 1864.060605 12.835154 LBFGSLineSearch: 1 17:14:51 1860.867116 1.326800 LBFGSLineSearch: 2 17:14:52 1860.814172 1.630568 LBFGSLineSearch: 3 17:14:53 1860.797821 0.788470 LBFGSLineSearch: 4 17:14:53 1860.784857 0.273056 LBFGSLineSearch: 5 17:14:54 1860.784298 0.271255 LBFGSLineSearch: 6 17:14:54 1860.783492 0.212178 LBFGSLineSearch: 7 17:14:54 1860.781290 0.287587 LBFGSLineSearch: 8 17:14:55 1860.778959 0.215734 LBFGSLineSearch: 9 17:14:55 1860.777798 0.026619 LBFGSLineSearch: 10 17:14:55 1860.777786 0.006799 LBFGSLineSearch: 11 17:14:55 1860.777783 0.008358 LBFGSLineSearch: 12 17:14:56 1860.777781 0.000163 LBFGSLineSearch: 13 17:14:56 1860.777781 0.000011 LBFGSLineSearch: 14 17:14:56 1860.777781 0.000000 Minimization converged after 14 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:00 2026.456227 13.806537 LBFGSLineSearch: 1 17:15:01 2023.016817 2.255610 LBFGSLineSearch: 2 17:15:01 2022.910380 2.207047 LBFGSLineSearch: 3 17:15:01 2022.882700 1.030315 LBFGSLineSearch: 4 17:15:02 2022.862700 0.241851 LBFGSLineSearch: 5 17:15:02 2022.861267 0.271555 LBFGSLineSearch: 6 17:15:02 2022.860766 0.320570 LBFGSLineSearch: 7 17:15:02 2022.849398 0.235810 LBFGSLineSearch: 8 17:15:03 2022.846979 0.345087 LBFGSLineSearch: 9 17:15:03 2022.845656 0.067968 LBFGSLineSearch: 10 17:15:03 2022.845493 0.012932 LBFGSLineSearch: 11 17:15:03 2022.845489 0.002699 LBFGSLineSearch: 12 17:15:03 2022.845488 0.002498 LBFGSLineSearch: 13 17:15:03 2022.845488 0.000638 LBFGSLineSearch: 14 17:15:03 2022.845488 0.000003 Minimization converged after 14 steps. Pressure: 9195.209099750382 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:08 2200.882042 14.836378 LBFGSLineSearch: 1 17:15:08 2197.114305 2.344044 LBFGSLineSearch: 2 17:15:08 2196.991905 2.454046 LBFGSLineSearch: 3 17:15:09 2196.958303 1.265097 LBFGSLineSearch: 4 17:15:09 2196.932616 0.405144 LBFGSLineSearch: 5 17:15:09 2196.930738 0.529261 LBFGSLineSearch: 6 17:15:10 2196.928507 0.544200 LBFGSLineSearch: 7 17:15:10 2196.892579 0.419696 LBFGSLineSearch: 8 17:15:10 2196.881496 0.375199 LBFGSLineSearch: 9 17:15:10 2196.880398 0.149279 LBFGSLineSearch: 10 17:15:10 2196.880176 0.017017 LBFGSLineSearch: 11 17:15:11 2196.880170 0.003176 LBFGSLineSearch: 12 17:15:11 2196.880169 0.001964 LBFGSLineSearch: 13 17:15:11 2196.880169 0.000993 LBFGSLineSearch: 14 17:15:11 2196.880169 0.000053 LBFGSLineSearch: 15 17:15:11 2196.880169 0.000002 Minimization converged after 15 steps. Pressure: 10321.273240738801 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:15 2387.911657 15.919291 Failed to get energy or crystal structure at pressure 10321.273240738801 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:16 -63.451000 0.006866 LBFGSLineSearch: 1 17:15:16 -63.451001 0.001620 LBFGSLineSearch: 2 17:15:17 -63.451002 0.000837 LBFGSLineSearch: 3 17:15:17 -63.451002 0.000198 LBFGSLineSearch: 4 17:15:18 -63.451002 0.000049 LBFGSLineSearch: 5 17:15:19 -63.451002 0.000025 LBFGSLineSearch: 6 17:15:19 -63.451002 0.000014 LBFGSLineSearch: 7 17:15:19 -63.451002 0.000008 Minimization converged after 7 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:24 -63.781865 0.027580 LBFGSLineSearch: 1 17:15:24 -63.781921 0.032180 LBFGSLineSearch: 2 17:15:25 -63.781983 0.025082 LBFGSLineSearch: 3 17:15:25 -63.782005 0.010461 LBFGSLineSearch: 4 17:15:26 -63.782028 0.010572 LBFGSLineSearch: 5 17:15:26 -63.782033 0.008272 LBFGSLineSearch: 6 17:15:27 -63.782045 0.004909 LBFGSLineSearch: 7 17:15:27 -63.782053 0.003369 LBFGSLineSearch: 8 17:15:27 -63.782055 0.004531 LBFGSLineSearch: 9 17:15:27 -63.782059 0.006481 LBFGSLineSearch: 10 17:15:27 -63.782071 0.005435 LBFGSLineSearch: 11 17:15:27 -63.782074 0.003952 LBFGSLineSearch: 12 17:15:27 -63.782083 0.002166 LBFGSLineSearch: 13 17:15:28 -63.782086 0.000343 LBFGSLineSearch: 14 17:15:28 -63.782086 0.000004 Minimization converged after 14 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:32 -64.113392 0.027612 LBFGSLineSearch: 1 17:15:33 -64.113447 0.032393 LBFGSLineSearch: 2 17:15:33 -64.113510 0.025767 LBFGSLineSearch: 3 17:15:33 -64.113533 0.010521 LBFGSLineSearch: 4 17:15:34 -64.113556 0.010704 LBFGSLineSearch: 5 17:15:34 -64.113561 0.008253 LBFGSLineSearch: 6 17:15:35 -64.113573 0.004898 LBFGSLineSearch: 7 17:15:35 -64.113581 0.003355 LBFGSLineSearch: 8 17:15:35 -64.113583 0.004535 LBFGSLineSearch: 9 17:15:36 -64.113587 0.006514 LBFGSLineSearch: 10 17:15:36 -64.113599 0.005398 LBFGSLineSearch: 11 17:15:36 -64.113602 0.003918 LBFGSLineSearch: 12 17:15:36 -64.113611 0.002070 LBFGSLineSearch: 13 17:15:36 -64.113613 0.001195 LBFGSLineSearch: 14 17:15:36 -64.113614 0.000152 LBFGSLineSearch: 15 17:15:37 -64.113614 0.000008 Minimization converged after 15 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:41 -64.445365 0.027650 LBFGSLineSearch: 1 17:15:41 -64.445419 0.032579 LBFGSLineSearch: 2 17:15:41 -64.445483 0.026440 LBFGSLineSearch: 3 17:15:42 -64.445506 0.010587 LBFGSLineSearch: 4 17:15:42 -64.445529 0.010829 LBFGSLineSearch: 5 17:15:43 -64.445535 0.008248 LBFGSLineSearch: 6 17:15:43 -64.445547 0.004852 LBFGSLineSearch: 7 17:15:44 -64.445555 0.003352 LBFGSLineSearch: 8 17:15:44 -64.445557 0.004534 LBFGSLineSearch: 9 17:15:44 -64.445561 0.006516 LBFGSLineSearch: 10 17:15:45 -64.445573 0.005352 LBFGSLineSearch: 11 17:15:46 -64.445576 0.003887 LBFGSLineSearch: 12 17:15:47 -64.445585 0.001972 LBFGSLineSearch: 13 17:15:47 -64.445587 0.001545 LBFGSLineSearch: 14 17:15:47 -64.445587 0.000602 LBFGSLineSearch: 15 17:15:47 -64.445588 0.000002 Minimization converged after 15 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:52 -64.777785 0.027685 LBFGSLineSearch: 1 17:15:52 -64.777838 0.032765 LBFGSLineSearch: 2 17:15:53 -64.777903 0.027098 LBFGSLineSearch: 3 17:15:53 -64.777927 0.010658 LBFGSLineSearch: 4 17:15:54 -64.777951 0.010918 LBFGSLineSearch: 5 17:15:54 -64.777956 0.008314 LBFGSLineSearch: 6 17:15:55 -64.777968 0.004795 LBFGSLineSearch: 7 17:15:55 -64.777976 0.003360 LBFGSLineSearch: 8 17:15:56 -64.777978 0.004535 LBFGSLineSearch: 9 17:15:56 -64.777982 0.006496 LBFGSLineSearch: 10 17:15:56 -64.777994 0.005313 LBFGSLineSearch: 11 17:15:57 -64.777997 0.003885 LBFGSLineSearch: 12 17:15:58 -64.778006 0.001842 LBFGSLineSearch: 13 17:15:58 -64.778007 0.001969 LBFGSLineSearch: 14 17:15:59 -64.778009 0.000014 LBFGSLineSearch: 15 17:15:59 -64.778009 0.000000 Minimization converged after 15 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:04 -65.110654 0.027720 LBFGSLineSearch: 1 17:16:05 -65.110706 0.032947 LBFGSLineSearch: 2 17:16:05 -65.110772 0.027753 LBFGSLineSearch: 3 17:16:06 -65.110797 0.010729 LBFGSLineSearch: 4 17:16:06 -65.110821 0.011009 LBFGSLineSearch: 5 17:16:07 -65.110826 0.008377 LBFGSLineSearch: 6 17:16:07 -65.110839 0.004737 LBFGSLineSearch: 7 17:16:08 -65.110846 0.003371 LBFGSLineSearch: 8 17:16:08 -65.110849 0.004531 LBFGSLineSearch: 9 17:16:08 -65.110853 0.006437 LBFGSLineSearch: 10 17:16:09 -65.110865 0.005284 LBFGSLineSearch: 11 17:16:09 -65.110867 0.003985 LBFGSLineSearch: 12 17:16:10 -65.110876 0.001747 LBFGSLineSearch: 13 17:16:10 -65.110877 0.001817 LBFGSLineSearch: 14 17:16:10 -65.110878 0.001603 LBFGSLineSearch: 15 17:16:11 -65.110879 0.000004 Minimization converged after 15 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:15 -65.443974 0.027761 LBFGSLineSearch: 1 17:16:16 -65.444026 0.033142 LBFGSLineSearch: 2 17:16:16 -65.444093 0.028413 LBFGSLineSearch: 3 17:16:17 -65.444118 0.010798 LBFGSLineSearch: 4 17:16:17 -65.444142 0.011099 LBFGSLineSearch: 5 17:16:18 -65.444148 0.008443 LBFGSLineSearch: 6 17:16:18 -65.444161 0.004681 LBFGSLineSearch: 7 17:16:18 -65.444168 0.003436 LBFGSLineSearch: 8 17:16:19 -65.444171 0.004519 LBFGSLineSearch: 9 17:16:19 -65.444174 0.006340 LBFGSLineSearch: 10 17:16:19 -65.444186 0.005274 LBFGSLineSearch: 11 17:16:20 -65.444189 0.004199 LBFGSLineSearch: 12 17:16:20 -65.444197 0.002005 LBFGSLineSearch: 13 17:16:20 -65.444198 0.001781 LBFGSLineSearch: 14 17:16:20 -65.444200 0.001549 LBFGSLineSearch: 15 17:16:21 -65.444200 0.000004 Minimization converged after 15 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:25 -65.777748 0.027798 LBFGSLineSearch: 1 17:16:25 -65.777799 0.033316 LBFGSLineSearch: 2 17:16:26 -65.777867 0.029056 LBFGSLineSearch: 3 17:16:26 -65.777893 0.010873 LBFGSLineSearch: 4 17:16:26 -65.777918 0.011171 LBFGSLineSearch: 5 17:16:26 -65.777923 0.008548 LBFGSLineSearch: 6 17:16:27 -65.777936 0.004663 LBFGSLineSearch: 7 17:16:27 -65.777944 0.003444 LBFGSLineSearch: 8 17:16:27 -65.777946 0.004519 LBFGSLineSearch: 9 17:16:27 -65.777950 0.006342 LBFGSLineSearch: 10 17:16:27 -65.777962 0.005246 LBFGSLineSearch: 11 17:16:27 -65.777964 0.004192 LBFGSLineSearch: 12 17:16:28 -65.777972 0.002110 LBFGSLineSearch: 13 17:16:28 -65.777974 0.001741 LBFGSLineSearch: 14 17:16:28 -65.777975 0.001434 LBFGSLineSearch: 15 17:16:28 -65.777975 0.000654 LBFGSLineSearch: 16 17:16:28 -65.777976 0.000000 Minimization converged after 16 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:33 -66.111978 0.027834 LBFGSLineSearch: 1 17:16:34 -66.112031 0.022773 LBFGSLineSearch: 2 17:16:35 -66.112110 0.017356 LBFGSLineSearch: 3 17:16:37 -66.112129 0.013563 LBFGSLineSearch: 4 17:16:38 -66.112135 0.019829 LBFGSLineSearch: 5 17:16:40 -66.112148 0.008857 LBFGSLineSearch: 6 17:16:40 -66.112154 0.006004 LBFGSLineSearch: 7 17:16:41 -66.112159 0.006678 LBFGSLineSearch: 8 17:16:42 -66.112171 0.004853 LBFGSLineSearch: 9 17:16:43 -66.112176 0.008269 LBFGSLineSearch: 10 17:16:43 -66.112181 0.004987 LBFGSLineSearch: 11 17:16:44 -66.112192 0.008485 LBFGSLineSearch: 12 17:16:44 -66.112195 0.003261 LBFGSLineSearch: 13 17:16:45 -66.112198 0.008023 LBFGSLineSearch: 14 17:16:45 -66.112205 0.002491 LBFGSLineSearch: 15 17:16:46 -66.112206 0.001329 LBFGSLineSearch: 16 17:16:46 -66.112206 0.001296 LBFGSLineSearch: 17 17:16:46 -66.112206 0.000590 LBFGSLineSearch: 18 17:16:47 -66.112207 0.000000 Minimization converged after 18 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:51 -66.446666 0.027872 LBFGSLineSearch: 1 17:16:52 -66.446740 0.037162 LBFGSLineSearch: 2 17:16:52 -66.446821 0.009598 LBFGSLineSearch: 3 17:16:53 -66.446832 0.008717 LBFGSLineSearch: 4 17:16:54 -66.446840 0.007007 LBFGSLineSearch: 5 17:16:54 -66.446857 0.008385 LBFGSLineSearch: 6 17:16:55 -66.446874 0.011741 LBFGSLineSearch: 7 17:16:56 -66.446892 0.006606 LBFGSLineSearch: 8 17:16:56 -66.446909 0.007501 LBFGSLineSearch: 9 17:16:57 -66.446919 0.013712 LBFGSLineSearch: 10 17:16:57 -66.451275 0.118946 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 10 steps. Final forces: [[-6.79300894e-02 5.12612917e-30 -5.18976216e-02] [ 6.79300894e-02 -5.12612917e-30 -5.18976216e-02] [ 6.79300894e-02 -5.12612917e-30 5.18976216e-02] [-6.79300894e-02 5.12612917e-30 5.18976216e-02] [ 1.83838329e-02 0.00000000e+00 2.82312363e-02] [-1.83838329e-02 0.00000000e+00 2.82312363e-02] [-1.83838329e-02 1.02522583e-29 -2.82312363e-02] [ 1.83838329e-02 -1.02522583e-29 -2.82312363e-02] [-3.75213272e-02 0.00000000e+00 9.97493888e-02] [ 3.75213272e-02 0.00000000e+00 9.97493888e-02] [ 3.75213272e-02 0.00000000e+00 -9.97493888e-02] [-3.75213272e-02 0.00000000e+00 -9.97493888e-02]] Final stress: [0.0148754 0.03387555 0.02717489 0. 0. 0. ] Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:02 -66.788439 0.147043 LBFGSLineSearch: 1 17:17:02 -66.791986 0.299521 LBFGSLineSearch: 2 17:17:03 -66.796010 0.201717 LBFGSLineSearch: 3 17:17:03 -66.807407 0.288998 LBFGSLineSearch: 4 17:17:04 -66.830610 0.600512 LBFGSLineSearch: 5 17:17:04 -66.865951 0.836264 LBFGSLineSearch: 6 17:17:04 -66.948126 1.237529 LBFGSLineSearch: 7 17:17:05 -67.153273 1.720985 LBFGSLineSearch: 8 17:17:05 -67.565889 1.985712 LBFGSLineSearch: 9 17:17:06 -67.726209 2.479458 LBFGSLineSearch: 10 17:17:07 -67.955073 2.001122 LBFGSLineSearch: 11 17:17:08 -68.445431 1.655558 LBFGSLineSearch: 12 17:17:09 -68.609947 1.752588 LBFGSLineSearch: 13 17:17:10 -68.754058 2.478609 LBFGSLineSearch: 14 17:17:10 -69.078655 1.188737 LBFGSLineSearch: 15 17:17:11 -69.148781 0.583074 LBFGSLineSearch: 16 17:17:12 -69.169708 0.605682 LBFGSLineSearch: 17 17:17:13 -69.190796 0.535297 LBFGSLineSearch: 18 17:17:14 -69.230009 0.589360 LBFGSLineSearch: 19 17:17:15 -69.238684 0.163288 LBFGSLineSearch: 20 17:17:15 -69.243684 0.254066 LBFGSLineSearch: 21 17:17:16 -69.252003 0.237162 LBFGSLineSearch: 22 17:17:17 -69.256928 0.174132 LBFGSLineSearch: 23 17:17:17 -69.271491 0.588181 LBFGSLineSearch: 24 17:17:17 -69.280745 0.386745 LBFGSLineSearch: 25 17:17:18 -69.282463 0.097203 LBFGSLineSearch: 26 17:17:18 -69.283224 0.039133 LBFGSLineSearch: 27 17:17:18 -69.283296 0.007484 LBFGSLineSearch: 28 17:17:19 -69.283299 0.003588 LBFGSLineSearch: 29 17:17:19 -69.283300 0.000470 LBFGSLineSearch: 30 17:17:19 -69.283300 0.000128 LBFGSLineSearch: 31 17:17:20 -69.283300 0.000016 LBFGSLineSearch: 32 17:17:20 -69.283300 0.000001 Minimization converged after 32 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:24 -69.642070 0.029897 LBFGSLineSearch: 1 17:17:24 -69.642120 0.055390 LBFGSLineSearch: 2 17:17:25 -69.642237 0.026538 LBFGSLineSearch: 3 17:17:25 -69.642279 0.016383 LBFGSLineSearch: 4 17:17:25 -69.642305 0.009938 LBFGSLineSearch: 5 17:17:25 -69.642325 0.011650 LBFGSLineSearch: 6 17:17:26 -69.642336 0.006559 LBFGSLineSearch: 7 17:17:26 -69.642343 0.007338 LBFGSLineSearch: 8 17:17:26 -69.642348 0.007610 LBFGSLineSearch: 9 17:17:27 -69.642357 0.005950 LBFGSLineSearch: 10 17:17:28 -69.642364 0.004435 LBFGSLineSearch: 11 17:17:29 -69.642366 0.002634 LBFGSLineSearch: 12 17:17:29 -69.642367 0.003263 LBFGSLineSearch: 13 17:17:30 -69.642368 0.002258 LBFGSLineSearch: 14 17:17:31 -69.642369 0.002158 LBFGSLineSearch: 15 17:17:32 -69.642370 0.000782 LBFGSLineSearch: 16 17:17:33 -69.642370 0.000373 LBFGSLineSearch: 17 17:17:34 -69.642370 0.000238 LBFGSLineSearch: 18 17:17:35 -69.642370 0.000113 LBFGSLineSearch: 19 17:17:36 -69.642370 0.000022 LBFGSLineSearch: 20 17:17:37 -69.642370 0.000000 Minimization converged after 20 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:42 -70.001740 0.029947 LBFGSLineSearch: 1 17:17:43 -70.001790 0.055820 LBFGSLineSearch: 2 17:17:45 -70.001907 0.027459 LBFGSLineSearch: 3 17:17:46 -70.001951 0.016484 LBFGSLineSearch: 4 17:17:46 -70.001977 0.010023 LBFGSLineSearch: 5 17:17:46 -70.001997 0.011545 LBFGSLineSearch: 6 17:17:46 -70.002009 0.006461 LBFGSLineSearch: 7 17:17:46 -70.002015 0.007161 LBFGSLineSearch: 8 17:17:47 -70.002020 0.007550 LBFGSLineSearch: 9 17:17:47 -70.002029 0.005235 LBFGSLineSearch: 10 17:17:47 -70.002035 0.004396 LBFGSLineSearch: 11 17:17:47 -70.002037 0.002496 LBFGSLineSearch: 12 17:17:47 -70.002038 0.003195 LBFGSLineSearch: 13 17:17:47 -70.002040 0.002191 LBFGSLineSearch: 14 17:17:47 -70.002041 0.002160 LBFGSLineSearch: 15 17:17:47 -70.002041 0.000762 LBFGSLineSearch: 16 17:17:48 -70.002041 0.000381 LBFGSLineSearch: 17 17:17:48 -70.002041 0.000237 LBFGSLineSearch: 18 17:17:48 -70.002041 0.000092 LBFGSLineSearch: 19 17:17:48 -70.002041 0.000000 Minimization converged after 19 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:52 -70.362015 0.029998 LBFGSLineSearch: 1 17:17:52 -70.362064 0.056229 LBFGSLineSearch: 2 17:17:53 -70.362183 0.028280 LBFGSLineSearch: 3 17:17:53 -70.362228 0.016536 LBFGSLineSearch: 4 17:17:53 -70.362255 0.010063 LBFGSLineSearch: 5 17:17:53 -70.362274 0.011519 LBFGSLineSearch: 6 17:17:53 -70.362287 0.006417 LBFGSLineSearch: 7 17:17:54 -70.362293 0.007042 LBFGSLineSearch: 8 17:17:54 -70.362298 0.007529 LBFGSLineSearch: 9 17:17:54 -70.362307 0.004905 LBFGSLineSearch: 10 17:17:54 -70.362313 0.004319 LBFGSLineSearch: 11 17:17:54 -70.362315 0.002563 LBFGSLineSearch: 12 17:17:54 -70.362316 0.003147 LBFGSLineSearch: 13 17:17:54 -70.362317 0.002128 LBFGSLineSearch: 14 17:17:54 -70.362318 0.002154 LBFGSLineSearch: 15 17:17:54 -70.362319 0.000682 LBFGSLineSearch: 16 17:17:55 -70.362319 0.000387 LBFGSLineSearch: 17 17:17:55 -70.362319 0.000230 LBFGSLineSearch: 18 17:17:55 -70.362319 0.000086 LBFGSLineSearch: 19 17:17:55 -70.362319 0.000000 Minimization converged after 19 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:59 -70.722900 0.030048 LBFGSLineSearch: 1 17:18:00 -70.722949 0.056620 LBFGSLineSearch: 2 17:18:00 -70.723068 0.029030 LBFGSLineSearch: 3 17:18:00 -70.723115 0.016555 LBFGSLineSearch: 4 17:18:00 -70.723142 0.010082 LBFGSLineSearch: 5 17:18:00 -70.723161 0.011550 LBFGSLineSearch: 6 17:18:00 -70.723175 0.006409 LBFGSLineSearch: 7 17:18:01 -70.723181 0.006959 LBFGSLineSearch: 8 17:18:01 -70.723186 0.007534 LBFGSLineSearch: 9 17:18:01 -70.723195 0.004702 LBFGSLineSearch: 10 17:18:01 -70.723200 0.004242 LBFGSLineSearch: 11 17:18:02 -70.723202 0.002623 LBFGSLineSearch: 12 17:18:02 -70.723203 0.003110 LBFGSLineSearch: 13 17:18:02 -70.723205 0.002072 LBFGSLineSearch: 14 17:18:02 -70.723206 0.002138 LBFGSLineSearch: 15 17:18:03 -70.723206 0.000627 LBFGSLineSearch: 16 17:18:03 -70.723206 0.000363 LBFGSLineSearch: 17 17:18:03 -70.723206 0.000018 LBFGSLineSearch: 18 17:18:03 -70.723206 0.000000 Minimization converged after 18 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:08 -71.084400 0.030100 LBFGSLineSearch: 1 17:18:08 -71.084448 0.056995 LBFGSLineSearch: 2 17:18:08 -71.084569 0.029728 LBFGSLineSearch: 3 17:18:09 -71.084617 0.016552 LBFGSLineSearch: 4 17:18:09 -71.084643 0.010093 LBFGSLineSearch: 5 17:18:09 -71.084663 0.011625 LBFGSLineSearch: 6 17:18:09 -71.084677 0.006427 LBFGSLineSearch: 7 17:18:09 -71.084684 0.006899 LBFGSLineSearch: 8 17:18:10 -71.084688 0.007556 LBFGSLineSearch: 9 17:18:10 -71.084698 0.004529 LBFGSLineSearch: 10 17:18:10 -71.084703 0.004182 LBFGSLineSearch: 11 17:18:10 -71.084704 0.002677 LBFGSLineSearch: 12 17:18:11 -71.084706 0.003079 LBFGSLineSearch: 13 17:18:11 -71.084707 0.002024 LBFGSLineSearch: 14 17:18:11 -71.084708 0.002113 LBFGSLineSearch: 15 17:18:11 -71.084709 0.000604 LBFGSLineSearch: 16 17:18:11 -71.084709 0.000350 LBFGSLineSearch: 17 17:18:12 -71.084709 0.000034 LBFGSLineSearch: 18 17:18:12 -71.084709 0.000000 Minimization converged after 18 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:17 -71.446520 0.030151 LBFGSLineSearch: 1 17:18:17 -71.446567 0.057355 LBFGSLineSearch: 2 17:18:17 -71.446689 0.030384 LBFGSLineSearch: 3 17:18:17 -71.446739 0.016531 LBFGSLineSearch: 4 17:18:17 -71.446765 0.010103 LBFGSLineSearch: 5 17:18:18 -71.446785 0.011733 LBFGSLineSearch: 6 17:18:18 -71.446800 0.006534 LBFGSLineSearch: 7 17:18:18 -71.446807 0.006854 LBFGSLineSearch: 8 17:18:18 -71.446811 0.007591 LBFGSLineSearch: 9 17:18:18 -71.446821 0.004382 LBFGSLineSearch: 10 17:18:18 -71.446824 0.003309 LBFGSLineSearch: 11 17:18:18 -71.446826 0.003567 LBFGSLineSearch: 12 17:18:18 -71.446827 0.003361 LBFGSLineSearch: 13 17:18:18 -71.446829 0.002152 LBFGSLineSearch: 14 17:18:19 -71.446830 0.001783 LBFGSLineSearch: 15 17:18:19 -71.446831 0.001042 LBFGSLineSearch: 16 17:18:19 -71.446831 0.000506 LBFGSLineSearch: 17 17:18:19 -71.446831 0.000314 LBFGSLineSearch: 18 17:18:19 -71.446831 0.000142 LBFGSLineSearch: 19 17:18:19 -71.446831 0.000006 Minimization converged after 19 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:24 -71.809265 0.030204 LBFGSLineSearch: 1 17:18:25 -71.809312 0.057740 LBFGSLineSearch: 2 17:18:25 -71.809434 0.031049 LBFGSLineSearch: 3 17:18:26 -71.809486 0.016498 LBFGSLineSearch: 4 17:18:27 -71.809511 0.010103 LBFGSLineSearch: 5 17:18:27 -71.809533 0.011884 LBFGSLineSearch: 6 17:18:28 -71.809548 0.006771 LBFGSLineSearch: 7 17:18:28 -71.809555 0.006818 LBFGSLineSearch: 8 17:18:29 -71.809559 0.007634 LBFGSLineSearch: 9 17:18:29 -71.809569 0.004264 LBFGSLineSearch: 10 17:18:30 -71.809572 0.003219 LBFGSLineSearch: 11 17:18:30 -71.809574 0.003588 LBFGSLineSearch: 12 17:18:30 -71.809575 0.003431 LBFGSLineSearch: 13 17:18:30 -71.809577 0.002117 LBFGSLineSearch: 14 17:18:30 -71.809578 0.001739 LBFGSLineSearch: 15 17:18:31 -71.809579 0.001176 LBFGSLineSearch: 16 17:18:31 -71.809579 0.000468 LBFGSLineSearch: 17 17:18:31 -71.809579 0.000327 LBFGSLineSearch: 18 17:18:31 -71.809579 0.000129 LBFGSLineSearch: 19 17:18:31 -71.809579 0.000005 Minimization converged after 19 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:36 -72.172642 0.030257 LBFGSLineSearch: 1 17:18:36 -72.172688 0.058075 LBFGSLineSearch: 2 17:18:36 -72.172811 0.031646 LBFGSLineSearch: 3 17:18:36 -72.172864 0.016454 LBFGSLineSearch: 4 17:18:37 -72.172890 0.010121 LBFGSLineSearch: 5 17:18:37 -72.172912 0.012039 LBFGSLineSearch: 6 17:18:37 -72.172928 0.007000 LBFGSLineSearch: 7 17:18:37 -72.172935 0.006792 LBFGSLineSearch: 8 17:18:37 -72.172939 0.007683 LBFGSLineSearch: 9 17:18:37 -72.172949 0.004160 LBFGSLineSearch: 10 17:18:37 -72.172952 0.003158 LBFGSLineSearch: 11 17:18:37 -72.172954 0.003612 LBFGSLineSearch: 12 17:18:37 -72.172955 0.003501 LBFGSLineSearch: 13 17:18:37 -72.172956 0.002088 LBFGSLineSearch: 14 17:18:38 -72.172958 0.001695 LBFGSLineSearch: 15 17:18:38 -72.172958 0.001302 LBFGSLineSearch: 16 17:18:38 -72.172959 0.000488 LBFGSLineSearch: 17 17:18:38 -72.172959 0.000337 LBFGSLineSearch: 18 17:18:38 -72.172959 0.000114 LBFGSLineSearch: 19 17:18:38 -72.172959 0.000004 Minimization converged after 19 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:43 -72.536656 0.030310 LBFGSLineSearch: 1 17:18:43 -72.536701 0.058396 LBFGSLineSearch: 2 17:18:43 -72.536825 0.032217 LBFGSLineSearch: 3 17:18:43 -72.536879 0.016400 LBFGSLineSearch: 4 17:18:43 -72.536905 0.010147 LBFGSLineSearch: 5 17:18:44 -72.536928 0.012208 LBFGSLineSearch: 6 17:18:44 -72.536945 0.007226 LBFGSLineSearch: 7 17:18:44 -72.536952 0.006771 LBFGSLineSearch: 8 17:18:44 -72.536956 0.007737 LBFGSLineSearch: 9 17:18:44 -72.536966 0.004075 LBFGSLineSearch: 10 17:18:44 -72.536969 0.003187 LBFGSLineSearch: 11 17:18:44 -72.536970 0.003639 LBFGSLineSearch: 12 17:18:45 -72.536972 0.003570 LBFGSLineSearch: 13 17:18:45 -72.536973 0.002069 LBFGSLineSearch: 14 17:18:45 -72.536975 0.001652 LBFGSLineSearch: 15 17:18:45 -72.536975 0.001409 LBFGSLineSearch: 16 17:18:45 -72.536975 0.000590 LBFGSLineSearch: 17 17:18:45 -72.536975 0.000345 LBFGSLineSearch: 18 17:18:45 -72.536975 0.000119 LBFGSLineSearch: 19 17:18:45 -72.536975 0.000003 Minimization converged after 19 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:50 -72.901313 0.030363 LBFGSLineSearch: 1 17:18:50 -72.901357 0.058707 LBFGSLineSearch: 2 17:18:50 -72.901483 0.032770 LBFGSLineSearch: 3 17:18:50 -72.901538 0.016340 LBFGSLineSearch: 4 17:18:50 -72.901564 0.010179 LBFGSLineSearch: 5 17:18:50 -72.901588 0.012392 LBFGSLineSearch: 6 17:18:50 -72.901605 0.007447 LBFGSLineSearch: 7 17:18:50 -72.901612 0.006752 LBFGSLineSearch: 8 17:18:50 -72.901616 0.007793 LBFGSLineSearch: 9 17:18:50 -72.901626 0.004008 LBFGSLineSearch: 10 17:18:51 -72.901629 0.003229 LBFGSLineSearch: 11 17:18:51 -72.901631 0.003667 LBFGSLineSearch: 12 17:18:51 -72.901632 0.003637 LBFGSLineSearch: 13 17:18:51 -72.901633 0.002057 LBFGSLineSearch: 14 17:18:51 -72.901635 0.001608 LBFGSLineSearch: 15 17:18:52 -72.901635 0.001473 LBFGSLineSearch: 16 17:18:52 -72.901636 0.000485 LBFGSLineSearch: 17 17:18:52 -72.901636 0.000106 LBFGSLineSearch: 18 17:18:53 -72.901636 0.000003 Minimization converged after 18 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:57 -73.266620 0.030416 LBFGSLineSearch: 1 17:18:58 -73.266664 0.059019 LBFGSLineSearch: 2 17:18:58 -73.266790 0.033316 LBFGSLineSearch: 3 17:18:58 -73.266847 0.016273 LBFGSLineSearch: 4 17:18:58 -73.266879 0.019148 LBFGSLineSearch: 5 17:18:58 -73.266918 0.008554 LBFGSLineSearch: 6 17:18:58 -73.266923 0.007191 LBFGSLineSearch: 7 17:18:59 -73.266934 0.004990 LBFGSLineSearch: 8 17:18:59 -73.266938 0.005380 LBFGSLineSearch: 9 17:18:59 -73.266941 0.003203 LBFGSLineSearch: 10 17:18:59 -73.266943 0.003089 LBFGSLineSearch: 11 17:18:59 -73.266944 0.002535 LBFGSLineSearch: 12 17:18:59 -73.266946 0.001192 LBFGSLineSearch: 13 17:19:00 -73.266946 0.000082 LBFGSLineSearch: 14 17:19:00 -73.266946 0.000001 Minimization converged after 14 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:04 -73.632583 0.030470 LBFGSLineSearch: 1 17:19:04 -73.632627 0.059297 LBFGSLineSearch: 2 17:19:04 -73.632754 0.033831 LBFGSLineSearch: 3 17:19:04 -73.632812 0.016203 LBFGSLineSearch: 4 17:19:04 -73.632845 0.019426 LBFGSLineSearch: 5 17:19:04 -73.632885 0.008594 LBFGSLineSearch: 6 17:19:04 -73.632891 0.007253 LBFGSLineSearch: 7 17:19:04 -73.632901 0.005656 LBFGSLineSearch: 8 17:19:04 -73.632906 0.004122 LBFGSLineSearch: 9 17:19:05 -73.632908 0.003468 LBFGSLineSearch: 10 17:19:05 -73.632909 0.003044 LBFGSLineSearch: 11 17:19:05 -73.632910 0.002473 LBFGSLineSearch: 12 17:19:05 -73.632912 0.002532 LBFGSLineSearch: 13 17:19:05 -73.632913 0.000939 LBFGSLineSearch: 14 17:19:05 -73.632913 0.000109 LBFGSLineSearch: 15 17:19:05 -73.632913 0.000001 Minimization converged after 15 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:09 -73.999211 0.030525 LBFGSLineSearch: 1 17:19:09 -73.999254 0.059605 LBFGSLineSearch: 2 17:19:09 -73.999382 0.034357 LBFGSLineSearch: 3 17:19:09 -73.999441 0.016124 LBFGSLineSearch: 4 17:19:10 -73.999474 0.019772 LBFGSLineSearch: 5 17:19:10 -73.999515 0.008610 LBFGSLineSearch: 6 17:19:10 -73.999521 0.007336 LBFGSLineSearch: 7 17:19:10 -73.999531 0.006398 LBFGSLineSearch: 8 17:19:10 -73.999538 0.004856 LBFGSLineSearch: 9 17:19:11 -73.999539 0.002324 LBFGSLineSearch: 10 17:19:11 -73.999541 0.003373 LBFGSLineSearch: 11 17:19:11 -73.999543 0.002066 LBFGSLineSearch: 12 17:19:11 -73.999543 0.001106 LBFGSLineSearch: 13 17:19:11 -73.999543 0.000514 LBFGSLineSearch: 14 17:19:11 -73.999543 0.000136 LBFGSLineSearch: 15 17:19:11 -73.999543 0.000015 LBFGSLineSearch: 16 17:19:11 -73.999543 0.000000 Minimization converged after 16 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:16 -74.366508 0.030580 LBFGSLineSearch: 1 17:19:17 -74.366551 0.059894 LBFGSLineSearch: 2 17:19:17 -74.366679 0.034875 LBFGSLineSearch: 3 17:19:18 -74.366740 0.016045 LBFGSLineSearch: 4 17:19:18 -74.366774 0.020136 LBFGSLineSearch: 5 17:19:18 -74.366817 0.008617 LBFGSLineSearch: 6 17:19:19 -74.366823 0.007410 LBFGSLineSearch: 7 17:19:19 -74.366832 0.006439 LBFGSLineSearch: 8 17:19:19 -74.366839 0.004899 LBFGSLineSearch: 9 17:19:19 -74.366840 0.002205 LBFGSLineSearch: 10 17:19:19 -74.366842 0.003261 LBFGSLineSearch: 11 17:19:20 -74.366844 0.002177 LBFGSLineSearch: 12 17:19:20 -74.366844 0.001095 LBFGSLineSearch: 13 17:19:20 -74.366844 0.000570 LBFGSLineSearch: 14 17:19:20 -74.366845 0.000170 LBFGSLineSearch: 15 17:19:20 -74.366845 0.000010 LBFGSLineSearch: 16 17:19:20 -74.366845 0.000000 Minimization converged after 16 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:25 -74.734483 0.030637 LBFGSLineSearch: 1 17:19:25 -74.734525 0.060181 LBFGSLineSearch: 2 17:19:25 -74.734655 0.035385 LBFGSLineSearch: 3 17:19:25 -74.734717 0.015962 LBFGSLineSearch: 4 17:19:25 -74.734751 0.020531 LBFGSLineSearch: 5 17:19:25 -74.734795 0.008611 LBFGSLineSearch: 6 17:19:26 -74.734802 0.007506 LBFGSLineSearch: 7 17:19:26 -74.734811 0.006464 LBFGSLineSearch: 8 17:19:26 -74.734818 0.004870 LBFGSLineSearch: 9 17:19:26 -74.734819 0.003547 LBFGSLineSearch: 10 17:19:26 -74.734820 0.003408 LBFGSLineSearch: 11 17:19:26 -74.734822 0.003257 LBFGSLineSearch: 12 17:19:26 -74.734823 0.001156 LBFGSLineSearch: 13 17:19:26 -74.734823 0.000259 LBFGSLineSearch: 14 17:19:27 -74.734823 0.000013 LBFGSLineSearch: 15 17:19:27 -74.734823 0.000000 Minimization converged after 15 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:31 -75.103144 0.030693 LBFGSLineSearch: 1 17:19:31 -75.103185 0.060462 LBFGSLineSearch: 2 17:19:31 -75.103316 0.035887 LBFGSLineSearch: 3 17:19:32 -75.103379 0.015875 LBFGSLineSearch: 4 17:19:32 -75.103414 0.020951 LBFGSLineSearch: 5 17:19:32 -75.103460 0.008594 LBFGSLineSearch: 6 17:19:32 -75.103467 0.007938 LBFGSLineSearch: 7 17:19:32 -75.103475 0.006486 LBFGSLineSearch: 8 17:19:32 -75.103482 0.004799 LBFGSLineSearch: 9 17:19:32 -75.103483 0.003600 LBFGSLineSearch: 10 17:19:33 -75.103484 0.003283 LBFGSLineSearch: 11 17:19:33 -75.103486 0.002798 LBFGSLineSearch: 12 17:19:33 -75.103488 0.001147 LBFGSLineSearch: 13 17:19:33 -75.103488 0.000260 LBFGSLineSearch: 14 17:19:33 -75.103488 0.000013 LBFGSLineSearch: 15 17:19:33 -75.103488 0.000000 Minimization converged after 15 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:38 -75.472497 0.030751 LBFGSLineSearch: 1 17:19:38 -75.472538 0.060739 LBFGSLineSearch: 2 17:19:38 -75.472669 0.036385 LBFGSLineSearch: 3 17:19:38 -75.472734 0.015784 LBFGSLineSearch: 4 17:19:38 -75.472770 0.021395 LBFGSLineSearch: 5 17:19:38 -75.472817 0.008566 LBFGSLineSearch: 6 17:19:39 -75.472824 0.008239 LBFGSLineSearch: 7 17:19:39 -75.472832 0.006526 LBFGSLineSearch: 8 17:19:39 -75.472839 0.004703 LBFGSLineSearch: 9 17:19:39 -75.472840 0.003653 LBFGSLineSearch: 10 17:19:39 -75.472841 0.003153 LBFGSLineSearch: 11 17:19:39 -75.472844 0.002642 LBFGSLineSearch: 12 17:19:39 -75.472845 0.001133 LBFGSLineSearch: 13 17:19:40 -75.472845 0.000237 LBFGSLineSearch: 14 17:19:40 -75.472845 0.000011 LBFGSLineSearch: 15 17:19:41 -75.472845 0.000000 Minimization converged after 15 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:45 -75.842551 0.030809 LBFGSLineSearch: 1 17:19:45 -75.842592 0.061012 LBFGSLineSearch: 2 17:19:45 -75.842724 0.036877 LBFGSLineSearch: 3 17:19:45 -75.842789 0.015691 LBFGSLineSearch: 4 17:19:46 -75.842826 0.021861 LBFGSLineSearch: 5 17:19:46 -75.842874 0.008528 LBFGSLineSearch: 6 17:19:46 -75.842883 0.008349 LBFGSLineSearch: 7 17:19:46 -75.842890 0.006617 LBFGSLineSearch: 8 17:19:46 -75.842898 0.004610 LBFGSLineSearch: 9 17:19:46 -75.842898 0.003706 LBFGSLineSearch: 10 17:19:46 -75.842899 0.003102 LBFGSLineSearch: 11 17:19:46 -75.842902 0.002341 LBFGSLineSearch: 12 17:19:47 -75.842903 0.001080 LBFGSLineSearch: 13 17:19:47 -75.842903 0.000202 LBFGSLineSearch: 14 17:19:47 -75.842903 0.000008 Minimization converged after 14 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:51 -76.213314 0.030866 LBFGSLineSearch: 1 17:19:51 -76.213355 0.061310 LBFGSLineSearch: 2 17:19:52 -76.213487 0.037380 LBFGSLineSearch: 3 17:19:52 -76.213554 0.015590 LBFGSLineSearch: 4 17:19:52 -76.213592 0.022371 LBFGSLineSearch: 5 17:19:52 -76.213641 0.008477 LBFGSLineSearch: 6 17:19:52 -76.213651 0.008238 LBFGSLineSearch: 7 17:19:53 -76.213657 0.006804 LBFGSLineSearch: 8 17:19:53 -76.213665 0.004565 LBFGSLineSearch: 9 17:19:54 -76.213665 0.003762 LBFGSLineSearch: 10 17:19:54 -76.213667 0.003281 LBFGSLineSearch: 11 17:19:54 -76.213669 0.001647 LBFGSLineSearch: 12 17:19:55 -76.213670 0.000837 LBFGSLineSearch: 13 17:19:55 -76.213670 0.000273 LBFGSLineSearch: 14 17:19:55 -76.213670 0.000099 LBFGSLineSearch: 15 17:19:55 -76.213670 0.000000 Minimization converged after 15 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:00 -76.584795 0.030927 LBFGSLineSearch: 1 17:20:01 -76.584834 0.061545 LBFGSLineSearch: 2 17:20:01 -76.584967 0.037851 LBFGSLineSearch: 3 17:20:01 -76.585036 0.015497 LBFGSLineSearch: 4 17:20:01 -76.585075 0.022847 LBFGSLineSearch: 5 17:20:02 -76.585125 0.008428 LBFGSLineSearch: 6 17:20:02 -76.585135 0.007504 LBFGSLineSearch: 7 17:20:02 -76.585141 0.006919 LBFGSLineSearch: 8 17:20:02 -76.585149 0.004025 LBFGSLineSearch: 9 17:20:03 -76.585150 0.003805 LBFGSLineSearch: 10 17:20:03 -76.585151 0.003319 LBFGSLineSearch: 11 17:20:03 -76.585154 0.001673 LBFGSLineSearch: 12 17:20:04 -76.585154 0.000842 LBFGSLineSearch: 13 17:20:04 -76.585155 0.000406 LBFGSLineSearch: 14 17:20:04 -76.585155 0.000106 LBFGSLineSearch: 15 17:20:05 -76.585155 0.000018 LBFGSLineSearch: 16 17:20:05 -76.585155 0.000000 Minimization converged after 16 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:10 -76.957000 0.030987 LBFGSLineSearch: 1 17:20:10 -76.957040 0.061806 LBFGSLineSearch: 2 17:20:10 -76.957173 0.038332 LBFGSLineSearch: 3 17:20:10 -76.957243 0.015397 LBFGSLineSearch: 4 17:20:10 -76.957284 0.023362 LBFGSLineSearch: 5 17:20:11 -76.957335 0.008367 LBFGSLineSearch: 6 17:20:11 -76.957346 0.006803 LBFGSLineSearch: 7 17:20:11 -76.957351 0.007122 LBFGSLineSearch: 8 17:20:11 -76.957359 0.003801 LBFGSLineSearch: 9 17:20:11 -76.957360 0.003834 LBFGSLineSearch: 10 17:20:12 -76.957361 0.003148 LBFGSLineSearch: 11 17:20:12 -76.957364 0.001943 LBFGSLineSearch: 12 17:20:12 -76.957364 0.001387 LBFGSLineSearch: 13 17:20:12 -76.957365 0.000637 LBFGSLineSearch: 14 17:20:12 -76.957365 0.000007 Minimization converged after 14 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:17 -77.329941 0.031049 LBFGSLineSearch: 1 17:20:17 -77.329980 0.062085 LBFGSLineSearch: 2 17:20:17 -77.330114 0.038829 LBFGSLineSearch: 3 17:20:18 -77.330185 0.015290 LBFGSLineSearch: 4 17:20:18 -77.330227 0.023909 LBFGSLineSearch: 5 17:20:18 -77.330279 0.008297 LBFGSLineSearch: 6 17:20:18 -77.330291 0.006857 LBFGSLineSearch: 7 17:20:18 -77.330296 0.007629 LBFGSLineSearch: 8 17:20:18 -77.330304 0.004131 LBFGSLineSearch: 9 17:20:19 -77.330305 0.003656 LBFGSLineSearch: 10 17:20:19 -77.330307 0.002301 LBFGSLineSearch: 11 17:20:19 -77.330308 0.002041 LBFGSLineSearch: 12 17:20:19 -77.330309 0.001905 LBFGSLineSearch: 13 17:20:19 -77.330309 0.001061 LBFGSLineSearch: 14 17:20:19 -77.330310 0.000587 LBFGSLineSearch: 15 17:20:20 -77.330310 0.000435 LBFGSLineSearch: 16 17:20:20 -77.330310 0.000175 LBFGSLineSearch: 17 17:20:20 -77.330310 0.000030 LBFGSLineSearch: 18 17:20:20 -77.330310 0.000001 Minimization converged after 18 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:24 -77.703625 0.031110 LBFGSLineSearch: 1 17:20:25 -77.703664 0.062318 LBFGSLineSearch: 2 17:20:25 -77.703798 0.039287 LBFGSLineSearch: 3 17:20:25 -77.703871 0.015190 LBFGSLineSearch: 4 17:20:25 -77.703914 0.024419 LBFGSLineSearch: 5 17:20:25 -77.703967 0.008232 LBFGSLineSearch: 6 17:20:25 -77.703980 0.007008 LBFGSLineSearch: 7 17:20:25 -77.703984 0.008540 LBFGSLineSearch: 8 17:20:25 -77.703993 0.004524 LBFGSLineSearch: 9 17:20:25 -77.703994 0.003074 LBFGSLineSearch: 10 17:20:26 -77.703996 0.002249 LBFGSLineSearch: 11 17:20:26 -77.703998 0.001329 LBFGSLineSearch: 12 17:20:26 -77.703998 0.000764 LBFGSLineSearch: 13 17:20:26 -77.703998 0.000637 LBFGSLineSearch: 14 17:20:26 -77.703998 0.000238 LBFGSLineSearch: 15 17:20:26 -77.703998 0.000059 LBFGSLineSearch: 16 17:20:26 -77.703998 0.000004 Minimization converged after 16 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:31 -78.078062 0.031175 LBFGSLineSearch: 1 17:20:31 -78.078092 0.033773 LBFGSLineSearch: 2 17:20:31 -78.078235 0.039672 LBFGSLineSearch: 3 17:20:32 -78.078309 0.016641 LBFGSLineSearch: 4 17:20:32 -78.078354 0.021905 LBFGSLineSearch: 5 17:20:32 -78.078408 0.008449 LBFGSLineSearch: 6 17:20:32 -78.078420 0.009742 LBFGSLineSearch: 7 17:20:32 -78.078425 0.009502 LBFGSLineSearch: 8 17:20:32 -78.078434 0.004189 LBFGSLineSearch: 9 17:20:33 -78.078435 0.004026 LBFGSLineSearch: 10 17:20:33 -78.078436 0.003226 LBFGSLineSearch: 11 17:20:33 -78.078438 0.002171 LBFGSLineSearch: 12 17:20:33 -78.078440 0.000766 LBFGSLineSearch: 13 17:20:33 -78.078440 0.000283 LBFGSLineSearch: 14 17:20:33 -78.078440 0.000035 LBFGSLineSearch: 15 17:20:33 -78.078440 0.000000 Minimization converged after 15 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:38 -78.453261 0.031235 LBFGSLineSearch: 1 17:20:38 -78.453291 0.034384 LBFGSLineSearch: 2 17:20:38 -78.453434 0.040159 LBFGSLineSearch: 3 17:20:38 -78.453510 0.016929 LBFGSLineSearch: 4 17:20:38 -78.453557 0.022145 LBFGSLineSearch: 5 17:20:38 -78.453611 0.008745 LBFGSLineSearch: 6 17:20:39 -78.453625 0.009055 LBFGSLineSearch: 7 17:20:39 -78.453629 0.010505 LBFGSLineSearch: 8 17:20:39 -78.453638 0.004870 LBFGSLineSearch: 9 17:20:39 -78.453639 0.002737 LBFGSLineSearch: 10 17:20:39 -78.453641 0.003150 LBFGSLineSearch: 11 17:20:40 -78.453643 0.001395 LBFGSLineSearch: 12 17:20:40 -78.453644 0.000847 LBFGSLineSearch: 13 17:20:40 -78.453644 0.000450 LBFGSLineSearch: 14 17:20:40 -78.453644 0.000133 LBFGSLineSearch: 15 17:20:40 -78.453644 0.000000 Minimization converged after 15 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:45 -78.829232 0.031299 LBFGSLineSearch: 1 17:20:45 -78.829263 0.035010 LBFGSLineSearch: 2 17:20:46 -78.829406 0.040634 LBFGSLineSearch: 3 17:20:46 -78.829483 0.017219 LBFGSLineSearch: 4 17:20:46 -78.829531 0.022388 LBFGSLineSearch: 5 17:20:46 -78.829586 0.009083 LBFGSLineSearch: 6 17:20:47 -78.829601 0.008884 LBFGSLineSearch: 7 17:20:47 -78.829606 0.011668 LBFGSLineSearch: 8 17:20:47 -78.829614 0.005436 LBFGSLineSearch: 9 17:20:47 -78.829616 0.003397 LBFGSLineSearch: 10 17:20:47 -78.829617 0.004558 LBFGSLineSearch: 11 17:20:47 -78.829619 0.001540 LBFGSLineSearch: 12 17:20:48 -78.829620 0.000886 LBFGSLineSearch: 13 17:20:48 -78.829620 0.000404 LBFGSLineSearch: 14 17:20:48 -78.829620 0.000127 LBFGSLineSearch: 15 17:20:48 -78.829620 0.000000 Minimization converged after 15 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:53 -79.205986 0.031364 LBFGSLineSearch: 1 17:20:53 -79.206016 0.035644 LBFGSLineSearch: 2 17:20:53 -79.206159 0.041108 LBFGSLineSearch: 3 17:20:53 -79.206238 0.017516 LBFGSLineSearch: 4 17:20:53 -79.206289 0.022634 LBFGSLineSearch: 5 17:20:53 -79.206344 0.009461 LBFGSLineSearch: 6 17:20:54 -79.206360 0.008702 LBFGSLineSearch: 7 17:20:54 -79.206365 0.012900 LBFGSLineSearch: 8 17:20:54 -79.206373 0.005384 LBFGSLineSearch: 9 17:20:54 -79.206375 0.003060 LBFGSLineSearch: 10 17:20:55 -79.206376 0.004956 LBFGSLineSearch: 11 17:20:55 -79.206378 0.001622 LBFGSLineSearch: 12 17:20:55 -79.206379 0.000912 LBFGSLineSearch: 13 17:20:55 -79.206379 0.000419 LBFGSLineSearch: 14 17:20:55 -79.206379 0.000140 LBFGSLineSearch: 15 17:20:55 -79.206379 0.000000 Minimization converged after 15 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:00 -79.583533 0.031429 LBFGSLineSearch: 1 17:21:01 -79.583563 0.036287 LBFGSLineSearch: 2 17:21:01 -79.583706 0.041580 LBFGSLineSearch: 3 17:21:01 -79.583786 0.017817 LBFGSLineSearch: 4 17:21:01 -79.583839 0.022881 LBFGSLineSearch: 5 17:21:02 -79.583895 0.009873 LBFGSLineSearch: 6 17:21:02 -79.583912 0.008515 LBFGSLineSearch: 7 17:21:02 -79.583917 0.014076 LBFGSLineSearch: 8 17:21:02 -79.583924 0.005389 LBFGSLineSearch: 9 17:21:02 -79.583926 0.002672 LBFGSLineSearch: 10 17:21:03 -79.583927 0.005371 LBFGSLineSearch: 11 17:21:03 -79.583930 0.001429 LBFGSLineSearch: 12 17:21:03 -79.583931 0.000939 LBFGSLineSearch: 13 17:21:03 -79.583931 0.000516 LBFGSLineSearch: 14 17:21:03 -79.583931 0.000205 LBFGSLineSearch: 15 17:21:03 -79.583931 0.000000 Minimization converged after 15 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:08 -79.961883 0.031496 LBFGSLineSearch: 1 17:21:08 -79.961913 0.036939 LBFGSLineSearch: 2 17:21:09 -79.962056 0.042052 LBFGSLineSearch: 3 17:21:09 -79.962138 0.018125 LBFGSLineSearch: 4 17:21:09 -79.962192 0.023129 LBFGSLineSearch: 5 17:21:09 -79.962249 0.010316 LBFGSLineSearch: 6 17:21:09 -79.962267 0.008330 LBFGSLineSearch: 7 17:21:09 -79.962273 0.015020 LBFGSLineSearch: 8 17:21:09 -79.962280 0.005451 LBFGSLineSearch: 9 17:21:10 -79.962282 0.002271 LBFGSLineSearch: 10 17:21:10 -79.962283 0.005833 LBFGSLineSearch: 11 17:21:10 -79.962286 0.001044 LBFGSLineSearch: 12 17:21:10 -79.962286 0.000920 LBFGSLineSearch: 13 17:21:10 -79.962286 0.000012 LBFGSLineSearch: 14 17:21:10 -79.962286 0.000000 Minimization converged after 14 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:14 -80.341047 0.031563 LBFGSLineSearch: 1 17:21:15 -80.341078 0.037599 LBFGSLineSearch: 2 17:21:15 -80.341220 0.042524 LBFGSLineSearch: 3 17:21:15 -80.341304 0.018438 LBFGSLineSearch: 4 17:21:15 -80.341360 0.023378 LBFGSLineSearch: 5 17:21:15 -80.341418 0.010787 LBFGSLineSearch: 6 17:21:15 -80.341437 0.008149 LBFGSLineSearch: 7 17:21:15 -80.341443 0.015540 LBFGSLineSearch: 8 17:21:15 -80.341450 0.005562 LBFGSLineSearch: 9 17:21:15 -80.341452 0.002150 LBFGSLineSearch: 10 17:21:16 -80.341453 0.006346 LBFGSLineSearch: 11 17:21:16 -80.341456 0.001355 LBFGSLineSearch: 12 17:21:16 -80.341457 0.001229 LBFGSLineSearch: 13 17:21:16 -80.341457 0.000174 LBFGSLineSearch: 14 17:21:17 -80.341457 0.000000 Minimization converged after 14 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:21 -80.721038 0.031632 LBFGSLineSearch: 1 17:21:21 -80.721068 0.038270 LBFGSLineSearch: 2 17:21:21 -80.721211 0.042996 LBFGSLineSearch: 3 17:21:21 -80.721296 0.018757 LBFGSLineSearch: 4 17:21:21 -80.721354 0.023626 LBFGSLineSearch: 5 17:21:22 -80.721412 0.011282 LBFGSLineSearch: 6 17:21:22 -80.721433 0.007975 LBFGSLineSearch: 7 17:21:22 -80.721440 0.013680 LBFGSLineSearch: 8 17:21:22 -80.721446 0.004177 LBFGSLineSearch: 9 17:21:23 -80.721448 0.005801 LBFGSLineSearch: 10 17:21:23 -80.721449 0.003198 LBFGSLineSearch: 11 17:21:23 -80.721453 0.001505 LBFGSLineSearch: 12 17:21:24 -80.721453 0.001856 LBFGSLineSearch: 13 17:21:24 -80.721453 0.000392 LBFGSLineSearch: 14 17:21:24 -80.721453 0.000000 Minimization converged after 14 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:29 -81.101867 0.031701 LBFGSLineSearch: 1 17:21:29 -81.101897 0.038951 LBFGSLineSearch: 2 17:21:29 -81.102039 0.043468 LBFGSLineSearch: 3 17:21:29 -81.102127 0.019081 LBFGSLineSearch: 4 17:21:29 -81.102186 0.023874 LBFGSLineSearch: 5 17:21:29 -81.102245 0.011798 LBFGSLineSearch: 6 17:21:30 -81.102268 0.007813 LBFGSLineSearch: 7 17:21:30 -81.102275 0.011687 LBFGSLineSearch: 8 17:21:30 -81.102280 0.003797 LBFGSLineSearch: 9 17:21:30 -81.102282 0.006773 LBFGSLineSearch: 10 17:21:30 -81.102283 0.002942 LBFGSLineSearch: 11 17:21:31 -81.102287 0.001258 LBFGSLineSearch: 12 17:21:31 -81.102288 0.000713 LBFGSLineSearch: 13 17:21:31 -81.102288 0.000008 Minimization converged after 13 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:35 -81.483545 0.031773 LBFGSLineSearch: 1 17:21:35 -81.483575 0.039609 LBFGSLineSearch: 2 17:21:36 -81.483717 0.043969 LBFGSLineSearch: 3 17:21:36 -81.483807 0.019415 LBFGSLineSearch: 4 17:21:36 -81.483868 0.024112 LBFGSLineSearch: 5 17:21:36 -81.483928 0.012325 LBFGSLineSearch: 6 17:21:37 -81.483952 0.007664 LBFGSLineSearch: 7 17:21:37 -81.483959 0.009948 LBFGSLineSearch: 8 17:21:37 -81.483963 0.006290 LBFGSLineSearch: 9 17:21:37 -81.483965 0.004191 LBFGSLineSearch: 10 17:21:37 -81.483967 0.006727 LBFGSLineSearch: 11 17:21:37 -81.483968 0.002893 LBFGSLineSearch: 12 17:21:38 -81.483972 0.001004 LBFGSLineSearch: 13 17:21:38 -81.483972 0.001117 LBFGSLineSearch: 14 17:21:38 -81.483972 0.000368 LBFGSLineSearch: 15 17:21:38 -81.483972 0.000009 Minimization converged after 15 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:42 -81.866086 0.031844 LBFGSLineSearch: 1 17:21:42 -81.866116 0.040273 LBFGSLineSearch: 2 17:21:42 -81.866257 0.044499 LBFGSLineSearch: 3 17:21:43 -81.866349 0.019753 LBFGSLineSearch: 4 17:21:43 -81.866413 0.024362 LBFGSLineSearch: 5 17:21:43 -81.866473 0.012870 LBFGSLineSearch: 6 17:21:43 -81.866499 0.007536 LBFGSLineSearch: 7 17:21:43 -81.866506 0.008510 LBFGSLineSearch: 8 17:21:43 -81.866510 0.005563 LBFGSLineSearch: 9 17:21:44 -81.866512 0.004056 LBFGSLineSearch: 10 17:21:44 -81.866514 0.005307 LBFGSLineSearch: 11 17:21:44 -81.866515 0.004793 LBFGSLineSearch: 12 17:21:44 -81.866516 0.002591 LBFGSLineSearch: 13 17:21:45 -81.866518 0.002704 LBFGSLineSearch: 14 17:21:45 -81.866519 0.001530 LBFGSLineSearch: 15 17:21:45 -81.866519 0.000561 LBFGSLineSearch: 16 17:21:45 -81.866519 0.000865 LBFGSLineSearch: 17 17:21:46 -81.866519 0.000019 LBFGSLineSearch: 18 17:21:46 -81.866519 0.000000 Minimization converged after 18 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:50 -82.249502 0.031915 LBFGSLineSearch: 1 17:21:50 -82.249532 0.041055 LBFGSLineSearch: 2 17:21:51 -82.249674 0.044891 LBFGSLineSearch: 3 17:21:51 -82.249767 0.020089 LBFGSLineSearch: 4 17:21:51 -82.249833 0.024615 LBFGSLineSearch: 5 17:21:51 -82.249893 0.013426 LBFGSLineSearch: 6 17:21:51 -82.249921 0.007397 LBFGSLineSearch: 7 17:21:51 -82.249928 0.007453 LBFGSLineSearch: 8 17:21:51 -82.249932 0.005115 LBFGSLineSearch: 9 17:21:51 -82.249935 0.003959 LBFGSLineSearch: 10 17:21:51 -82.249936 0.005037 LBFGSLineSearch: 11 17:21:51 -82.249937 0.004593 LBFGSLineSearch: 12 17:21:52 -82.249938 0.002535 LBFGSLineSearch: 13 17:21:52 -82.249941 0.002440 LBFGSLineSearch: 14 17:21:52 -82.249941 0.001428 LBFGSLineSearch: 15 17:21:52 -82.249942 0.000604 LBFGSLineSearch: 16 17:21:52 -82.249942 0.000802 LBFGSLineSearch: 17 17:21:53 -82.249942 0.000023 LBFGSLineSearch: 18 17:21:53 -82.249942 0.000000 Minimization converged after 18 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:57 -82.633807 0.031989 LBFGSLineSearch: 1 17:21:57 -82.633836 0.041779 LBFGSLineSearch: 2 17:21:57 -82.633978 0.045367 LBFGSLineSearch: 3 17:21:57 -82.634073 0.020437 LBFGSLineSearch: 4 17:21:57 -82.634141 0.024866 LBFGSLineSearch: 5 17:21:58 -82.634202 0.013983 LBFGSLineSearch: 6 17:21:58 -82.634232 0.007274 LBFGSLineSearch: 7 17:21:58 -82.634240 0.006697 LBFGSLineSearch: 8 17:21:58 -82.634244 0.004804 LBFGSLineSearch: 9 17:21:58 -82.634246 0.003839 LBFGSLineSearch: 10 17:21:58 -82.634248 0.005447 LBFGSLineSearch: 11 17:21:58 -82.634250 0.002384 LBFGSLineSearch: 12 17:21:58 -82.634253 0.001117 LBFGSLineSearch: 13 17:21:58 -82.634253 0.001852 LBFGSLineSearch: 14 17:21:58 -82.634253 0.000738 LBFGSLineSearch: 15 17:21:58 -82.634253 0.000003 Minimization converged after 15 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:03 -83.019014 0.032064 LBFGSLineSearch: 1 17:22:03 -83.019044 0.042498 LBFGSLineSearch: 2 17:22:03 -83.019185 0.045860 LBFGSLineSearch: 3 17:22:03 -83.019282 0.020790 LBFGSLineSearch: 4 17:22:03 -83.019352 0.025111 LBFGSLineSearch: 5 17:22:04 -83.019414 0.014536 LBFGSLineSearch: 6 17:22:04 -83.019447 0.007180 LBFGSLineSearch: 7 17:22:04 -83.019454 0.006234 LBFGSLineSearch: 8 17:22:04 -83.019459 0.004053 LBFGSLineSearch: 9 17:22:04 -83.019462 0.006015 LBFGSLineSearch: 10 17:22:04 -83.019463 0.003386 LBFGSLineSearch: 11 17:22:04 -83.019467 0.001777 LBFGSLineSearch: 12 17:22:04 -83.019468 0.003445 LBFGSLineSearch: 13 17:22:04 -83.019468 0.001394 LBFGSLineSearch: 14 17:22:04 -83.019468 0.000001 Minimization converged after 14 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:08 -83.405138 0.032139 LBFGSLineSearch: 1 17:22:09 -83.405168 0.043263 LBFGSLineSearch: 2 17:22:09 -83.405309 0.046326 LBFGSLineSearch: 3 17:22:10 -83.405408 0.021150 LBFGSLineSearch: 4 17:22:10 -83.405480 0.025358 LBFGSLineSearch: 5 17:22:10 -83.405543 0.015088 LBFGSLineSearch: 6 17:22:10 -83.405578 0.007128 LBFGSLineSearch: 7 17:22:10 -83.405584 0.005798 LBFGSLineSearch: 8 17:22:11 -83.405590 0.004011 LBFGSLineSearch: 9 17:22:11 -83.405594 0.007056 LBFGSLineSearch: 10 17:22:11 -83.405595 0.006414 LBFGSLineSearch: 11 17:22:11 -83.405598 0.002733 LBFGSLineSearch: 12 17:22:11 -83.405599 0.001080 LBFGSLineSearch: 13 17:22:12 -83.405599 0.001400 LBFGSLineSearch: 14 17:22:12 -83.405599 0.000549 LBFGSLineSearch: 15 17:22:12 -83.405599 0.000000 Minimization converged after 15 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:17 -83.792194 0.032216 LBFGSLineSearch: 1 17:22:17 -83.792224 0.044030 LBFGSLineSearch: 2 17:22:17 -83.792365 0.046800 LBFGSLineSearch: 3 17:22:17 -83.792466 0.021515 LBFGSLineSearch: 4 17:22:17 -83.792540 0.025602 LBFGSLineSearch: 5 17:22:17 -83.792603 0.015627 LBFGSLineSearch: 6 17:22:17 -83.792641 0.007122 LBFGSLineSearch: 7 17:22:18 -83.792647 0.005275 LBFGSLineSearch: 8 17:22:18 -83.792653 0.004177 LBFGSLineSearch: 9 17:22:18 -83.792658 0.007518 LBFGSLineSearch: 10 17:22:18 -83.792658 0.005930 LBFGSLineSearch: 11 17:22:18 -83.792661 0.002857 LBFGSLineSearch: 12 17:22:18 -83.792662 0.001118 LBFGSLineSearch: 13 17:22:18 -83.792663 0.001290 LBFGSLineSearch: 14 17:22:18 -83.792663 0.000446 LBFGSLineSearch: 15 17:22:19 -83.792663 0.000000 Minimization converged after 15 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:23 -84.180197 0.032295 LBFGSLineSearch: 1 17:22:23 -84.180227 0.044807 LBFGSLineSearch: 2 17:22:23 -84.180367 0.047281 LBFGSLineSearch: 3 17:22:23 -84.180471 0.021886 LBFGSLineSearch: 4 17:22:23 -84.180547 0.025843 LBFGSLineSearch: 5 17:22:24 -84.180611 0.016150 LBFGSLineSearch: 6 17:22:24 -84.180651 0.007171 LBFGSLineSearch: 7 17:22:24 -84.180657 0.005635 LBFGSLineSearch: 8 17:22:24 -84.180664 0.004316 LBFGSLineSearch: 9 17:22:24 -84.180668 0.007834 LBFGSLineSearch: 10 17:22:24 -84.180669 0.005187 LBFGSLineSearch: 11 17:22:24 -84.180673 0.001506 LBFGSLineSearch: 12 17:22:25 -84.180674 0.001465 LBFGSLineSearch: 13 17:22:25 -84.180674 0.000253 LBFGSLineSearch: 14 17:22:25 -84.180674 0.000001 Minimization converged after 14 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:29 -84.569163 0.032374 LBFGSLineSearch: 1 17:22:29 -84.569193 0.045595 LBFGSLineSearch: 2 17:22:29 -84.569333 0.047768 LBFGSLineSearch: 3 17:22:30 -84.569439 0.022265 LBFGSLineSearch: 4 17:22:30 -84.569516 0.026078 LBFGSLineSearch: 5 17:22:30 -84.569581 0.016649 LBFGSLineSearch: 6 17:22:30 -84.569625 0.007283 LBFGSLineSearch: 7 17:22:31 -84.569630 0.005844 LBFGSLineSearch: 8 17:22:31 -84.569638 0.004442 LBFGSLineSearch: 9 17:22:31 -84.569642 0.008221 LBFGSLineSearch: 10 17:22:31 -84.569643 0.004528 LBFGSLineSearch: 11 17:22:31 -84.569647 0.001883 LBFGSLineSearch: 12 17:22:31 -84.569647 0.002739 LBFGSLineSearch: 13 17:22:32 -84.569648 0.001178 LBFGSLineSearch: 14 17:22:32 -84.569648 0.000001 Minimization converged after 14 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:36 -84.959109 0.032455 LBFGSLineSearch: 1 17:22:37 -84.959138 0.046395 LBFGSLineSearch: 2 17:22:37 -84.959314 0.035315 LBFGSLineSearch: 3 17:22:37 -84.959386 0.022968 LBFGSLineSearch: 4 17:22:38 -84.959467 0.021036 LBFGSLineSearch: 5 17:22:38 -84.959531 0.017335 LBFGSLineSearch: 6 17:22:38 -84.959579 0.006293 LBFGSLineSearch: 7 17:22:38 -84.959586 0.008662 LBFGSLineSearch: 8 17:22:39 -84.959591 0.003970 LBFGSLineSearch: 9 17:22:39 -84.959596 0.003562 LBFGSLineSearch: 10 17:22:39 -84.959597 0.003500 LBFGSLineSearch: 11 17:22:39 -84.959598 0.003002 LBFGSLineSearch: 12 17:22:39 -84.959601 0.001345 LBFGSLineSearch: 13 17:22:40 -84.959601 0.001069 LBFGSLineSearch: 14 17:22:40 -84.959601 0.000814 LBFGSLineSearch: 15 17:22:40 -84.959602 0.000000 Minimization converged after 15 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:44 -85.350051 0.032538 LBFGSLineSearch: 1 17:22:45 -85.350080 0.047227 LBFGSLineSearch: 2 17:22:45 -85.350257 0.035555 LBFGSLineSearch: 3 17:22:46 -85.350330 0.023370 LBFGSLineSearch: 4 17:22:46 -85.350413 0.021214 LBFGSLineSearch: 5 17:22:47 -85.350477 0.017927 LBFGSLineSearch: 6 17:22:47 -85.350529 0.006239 LBFGSLineSearch: 7 17:22:47 -85.350537 0.009099 LBFGSLineSearch: 8 17:22:48 -85.350542 0.004066 LBFGSLineSearch: 9 17:22:48 -85.350546 0.003413 LBFGSLineSearch: 10 17:22:48 -85.350547 0.003526 LBFGSLineSearch: 11 17:22:49 -85.350551 0.001547 LBFGSLineSearch: 12 17:22:49 -85.350552 0.000529 LBFGSLineSearch: 13 17:22:49 -85.350552 0.000030 LBFGSLineSearch: 14 17:22:49 -85.350552 0.000000 Minimization converged after 14 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:54 -85.742007 0.032621 LBFGSLineSearch: 1 17:22:54 -85.742036 0.048062 LBFGSLineSearch: 2 17:22:54 -85.742214 0.035789 LBFGSLineSearch: 3 17:22:55 -85.742288 0.023781 LBFGSLineSearch: 4 17:22:55 -85.742374 0.021378 LBFGSLineSearch: 5 17:22:55 -85.742438 0.018519 LBFGSLineSearch: 6 17:22:55 -85.742494 0.006190 LBFGSLineSearch: 7 17:22:56 -85.742502 0.009543 LBFGSLineSearch: 8 17:22:56 -85.742507 0.004156 LBFGSLineSearch: 9 17:22:56 -85.742512 0.003287 LBFGSLineSearch: 10 17:22:56 -85.742513 0.003631 LBFGSLineSearch: 11 17:22:57 -85.742517 0.001567 LBFGSLineSearch: 12 17:22:57 -85.742517 0.000857 LBFGSLineSearch: 13 17:22:57 -85.742518 0.000161 LBFGSLineSearch: 14 17:22:57 -85.742518 0.000029 LBFGSLineSearch: 15 17:22:58 -85.742518 0.000000 Minimization converged after 15 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:02 -86.134996 0.032707 LBFGSLineSearch: 1 17:23:03 -86.135026 0.048915 LBFGSLineSearch: 2 17:23:03 -86.135203 0.036022 LBFGSLineSearch: 3 17:23:03 -86.135280 0.024198 LBFGSLineSearch: 4 17:23:03 -86.135368 0.021538 LBFGSLineSearch: 5 17:23:03 -86.135433 0.019100 LBFGSLineSearch: 6 17:23:04 -86.135492 0.006141 LBFGSLineSearch: 7 17:23:04 -86.135500 0.010007 LBFGSLineSearch: 8 17:23:04 -86.135506 0.004240 LBFGSLineSearch: 9 17:23:04 -86.135510 0.003198 LBFGSLineSearch: 10 17:23:05 -86.135511 0.003771 LBFGSLineSearch: 11 17:23:05 -86.135514 0.002302 LBFGSLineSearch: 12 17:23:05 -86.135515 0.001382 LBFGSLineSearch: 13 17:23:06 -86.135516 0.000901 LBFGSLineSearch: 14 17:23:06 -86.135516 0.000389 LBFGSLineSearch: 15 17:23:06 -86.135516 0.000000 Minimization converged after 15 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:11 -86.529038 0.032793 LBFGSLineSearch: 1 17:23:11 -86.529067 0.049786 LBFGSLineSearch: 2 17:23:11 -86.529245 0.036247 LBFGSLineSearch: 3 17:23:12 -86.529323 0.024628 LBFGSLineSearch: 4 17:23:12 -86.529414 0.021689 LBFGSLineSearch: 5 17:23:13 -86.529479 0.019667 LBFGSLineSearch: 6 17:23:13 -86.529543 0.006123 LBFGSLineSearch: 7 17:23:14 -86.529551 0.010461 LBFGSLineSearch: 8 17:23:14 -86.529557 0.004307 LBFGSLineSearch: 9 17:23:14 -86.529562 0.003158 LBFGSLineSearch: 10 17:23:14 -86.529562 0.003876 LBFGSLineSearch: 11 17:23:15 -86.529566 0.002175 LBFGSLineSearch: 12 17:23:15 -86.529566 0.001416 LBFGSLineSearch: 13 17:23:15 -86.529567 0.001050 LBFGSLineSearch: 14 17:23:15 -86.529567 0.000001 Minimization converged after 14 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:20 -86.924151 0.032882 LBFGSLineSearch: 1 17:23:20 -86.924180 0.050665 LBFGSLineSearch: 2 17:23:21 -86.924359 0.036438 LBFGSLineSearch: 3 17:23:21 -86.924438 0.025084 LBFGSLineSearch: 4 17:23:21 -86.924531 0.021814 LBFGSLineSearch: 5 17:23:21 -86.924597 0.020214 LBFGSLineSearch: 6 17:23:21 -86.924666 0.006143 LBFGSLineSearch: 7 17:23:22 -86.924674 0.010936 LBFGSLineSearch: 8 17:23:22 -86.924680 0.004370 LBFGSLineSearch: 9 17:23:22 -86.924685 0.003147 LBFGSLineSearch: 10 17:23:22 -86.924686 0.003922 LBFGSLineSearch: 11 17:23:22 -86.924689 0.002102 LBFGSLineSearch: 12 17:23:22 -86.924690 0.001448 LBFGSLineSearch: 13 17:23:22 -86.924690 0.001145 LBFGSLineSearch: 14 17:23:22 -86.924691 0.000001 Minimization converged after 14 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:26 -87.320357 0.032972 LBFGSLineSearch: 1 17:23:27 -87.320386 0.051571 LBFGSLineSearch: 2 17:23:27 -87.320565 0.036583 LBFGSLineSearch: 3 17:23:28 -87.320646 0.025560 LBFGSLineSearch: 4 17:23:28 -87.320741 0.021905 LBFGSLineSearch: 5 17:23:29 -87.320807 0.020736 LBFGSLineSearch: 6 17:23:29 -87.320880 0.006185 LBFGSLineSearch: 7 17:23:29 -87.320889 0.011445 LBFGSLineSearch: 8 17:23:29 -87.320895 0.004435 LBFGSLineSearch: 9 17:23:29 -87.320900 0.003159 LBFGSLineSearch: 10 17:23:29 -87.320901 0.003908 LBFGSLineSearch: 11 17:23:29 -87.320904 0.002122 LBFGSLineSearch: 12 17:23:29 -87.320905 0.001482 LBFGSLineSearch: 13 17:23:30 -87.320906 0.001188 LBFGSLineSearch: 14 17:23:30 -87.320906 0.000001 Minimization converged after 14 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:34 -87.717674 0.033064 LBFGSLineSearch: 1 17:23:34 -87.717703 0.052492 LBFGSLineSearch: 2 17:23:34 -87.717882 0.036679 LBFGSLineSearch: 3 17:23:35 -87.717964 0.026052 LBFGSLineSearch: 4 17:23:35 -87.718061 0.021955 LBFGSLineSearch: 5 17:23:35 -87.718127 0.021231 LBFGSLineSearch: 6 17:23:35 -87.718206 0.006252 LBFGSLineSearch: 7 17:23:36 -87.718215 0.011953 LBFGSLineSearch: 8 17:23:36 -87.718222 0.004495 LBFGSLineSearch: 9 17:23:36 -87.718227 0.003190 LBFGSLineSearch: 10 17:23:37 -87.718228 0.003861 LBFGSLineSearch: 11 17:23:37 -87.718231 0.002228 LBFGSLineSearch: 12 17:23:37 -87.718232 0.001511 LBFGSLineSearch: 13 17:23:37 -87.718233 0.001201 LBFGSLineSearch: 14 17:23:38 -87.718233 0.000001 Minimization converged after 14 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:42 -88.116122 0.033157 LBFGSLineSearch: 1 17:23:42 -88.116151 0.053427 LBFGSLineSearch: 2 17:23:43 -88.116329 0.036739 LBFGSLineSearch: 3 17:23:43 -88.116413 0.026556 LBFGSLineSearch: 4 17:23:43 -88.116512 0.021975 LBFGSLineSearch: 5 17:23:43 -88.116578 0.021702 LBFGSLineSearch: 6 17:23:43 -88.116663 0.006346 LBFGSLineSearch: 7 17:23:43 -88.116672 0.012463 LBFGSLineSearch: 8 17:23:43 -88.116679 0.004554 LBFGSLineSearch: 9 17:23:43 -88.116684 0.003235 LBFGSLineSearch: 10 17:23:44 -88.116685 0.003836 LBFGSLineSearch: 11 17:23:44 -88.116689 0.002327 LBFGSLineSearch: 12 17:23:44 -88.116690 0.001536 LBFGSLineSearch: 13 17:23:44 -88.116690 0.001213 LBFGSLineSearch: 14 17:23:44 -88.116691 0.000002 Minimization converged after 14 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:49 -88.515720 0.033252 LBFGSLineSearch: 1 17:23:49 -88.515749 0.054383 LBFGSLineSearch: 2 17:23:49 -88.515927 0.037650 LBFGSLineSearch: 3 17:23:49 -88.516012 0.027067 LBFGSLineSearch: 4 17:23:50 -88.516113 0.021970 LBFGSLineSearch: 5 17:23:50 -88.516179 0.022141 LBFGSLineSearch: 6 17:23:50 -88.516270 0.006468 LBFGSLineSearch: 7 17:23:50 -88.516279 0.013016 LBFGSLineSearch: 8 17:23:51 -88.516287 0.004624 LBFGSLineSearch: 9 17:23:51 -88.516292 0.003294 LBFGSLineSearch: 10 17:23:51 -88.516293 0.003838 LBFGSLineSearch: 11 17:23:51 -88.516297 0.002408 LBFGSLineSearch: 12 17:23:51 -88.516298 0.001561 LBFGSLineSearch: 13 17:23:52 -88.516299 0.001228 LBFGSLineSearch: 14 17:23:52 -88.516299 0.000002 Minimization converged after 14 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:57 -88.916489 0.033349 LBFGSLineSearch: 1 17:23:57 -88.916518 0.055361 LBFGSLineSearch: 2 17:23:58 -88.916695 0.038561 LBFGSLineSearch: 3 17:23:58 -88.916781 0.027575 LBFGSLineSearch: 4 17:23:59 -88.916884 0.021942 LBFGSLineSearch: 5 17:23:59 -88.916950 0.022536 LBFGSLineSearch: 6 17:23:59 -88.917047 0.006630 LBFGSLineSearch: 7 17:23:59 -88.917056 0.013262 LBFGSLineSearch: 8 17:24:00 -88.917065 0.004700 LBFGSLineSearch: 9 17:24:00 -88.917071 0.003396 LBFGSLineSearch: 10 17:24:00 -88.917072 0.003825 LBFGSLineSearch: 11 17:24:00 -88.917076 0.001896 LBFGSLineSearch: 12 17:24:01 -88.917077 0.001267 LBFGSLineSearch: 13 17:24:01 -88.917078 0.000025 LBFGSLineSearch: 14 17:24:01 -88.917078 0.000000 Minimization converged after 14 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:06 -89.318448 0.033448 LBFGSLineSearch: 1 17:24:06 -89.318477 0.056380 LBFGSLineSearch: 2 17:24:07 -89.318653 0.039480 LBFGSLineSearch: 3 17:24:07 -89.318740 0.028071 LBFGSLineSearch: 4 17:24:07 -89.318845 0.021899 LBFGSLineSearch: 5 17:24:07 -89.318911 0.022862 LBFGSLineSearch: 6 17:24:08 -89.319014 0.006833 LBFGSLineSearch: 7 17:24:08 -89.319023 0.012264 LBFGSLineSearch: 8 17:24:08 -89.319033 0.004756 LBFGSLineSearch: 9 17:24:08 -89.319039 0.003498 LBFGSLineSearch: 10 17:24:08 -89.319040 0.003831 LBFGSLineSearch: 11 17:24:09 -89.319045 0.001920 LBFGSLineSearch: 12 17:24:09 -89.319047 0.001326 LBFGSLineSearch: 13 17:24:09 -89.319047 0.000095 LBFGSLineSearch: 14 17:24:09 -89.319047 0.000001 Minimization converged after 14 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:14 -89.721618 0.033548 LBFGSLineSearch: 1 17:24:14 -89.721646 0.057406 LBFGSLineSearch: 2 17:24:14 -89.721821 0.040380 LBFGSLineSearch: 3 17:24:14 -89.721909 0.028555 LBFGSLineSearch: 4 17:24:15 -89.722016 0.021831 LBFGSLineSearch: 5 17:24:15 -89.722082 0.023136 LBFGSLineSearch: 6 17:24:15 -89.722191 0.007059 LBFGSLineSearch: 7 17:24:15 -89.722199 0.010977 LBFGSLineSearch: 8 17:24:15 -89.722213 0.004826 LBFGSLineSearch: 9 17:24:16 -89.722219 0.003604 LBFGSLineSearch: 10 17:24:16 -89.722220 0.003749 LBFGSLineSearch: 11 17:24:16 -89.722221 0.003453 LBFGSLineSearch: 12 17:24:16 -89.722225 0.001677 LBFGSLineSearch: 13 17:24:16 -89.722226 0.000683 LBFGSLineSearch: 14 17:24:16 -89.722227 0.000006 Minimization converged after 14 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:21 -90.126019 0.033649 LBFGSLineSearch: 1 17:24:21 -90.126047 0.058450 LBFGSLineSearch: 2 17:24:21 -90.126220 0.041270 LBFGSLineSearch: 3 17:24:21 -90.126309 0.029021 LBFGSLineSearch: 4 17:24:22 -90.126417 0.021747 LBFGSLineSearch: 5 17:24:22 -90.126483 0.023343 LBFGSLineSearch: 6 17:24:23 -90.126599 0.007304 LBFGSLineSearch: 7 17:24:23 -90.126607 0.010059 LBFGSLineSearch: 8 17:24:23 -90.126623 0.004910 LBFGSLineSearch: 9 17:24:24 -90.126629 0.003744 LBFGSLineSearch: 10 17:24:24 -90.126630 0.003821 LBFGSLineSearch: 11 17:24:25 -90.126632 0.003398 LBFGSLineSearch: 12 17:24:25 -90.126636 0.001697 LBFGSLineSearch: 13 17:24:25 -90.126637 0.000724 LBFGSLineSearch: 14 17:24:25 -90.126637 0.000010 Minimization converged after 14 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:30 -90.531670 0.033752 LBFGSLineSearch: 1 17:24:30 -90.531699 0.059526 LBFGSLineSearch: 2 17:24:30 -90.531870 0.042147 LBFGSLineSearch: 3 17:24:31 -90.531961 0.029463 LBFGSLineSearch: 4 17:24:31 -90.532070 0.021658 LBFGSLineSearch: 5 17:24:31 -90.532135 0.023468 LBFGSLineSearch: 6 17:24:31 -90.532258 0.007565 LBFGSLineSearch: 7 17:24:31 -90.532265 0.008145 LBFGSLineSearch: 8 17:24:31 -90.532275 0.007731 LBFGSLineSearch: 9 17:24:31 -90.532286 0.004793 LBFGSLineSearch: 10 17:24:31 -90.532292 0.003967 LBFGSLineSearch: 11 17:24:32 -90.532293 0.003415 LBFGSLineSearch: 12 17:24:32 -90.532297 0.002247 LBFGSLineSearch: 13 17:24:32 -90.532299 0.001505 LBFGSLineSearch: 14 17:24:32 -90.532299 0.001226 LBFGSLineSearch: 15 17:24:32 -90.532300 0.000535 LBFGSLineSearch: 16 17:24:32 -90.532300 0.000000 Minimization converged after 16 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:37 -90.938595 0.033858 LBFGSLineSearch: 1 17:24:37 -90.938623 0.060669 LBFGSLineSearch: 2 17:24:38 -90.938793 0.043005 LBFGSLineSearch: 3 17:24:38 -90.938884 0.029855 LBFGSLineSearch: 4 17:24:38 -90.938995 0.021587 LBFGSLineSearch: 5 17:24:38 -90.939059 0.023482 LBFGSLineSearch: 6 17:24:38 -90.939189 0.007840 LBFGSLineSearch: 7 17:24:39 -90.939197 0.008267 LBFGSLineSearch: 8 17:24:39 -90.939207 0.007321 LBFGSLineSearch: 9 17:24:39 -90.939221 0.004961 LBFGSLineSearch: 10 17:24:39 -90.939226 0.004096 LBFGSLineSearch: 11 17:24:39 -90.939227 0.003733 LBFGSLineSearch: 12 17:24:39 -90.939230 0.003142 LBFGSLineSearch: 13 17:24:40 -90.939234 0.001514 LBFGSLineSearch: 14 17:24:40 -90.939235 0.000595 LBFGSLineSearch: 15 17:24:40 -90.939235 0.000003 Minimization converged after 15 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:45 -91.346814 0.033965 LBFGSLineSearch: 1 17:24:45 -91.346842 0.061789 LBFGSLineSearch: 2 17:24:45 -91.347010 0.043834 LBFGSLineSearch: 3 17:24:45 -91.347102 0.030233 LBFGSLineSearch: 4 17:24:45 -91.347213 0.021510 LBFGSLineSearch: 5 17:24:46 -91.347278 0.023468 LBFGSLineSearch: 6 17:24:46 -91.347415 0.008126 LBFGSLineSearch: 7 17:24:46 -91.347425 0.008381 LBFGSLineSearch: 8 17:24:46 -91.347436 0.006897 LBFGSLineSearch: 9 17:24:46 -91.347450 0.005136 LBFGSLineSearch: 10 17:24:47 -91.347456 0.004222 LBFGSLineSearch: 11 17:24:47 -91.347457 0.003771 LBFGSLineSearch: 12 17:24:47 -91.347460 0.003262 LBFGSLineSearch: 13 17:24:47 -91.347464 0.001521 LBFGSLineSearch: 14 17:24:47 -91.347465 0.000613 LBFGSLineSearch: 15 17:24:47 -91.347465 0.000004 Minimization converged after 15 steps. Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:52 -91.756351 0.034074 LBFGSLineSearch: 1 17:24:52 -91.756379 0.062968 LBFGSLineSearch: 2 17:24:53 -91.756546 0.044656 LBFGSLineSearch: 3 17:24:53 -91.756638 0.030568 LBFGSLineSearch: 4 17:24:53 -91.756751 0.021477 LBFGSLineSearch: 5 17:24:53 -91.756815 0.023369 LBFGSLineSearch: 6 17:24:53 -91.756959 0.008423 LBFGSLineSearch: 7 17:24:54 -91.756973 0.008485 LBFGSLineSearch: 8 17:24:54 -91.756984 0.006451 LBFGSLineSearch: 9 17:24:54 -91.757000 0.005306 LBFGSLineSearch: 10 17:24:54 -91.757005 0.004342 LBFGSLineSearch: 11 17:24:54 -91.757007 0.003798 LBFGSLineSearch: 12 17:24:54 -91.757009 0.003381 LBFGSLineSearch: 13 17:24:54 -91.757014 0.001522 LBFGSLineSearch: 14 17:24:54 -91.757015 0.000631 LBFGSLineSearch: 15 17:24:54 -91.757016 0.000005 Minimization converged after 15 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:58 -92.167234 0.034185 LBFGSLineSearch: 1 17:24:58 -92.167262 0.064187 LBFGSLineSearch: 2 17:24:59 -92.167427 0.045462 LBFGSLineSearch: 3 17:24:59 -92.167520 0.030864 LBFGSLineSearch: 4 17:24:59 -92.167633 0.021488 LBFGSLineSearch: 5 17:24:59 -92.167697 0.023204 LBFGSLineSearch: 6 17:25:00 -92.167850 0.008729 LBFGSLineSearch: 7 17:25:00 -92.167867 0.008574 LBFGSLineSearch: 8 17:25:00 -92.167880 0.006666 LBFGSLineSearch: 9 17:25:00 -92.167896 0.005459 LBFGSLineSearch: 10 17:25:00 -92.167902 0.004450 LBFGSLineSearch: 11 17:25:00 -92.167904 0.003811 LBFGSLineSearch: 12 17:25:00 -92.167906 0.003499 LBFGSLineSearch: 13 17:25:01 -92.167911 0.001519 LBFGSLineSearch: 14 17:25:01 -92.167912 0.000648 LBFGSLineSearch: 15 17:25:01 -92.167913 0.000006 Minimization converged after 15 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:06 -92.579493 0.034298 LBFGSLineSearch: 1 17:25:06 -92.579520 0.065450 LBFGSLineSearch: 2 17:25:07 -92.579684 0.046252 LBFGSLineSearch: 3 17:25:07 -92.579777 0.031120 LBFGSLineSearch: 4 17:25:08 -92.579892 0.021558 LBFGSLineSearch: 5 17:25:08 -92.579956 0.022977 LBFGSLineSearch: 6 17:25:08 -92.580116 0.009037 LBFGSLineSearch: 7 17:25:09 -92.580139 0.008648 LBFGSLineSearch: 8 17:25:09 -92.580153 0.006844 LBFGSLineSearch: 9 17:25:10 -92.580170 0.005581 LBFGSLineSearch: 10 17:25:10 -92.580176 0.004535 LBFGSLineSearch: 11 17:25:11 -92.580178 0.003805 LBFGSLineSearch: 12 17:25:11 -92.580181 0.003606 LBFGSLineSearch: 13 17:25:12 -92.580186 0.001538 LBFGSLineSearch: 14 17:25:13 -92.580187 0.000665 LBFGSLineSearch: 15 17:25:13 -92.580187 0.000007 Minimization converged after 15 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:19 -92.993162 0.034415 LBFGSLineSearch: 1 17:25:19 -92.993189 0.066761 LBFGSLineSearch: 2 17:25:19 -92.993351 0.047026 LBFGSLineSearch: 3 17:25:19 -92.993444 0.031332 LBFGSLineSearch: 4 17:25:19 -92.993561 0.021689 LBFGSLineSearch: 5 17:25:19 -92.993624 0.022694 LBFGSLineSearch: 6 17:25:19 -92.993793 0.009348 LBFGSLineSearch: 7 17:25:20 -92.993823 0.008701 LBFGSLineSearch: 8 17:25:20 -92.993838 0.006935 LBFGSLineSearch: 9 17:25:20 -92.993856 0.005664 LBFGSLineSearch: 10 17:25:20 -92.993862 0.004589 LBFGSLineSearch: 11 17:25:20 -92.993864 0.003776 LBFGSLineSearch: 12 17:25:20 -92.993867 0.003701 LBFGSLineSearch: 13 17:25:20 -92.993873 0.001677 LBFGSLineSearch: 14 17:25:20 -92.993874 0.000716 LBFGSLineSearch: 15 17:25:20 -92.993875 0.000008 Minimization converged after 15 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:25 -93.408281 0.034534 LBFGSLineSearch: 1 17:25:25 -93.408307 0.068127 LBFGSLineSearch: 2 17:25:25 -93.408467 0.047786 LBFGSLineSearch: 3 17:25:26 -93.408561 0.031500 LBFGSLineSearch: 4 17:25:26 -93.408679 0.021896 LBFGSLineSearch: 5 17:25:26 -93.408742 0.022360 LBFGSLineSearch: 6 17:25:26 -93.408922 0.009956 LBFGSLineSearch: 7 17:25:26 -93.408973 0.008678 LBFGSLineSearch: 8 17:25:26 -93.617676 3.451494 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 8 steps. Final forces: [[-3.41017624e+00 1.77432914e-28 5.49947120e-02] [ 3.41017624e+00 -1.77432914e-28 5.49947120e-02] [ 3.41017624e+00 0.00000000e+00 -5.49947120e-02] [-3.41017624e+00 0.00000000e+00 -5.49947120e-02] [-4.93416867e-02 4.43582285e-29 4.49847311e-02] [ 4.93416867e-02 -4.43582285e-29 4.49847311e-02] [ 4.93416867e-02 0.00000000e+00 -4.49847311e-02] [-4.93416867e-02 0.00000000e+00 -4.49847311e-02] [-3.37497425e+00 -1.77432914e-28 2.30917755e-01] [ 3.37497425e+00 1.77432914e-28 2.30917755e-01] [ 3.37497425e+00 0.00000000e+00 -2.30917755e-01] [-3.37497425e+00 0.00000000e+00 -2.30917755e-01]] Final stress: [-0.07849914 0.12630166 0.21972394 0. 0. 0. ] Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:30 -94.039645 3.486658 LBFGSLineSearch: 1 17:25:31 -94.812065 1.561151 LBFGSLineSearch: 2 17:25:31 -95.434239 1.037977 LBFGSLineSearch: 3 17:25:32 -95.639102 1.252824 LBFGSLineSearch: 4 17:25:32 -95.677531 1.243175 LBFGSLineSearch: 5 17:25:32 -95.958479 0.833272 LBFGSLineSearch: 6 17:25:33 -96.131144 0.526640 LBFGSLineSearch: 7 17:25:33 -96.141923 0.969861 LBFGSLineSearch: 8 17:25:33 -96.272363 0.683145 LBFGSLineSearch: 9 17:25:33 -96.305189 0.398395 LBFGSLineSearch: 10 17:25:34 -96.321484 0.273710 LBFGSLineSearch: 11 17:25:34 -96.329643 0.259156 LBFGSLineSearch: 12 17:25:34 -96.365568 2.043102 LBFGSLineSearch: 13 17:25:34 -96.366991 1.974448 LBFGSLineSearch: 14 17:25:34 -96.412855 0.907902 LBFGSLineSearch: 15 17:25:35 -96.457612 0.553198 LBFGSLineSearch: 16 17:25:35 -96.466326 0.444773 LBFGSLineSearch: 17 17:25:35 -96.475370 0.388132 LBFGSLineSearch: 18 17:25:35 -96.485743 0.408134 LBFGSLineSearch: 19 17:25:35 -96.501486 0.414659 LBFGSLineSearch: 20 17:25:35 -96.510374 0.581889 LBFGSLineSearch: 21 17:25:36 -96.514703 0.174380 LBFGSLineSearch: 22 17:25:36 -96.516921 0.113476 LBFGSLineSearch: 23 17:25:36 -96.517916 0.130173 LBFGSLineSearch: 24 17:25:36 -96.519394 0.154421 LBFGSLineSearch: 25 17:25:36 -96.520327 0.107507 LBFGSLineSearch: 26 17:25:36 -96.520772 0.024039 LBFGSLineSearch: 27 17:25:36 -96.520793 0.016999 LBFGSLineSearch: 28 17:25:36 -96.520813 0.021382 LBFGSLineSearch: 29 17:25:36 -96.520825 0.002829 LBFGSLineSearch: 30 17:25:36 -96.520826 0.001348 LBFGSLineSearch: 31 17:25:37 -96.520826 0.001247 LBFGSLineSearch: 32 17:25:37 -96.520826 0.000149 LBFGSLineSearch: 33 17:25:37 -96.520826 0.000043 LBFGSLineSearch: 34 17:25:37 -96.520826 0.000006 Minimization converged after 34 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:41 -96.966705 0.037159 LBFGSLineSearch: 1 17:25:42 -96.966746 0.049370 LBFGSLineSearch: 2 17:25:42 -96.966873 0.035654 LBFGSLineSearch: 3 17:25:42 -96.966906 0.020334 LBFGSLineSearch: 4 17:25:42 -96.966933 0.019283 LBFGSLineSearch: 5 17:25:42 -96.967015 0.010879 LBFGSLineSearch: 6 17:25:42 -96.967029 0.011919 LBFGSLineSearch: 7 17:25:42 -96.967043 0.011595 LBFGSLineSearch: 8 17:25:42 -96.967051 0.006224 LBFGSLineSearch: 9 17:25:43 -96.967054 0.001911 LBFGSLineSearch: 10 17:25:43 -96.967054 0.000990 LBFGSLineSearch: 11 17:25:43 -96.967054 0.000236 LBFGSLineSearch: 12 17:25:43 -96.967054 0.000056 LBFGSLineSearch: 13 17:25:43 -96.967054 0.000009 Minimization converged after 13 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:47 -97.413632 0.037218 LBFGSLineSearch: 1 17:25:47 -97.413673 0.049758 LBFGSLineSearch: 2 17:25:48 -97.413795 0.035418 LBFGSLineSearch: 3 17:25:48 -97.413827 0.021026 LBFGSLineSearch: 4 17:25:48 -97.413856 0.019389 LBFGSLineSearch: 5 17:25:48 -97.413939 0.011717 LBFGSLineSearch: 6 17:25:48 -97.413953 0.013117 LBFGSLineSearch: 7 17:25:49 -97.413971 0.012136 LBFGSLineSearch: 8 17:25:49 -97.413980 0.005737 LBFGSLineSearch: 9 17:25:49 -97.413982 0.001413 LBFGSLineSearch: 10 17:25:49 -97.413982 0.000784 LBFGSLineSearch: 11 17:25:49 -97.413982 0.000164 LBFGSLineSearch: 12 17:25:49 -97.413982 0.000041 LBFGSLineSearch: 13 17:25:50 -97.413982 0.000009 Minimization converged after 13 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:54 -97.861260 0.037275 LBFGSLineSearch: 1 17:25:55 -97.861301 0.050192 LBFGSLineSearch: 2 17:25:55 -97.861420 0.035219 LBFGSLineSearch: 3 17:25:55 -97.861450 0.021818 LBFGSLineSearch: 4 17:25:55 -97.861481 0.019502 LBFGSLineSearch: 5 17:25:55 -97.861566 0.012513 LBFGSLineSearch: 6 17:25:56 -97.861580 0.014217 LBFGSLineSearch: 7 17:25:56 -97.861601 0.011573 LBFGSLineSearch: 8 17:25:56 -97.861610 0.004782 LBFGSLineSearch: 9 17:25:56 -97.861611 0.000928 LBFGSLineSearch: 10 17:25:56 -97.861612 0.000691 LBFGSLineSearch: 11 17:25:56 -97.861612 0.000140 LBFGSLineSearch: 12 17:25:57 -97.861612 0.000078 LBFGSLineSearch: 13 17:25:57 -97.861612 0.000030 LBFGSLineSearch: 14 17:25:57 -97.861612 0.000012 LBFGSLineSearch: 15 17:25:57 -97.861612 0.000000 Minimization converged after 15 steps. Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:02 -98.309593 0.037332 LBFGSLineSearch: 1 17:26:02 -98.309634 0.050602 LBFGSLineSearch: 2 17:26:02 -98.309749 0.035036 LBFGSLineSearch: 3 17:26:03 -98.309778 0.023031 LBFGSLineSearch: 4 17:26:03 -98.309811 0.019612 LBFGSLineSearch: 5 17:26:03 -98.309897 0.013270 LBFGSLineSearch: 6 17:26:03 -98.309912 0.015234 LBFGSLineSearch: 7 17:26:03 -98.309937 0.010655 LBFGSLineSearch: 8 17:26:04 -98.309946 0.003485 LBFGSLineSearch: 9 17:26:04 -98.309947 0.000689 LBFGSLineSearch: 10 17:26:04 -98.309947 0.000676 LBFGSLineSearch: 11 17:26:04 -98.309947 0.000139 LBFGSLineSearch: 12 17:26:05 -98.309947 0.000112 LBFGSLineSearch: 13 17:26:05 -98.309947 0.000018 LBFGSLineSearch: 14 17:26:05 -98.309947 0.000015 LBFGSLineSearch: 15 17:26:05 -98.309947 0.000001 Minimization converged after 15 steps. Pressure: -39.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:10 -98.758635 0.037391 LBFGSLineSearch: 1 17:26:10 -98.758676 0.051017 LBFGSLineSearch: 2 17:26:11 -98.758787 0.034882 LBFGSLineSearch: 3 17:26:11 -98.758815 0.024295 LBFGSLineSearch: 4 17:26:11 -98.758850 0.019728 LBFGSLineSearch: 5 17:26:11 -98.758937 0.013996 LBFGSLineSearch: 6 17:26:12 -98.758952 0.016186 LBFGSLineSearch: 7 17:26:12 -98.758982 0.009532 LBFGSLineSearch: 8 17:26:12 -98.758990 0.002099 LBFGSLineSearch: 9 17:26:12 -98.758990 0.000483 LBFGSLineSearch: 10 17:26:12 -98.758990 0.000539 LBFGSLineSearch: 11 17:26:12 -98.758991 0.000147 LBFGSLineSearch: 12 17:26:13 -98.758991 0.000122 LBFGSLineSearch: 13 17:26:13 -98.758991 0.000025 LBFGSLineSearch: 14 17:26:13 -98.758991 0.000010 LBFGSLineSearch: 15 17:26:13 -98.758991 0.000001 Minimization converged after 15 steps. Pressure: -40.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:18 -99.208390 0.037450 LBFGSLineSearch: 1 17:26:18 -99.208430 0.051429 LBFGSLineSearch: 2 17:26:18 -99.208538 0.034750 LBFGSLineSearch: 3 17:26:19 -99.208566 0.025557 LBFGSLineSearch: 4 17:26:19 -99.208602 0.019849 LBFGSLineSearch: 5 17:26:19 -99.208690 0.014815 LBFGSLineSearch: 6 17:26:19 -99.208706 0.017084 LBFGSLineSearch: 7 17:26:19 -99.208739 0.008232 LBFGSLineSearch: 8 17:26:19 -99.208748 0.001130 LBFGSLineSearch: 9 17:26:20 -99.208748 0.000410 LBFGSLineSearch: 10 17:26:20 -99.208748 0.000319 LBFGSLineSearch: 11 17:26:20 -99.208748 0.000315 LBFGSLineSearch: 12 17:26:20 -99.208748 0.000173 LBFGSLineSearch: 13 17:26:20 -99.208748 0.000224 LBFGSLineSearch: 14 17:26:20 -99.208748 0.000084 LBFGSLineSearch: 15 17:26:21 -99.208748 0.000039 LBFGSLineSearch: 16 17:26:21 -99.208748 0.000004 Minimization converged after 16 steps. Pressure: -40.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:25 -99.658863 0.037513 LBFGSLineSearch: 1 17:26:25 -99.658903 0.051838 LBFGSLineSearch: 2 17:26:25 -99.659008 0.034637 LBFGSLineSearch: 3 17:26:26 -99.659035 0.026817 LBFGSLineSearch: 4 17:26:26 -99.659073 0.019972 LBFGSLineSearch: 5 17:26:26 -99.659162 0.015861 LBFGSLineSearch: 6 17:26:26 -99.659179 0.017970 LBFGSLineSearch: 7 17:26:26 -99.659215 0.006811 LBFGSLineSearch: 8 17:26:27 -99.659224 0.000812 LBFGSLineSearch: 9 17:26:27 -99.659224 0.000646 LBFGSLineSearch: 10 17:26:27 -99.659224 0.000269 LBFGSLineSearch: 11 17:26:27 -99.659224 0.000193 LBFGSLineSearch: 12 17:26:27 -99.659224 0.000134 LBFGSLineSearch: 13 17:26:28 -99.659224 0.000022 LBFGSLineSearch: 14 17:26:28 -99.659224 0.000007 Minimization converged after 14 steps. Pressure: -41.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:33 -100.110062 0.037577 LBFGSLineSearch: 1 17:26:33 -100.110102 0.052261 LBFGSLineSearch: 2 17:26:34 -100.110204 0.034610 LBFGSLineSearch: 3 17:26:34 -100.110230 0.028117 LBFGSLineSearch: 4 17:26:34 -100.110271 0.020464 LBFGSLineSearch: 5 17:26:35 -100.110362 0.017076 LBFGSLineSearch: 6 17:26:35 -100.110381 0.019157 LBFGSLineSearch: 7 17:26:35 -100.110422 0.007222 LBFGSLineSearch: 8 17:26:35 -100.110431 0.001094 LBFGSLineSearch: 9 17:26:36 -100.110431 0.000908 LBFGSLineSearch: 10 17:26:36 -100.110431 0.000305 LBFGSLineSearch: 11 17:26:36 -100.110431 0.000285 LBFGSLineSearch: 12 17:26:36 -100.110431 0.000356 LBFGSLineSearch: 13 17:26:36 -100.110431 0.000006 Minimization converged after 13 steps. Pressure: -41.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:41 -100.562013 0.037633 LBFGSLineSearch: 1 17:26:41 -100.562053 0.052671 LBFGSLineSearch: 2 17:26:41 -100.562153 0.034753 LBFGSLineSearch: 3 17:26:41 -100.562186 0.026259 LBFGSLineSearch: 4 17:26:41 -100.562270 0.032744 LBFGSLineSearch: 5 17:26:41 -100.562325 0.030720 LBFGSLineSearch: 6 17:26:41 -100.562347 0.023588 LBFGSLineSearch: 7 17:26:42 -100.562397 0.016528 LBFGSLineSearch: 8 17:26:42 -100.562401 0.001845 LBFGSLineSearch: 9 17:26:42 -100.562401 0.003364 LBFGSLineSearch: 10 17:26:42 -100.562402 0.000382 LBFGSLineSearch: 11 17:26:43 -100.562402 0.000447 LBFGSLineSearch: 12 17:26:43 -100.562402 0.000154 LBFGSLineSearch: 13 17:26:43 -100.562402 0.000020 LBFGSLineSearch: 14 17:26:43 -100.562402 0.000015 LBFGSLineSearch: 15 17:26:43 -100.562402 0.000000 Minimization converged after 15 steps. Pressure: -42.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:48 -101.014770 0.037697 LBFGSLineSearch: 1 17:26:48 -101.014810 0.053115 LBFGSLineSearch: 2 17:26:49 -101.014909 0.034647 LBFGSLineSearch: 3 17:26:50 -101.014942 0.027264 LBFGSLineSearch: 4 17:26:50 -101.015035 0.031118 LBFGSLineSearch: 5 17:26:51 -101.015097 0.033573 LBFGSLineSearch: 6 17:26:51 -101.015125 0.025163 LBFGSLineSearch: 7 17:26:51 -101.015190 0.016410 LBFGSLineSearch: 8 17:26:51 -101.015195 0.002194 LBFGSLineSearch: 9 17:26:51 -101.015195 0.004447 LBFGSLineSearch: 10 17:26:51 -101.015196 0.000492 LBFGSLineSearch: 11 17:26:52 -101.015196 0.000541 LBFGSLineSearch: 12 17:26:52 -101.015196 0.000055 LBFGSLineSearch: 13 17:26:52 -101.015196 0.000096 LBFGSLineSearch: 14 17:26:52 -101.015196 0.000002 Minimization converged after 14 steps. Pressure: -42.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:57 -101.468436 0.037771 LBFGSLineSearch: 1 17:26:57 -101.468475 0.053604 LBFGSLineSearch: 2 17:26:58 -101.468574 0.035427 LBFGSLineSearch: 3 17:26:58 -101.468609 0.028786 LBFGSLineSearch: 4 17:26:58 -101.468715 0.033463 LBFGSLineSearch: 5 17:26:59 -101.468792 0.038656 LBFGSLineSearch: 6 17:26:59 -101.468832 0.030832 LBFGSLineSearch: 7 17:26:59 -101.468931 0.020099 LBFGSLineSearch: 8 17:26:59 -101.468940 0.003302 LBFGSLineSearch: 9 17:27:00 -101.468941 0.006671 LBFGSLineSearch: 10 17:27:00 -101.468943 0.000704 LBFGSLineSearch: 11 17:27:00 -101.468943 0.000680 LBFGSLineSearch: 12 17:27:01 -101.468943 0.000469 LBFGSLineSearch: 13 17:27:01 -101.468943 0.000111 LBFGSLineSearch: 14 17:27:01 -101.468943 0.000085 LBFGSLineSearch: 15 17:27:02 -101.468943 0.000031 LBFGSLineSearch: 16 17:27:02 -101.468943 0.000001 Minimization converged after 16 steps. Pressure: -43.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:07 -101.923248 0.037859 LBFGSLineSearch: 1 17:27:08 -101.923288 0.054127 LBFGSLineSearch: 2 17:27:09 -101.923393 0.043039 LBFGSLineSearch: 3 17:27:09 -101.923438 0.038837 LBFGSLineSearch: 4 17:27:10 -101.923487 0.026759 LBFGSLineSearch: 5 17:27:10 -101.923628 0.034110 LBFGSLineSearch: 6 17:27:11 -101.978187 0.411129 LBFGSLineSearch: 7 17:27:11 -101.978199 0.405646 LBFGSLineSearch: 8 17:27:12 -101.982453 0.194535 LBFGSLineSearch: 9 17:27:12 -101.986431 0.132332 LBFGSLineSearch: 10 17:27:13 -101.987871 0.131596 LBFGSLineSearch: 11 17:27:14 -101.988395 0.115951 LBFGSLineSearch: 12 17:27:14 -101.992683 0.073873 LBFGSLineSearch: 13 17:27:15 -101.992925 0.039930 LBFGSLineSearch: 14 17:27:15 -101.993122 0.119935 LBFGSLineSearch: 15 17:27:16 -101.993938 0.055115 LBFGSLineSearch: 16 17:27:16 -101.994245 0.026190 LBFGSLineSearch: 17 17:27:17 -101.994465 0.033860 LBFGSLineSearch: 18 17:27:17 -101.995047 0.039693 LBFGSLineSearch: 19 17:27:17 -101.995145 0.009451 LBFGSLineSearch: 20 17:27:18 -101.995151 0.003329 LBFGSLineSearch: 21 17:27:18 -101.995154 0.004579 LBFGSLineSearch: 22 17:27:19 -101.995158 0.001890 LBFGSLineSearch: 23 17:27:20 -101.995158 0.000208 LBFGSLineSearch: 24 17:27:20 -101.995158 0.000019 LBFGSLineSearch: 25 17:27:21 -101.995158 0.000003 Minimization converged after 25 steps. Pressure: -43.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:26 -102.464611 0.039121 LBFGSLineSearch: 1 17:27:26 -102.464687 0.045635 LBFGSLineSearch: 2 17:27:26 -102.464730 0.017061 LBFGSLineSearch: 3 17:27:26 -102.464739 0.025714 LBFGSLineSearch: 4 17:27:26 -102.464808 0.026583 LBFGSLineSearch: 5 17:27:27 -102.464850 0.009702 LBFGSLineSearch: 6 17:27:27 -102.464915 0.009058 LBFGSLineSearch: 7 17:27:27 -102.464934 0.013207 LBFGSLineSearch: 8 17:27:27 -102.465058 0.008468 LBFGSLineSearch: 9 17:27:27 -102.465075 0.012567 LBFGSLineSearch: 10 17:27:27 -102.465106 0.015044 LBFGSLineSearch: 11 17:27:27 -102.465112 0.003956 LBFGSLineSearch: 12 17:27:27 -102.465112 0.001141 LBFGSLineSearch: 13 17:27:27 -102.465113 0.001592 LBFGSLineSearch: 14 17:27:27 -102.465113 0.000555 LBFGSLineSearch: 15 17:27:27 -102.465113 0.000297 LBFGSLineSearch: 16 17:27:27 -102.465113 0.000317 LBFGSLineSearch: 17 17:27:27 -102.465113 0.000248 LBFGSLineSearch: 18 17:27:27 -102.465113 0.000066 LBFGSLineSearch: 19 17:27:27 -102.465113 0.000004 Minimization converged after 19 steps. Pressure: -44.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:33 -102.935574 0.039206 LBFGSLineSearch: 1 17:27:34 -102.935649 0.045543 LBFGSLineSearch: 2 17:27:34 -102.935689 0.017530 LBFGSLineSearch: 3 17:27:34 -102.935698 0.026804 LBFGSLineSearch: 4 17:27:34 -102.935765 0.027367 LBFGSLineSearch: 5 17:27:34 -102.935812 0.010332 LBFGSLineSearch: 6 17:27:35 -102.935876 0.012168 LBFGSLineSearch: 7 17:27:35 -102.935899 0.018449 LBFGSLineSearch: 8 17:27:35 -102.935992 0.008522 LBFGSLineSearch: 9 17:27:35 -102.936019 0.008567 LBFGSLineSearch: 10 17:27:35 -102.936041 0.009174 LBFGSLineSearch: 11 17:27:35 -102.936067 0.006521 LBFGSLineSearch: 12 17:27:35 -102.936090 0.003950 LBFGSLineSearch: 13 17:27:35 -102.936090 0.000266 LBFGSLineSearch: 14 17:27:35 -102.936090 0.000218 LBFGSLineSearch: 15 17:27:35 -102.936090 0.000440 LBFGSLineSearch: 16 17:27:35 -102.936090 0.000117 LBFGSLineSearch: 17 17:27:36 -102.936090 0.000000 Minimization converged after 17 steps. Pressure: -44.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:41 -103.407587 0.039291 LBFGSLineSearch: 1 17:27:41 -103.407659 0.045482 LBFGSLineSearch: 2 17:27:41 -103.407697 0.017955 LBFGSLineSearch: 3 17:27:41 -103.407706 0.027791 LBFGSLineSearch: 4 17:27:41 -103.407773 0.027855 LBFGSLineSearch: 5 17:27:42 -103.407823 0.010955 LBFGSLineSearch: 6 17:27:42 -103.407882 0.014637 LBFGSLineSearch: 7 17:27:42 -103.407912 0.029842 LBFGSLineSearch: 8 17:27:42 -103.408004 0.010923 LBFGSLineSearch: 9 17:27:43 -103.408049 0.012379 LBFGSLineSearch: 10 17:27:43 -103.408075 0.008163 LBFGSLineSearch: 11 17:27:43 -103.408085 0.007943 LBFGSLineSearch: 12 17:27:43 -103.408096 0.010101 LBFGSLineSearch: 13 17:27:43 -103.408116 0.000284 LBFGSLineSearch: 14 17:27:44 -103.408116 0.000195 LBFGSLineSearch: 15 17:27:44 -103.408116 0.000174 LBFGSLineSearch: 16 17:27:44 -103.408116 0.000004 Minimization converged after 16 steps. Pressure: -45.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:49 -103.880676 0.039380 LBFGSLineSearch: 1 17:27:50 -103.880746 0.045426 LBFGSLineSearch: 2 17:27:51 -103.880782 0.018341 LBFGSLineSearch: 3 17:27:51 -103.880794 0.016141 LBFGSLineSearch: 4 17:27:51 -103.880892 0.014816 LBFGSLineSearch: 5 17:27:51 -103.880910 0.011653 LBFGSLineSearch: 6 17:27:51 -103.880928 0.011082 LBFGSLineSearch: 7 17:27:51 -103.880977 0.012725 LBFGSLineSearch: 8 17:27:51 -103.881084 0.012469 LBFGSLineSearch: 9 17:27:52 -103.881120 0.028944 LBFGSLineSearch: 10 17:27:52 -103.881177 0.008872 LBFGSLineSearch: 11 17:27:52 -103.881212 0.011783 LBFGSLineSearch: 12 17:27:53 -103.881218 0.001920 LBFGSLineSearch: 13 17:27:53 -103.881218 0.000138 LBFGSLineSearch: 14 17:27:53 -103.881218 0.000119 LBFGSLineSearch: 15 17:27:53 -103.881218 0.000018 LBFGSLineSearch: 16 17:27:53 -103.881218 0.000002 Minimization converged after 16 steps. Pressure: -45.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:58 -104.354867 0.039472 LBFGSLineSearch: 1 17:27:58 -104.354935 0.045420 LBFGSLineSearch: 2 17:27:59 -104.354969 0.018692 LBFGSLineSearch: 3 17:27:59 -104.354981 0.016306 LBFGSLineSearch: 4 17:27:59 -104.355081 0.015132 LBFGSLineSearch: 5 17:27:59 -104.355098 0.012232 LBFGSLineSearch: 6 17:27:59 -104.355117 0.011645 LBFGSLineSearch: 7 17:27:59 -104.355161 0.012288 LBFGSLineSearch: 8 17:28:00 -104.355271 0.012877 LBFGSLineSearch: 9 17:28:00 -104.355308 0.030960 LBFGSLineSearch: 10 17:28:01 -104.355375 0.009386 LBFGSLineSearch: 11 17:28:01 -104.355415 0.013657 LBFGSLineSearch: 12 17:28:01 -104.355422 0.002457 LBFGSLineSearch: 13 17:28:02 -104.355422 0.000047 LBFGSLineSearch: 14 17:28:02 -104.355422 0.000070 LBFGSLineSearch: 15 17:28:03 -104.355422 0.000001 Minimization converged after 15 steps. Pressure: -46.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:08 -104.830184 0.039563 LBFGSLineSearch: 1 17:28:08 -104.830250 0.045402 LBFGSLineSearch: 2 17:28:08 -104.830282 0.019009 LBFGSLineSearch: 3 17:28:08 -104.830295 0.016513 LBFGSLineSearch: 4 17:28:09 -104.830395 0.015443 LBFGSLineSearch: 5 17:28:09 -104.830413 0.012784 LBFGSLineSearch: 6 17:28:09 -104.830432 0.012314 LBFGSLineSearch: 7 17:28:09 -104.830472 0.011899 LBFGSLineSearch: 8 17:28:09 -104.830587 0.012975 LBFGSLineSearch: 9 17:28:09 -104.830622 0.032862 LBFGSLineSearch: 10 17:28:10 -104.830698 0.009858 LBFGSLineSearch: 11 17:28:10 -104.830741 0.015213 LBFGSLineSearch: 12 17:28:11 -104.830750 0.002977 LBFGSLineSearch: 13 17:28:11 -104.830750 0.000079 LBFGSLineSearch: 14 17:28:11 -104.830750 0.000176 LBFGSLineSearch: 15 17:28:11 -104.830750 0.000047 LBFGSLineSearch: 16 17:28:11 -104.830750 0.000000 Minimization converged after 16 steps. Pressure: -46.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:15 -105.306647 0.039658 LBFGSLineSearch: 1 17:28:16 -105.306711 0.045382 LBFGSLineSearch: 2 17:28:16 -105.306741 0.019292 LBFGSLineSearch: 3 17:28:16 -105.306754 0.016753 LBFGSLineSearch: 4 17:28:17 -105.306855 0.015747 LBFGSLineSearch: 5 17:28:17 -105.306872 0.013297 LBFGSLineSearch: 6 17:28:17 -105.306893 0.012927 LBFGSLineSearch: 7 17:28:18 -105.306929 0.011751 LBFGSLineSearch: 8 17:28:18 -105.307049 0.012926 LBFGSLineSearch: 9 17:28:18 -105.307083 0.034716 LBFGSLineSearch: 10 17:28:18 -105.307166 0.010287 LBFGSLineSearch: 11 17:28:18 -105.307211 0.016445 LBFGSLineSearch: 12 17:28:18 -105.307221 0.003444 LBFGSLineSearch: 13 17:28:19 -105.307222 0.000211 LBFGSLineSearch: 14 17:28:19 -105.307222 0.000366 LBFGSLineSearch: 15 17:28:19 -105.307222 0.000085 LBFGSLineSearch: 16 17:28:20 -105.307222 0.000000 Minimization converged after 16 steps. Pressure: -47.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:24 -105.784271 0.039754 LBFGSLineSearch: 1 17:28:25 -105.784321 0.024392 LBFGSLineSearch: 2 17:28:25 -105.784357 0.031638 LBFGSLineSearch: 3 17:28:25 -105.784375 0.017423 LBFGSLineSearch: 4 17:28:26 -105.784411 0.033675 LBFGSLineSearch: 5 17:28:26 -105.784494 0.014996 LBFGSLineSearch: 6 17:28:26 -105.784529 0.009391 LBFGSLineSearch: 7 17:28:26 -105.784547 0.009746 LBFGSLineSearch: 8 17:28:27 -105.784574 0.017478 LBFGSLineSearch: 9 17:28:27 -105.784679 0.009602 LBFGSLineSearch: 10 17:28:27 -105.784700 0.012056 LBFGSLineSearch: 11 17:28:27 -105.784734 0.013589 LBFGSLineSearch: 12 17:28:27 -105.784807 0.010037 LBFGSLineSearch: 13 17:28:28 -105.784850 0.011334 LBFGSLineSearch: 14 17:28:28 -105.784853 0.001125 LBFGSLineSearch: 15 17:28:28 -105.784853 0.000336 LBFGSLineSearch: 16 17:28:28 -105.784853 0.000609 LBFGSLineSearch: 17 17:28:28 -105.784853 0.000003 Minimization converged after 17 steps. Pressure: -47.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:33 -106.263068 0.039851 LBFGSLineSearch: 1 17:28:33 -106.263117 0.025210 LBFGSLineSearch: 2 17:28:34 -106.263151 0.031214 LBFGSLineSearch: 3 17:28:34 -106.263169 0.017536 LBFGSLineSearch: 4 17:28:34 -106.263206 0.034381 LBFGSLineSearch: 5 17:28:34 -106.263284 0.015787 LBFGSLineSearch: 6 17:28:35 -106.263289 0.012672 LBFGSLineSearch: 7 17:28:35 -106.263311 0.024796 LBFGSLineSearch: 8 17:28:35 -106.263336 0.026033 LBFGSLineSearch: 9 17:28:36 -106.263387 0.041808 LBFGSLineSearch: 10 17:28:36 -106.263446 0.031403 LBFGSLineSearch: 11 17:28:36 -106.263487 0.024114 LBFGSLineSearch: 12 17:28:36 -106.263504 0.012247 LBFGSLineSearch: 13 17:28:36 -106.263573 0.011309 LBFGSLineSearch: 14 17:28:36 -106.263592 0.008728 LBFGSLineSearch: 15 17:28:37 -106.263604 0.011569 LBFGSLineSearch: 16 17:28:37 -106.263635 0.002293 LBFGSLineSearch: 17 17:28:37 -106.263636 0.002924 LBFGSLineSearch: 18 17:28:37 -106.263636 0.000734 LBFGSLineSearch: 19 17:28:37 -106.263636 0.000596 LBFGSLineSearch: 20 17:28:37 -106.263636 0.000376 LBFGSLineSearch: 21 17:28:38 -106.263636 0.000019 LBFGSLineSearch: 22 17:28:38 -106.263636 0.000000 Minimization converged after 22 steps. Pressure: -48.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:43 -106.742932 0.039941 LBFGSLineSearch: 1 17:28:43 -106.742977 0.030833 LBFGSLineSearch: 2 17:28:43 -106.743012 0.026787 LBFGSLineSearch: 3 17:28:43 -106.743034 0.031745 LBFGSLineSearch: 4 17:28:44 -106.743055 0.023011 LBFGSLineSearch: 5 17:28:44 -106.743062 0.018716 LBFGSLineSearch: 6 17:28:45 -106.743078 0.013188 LBFGSLineSearch: 7 17:28:45 -106.743093 0.017278 LBFGSLineSearch: 8 17:28:45 -106.743213 0.073421 LBFGSLineSearch: 9 17:28:45 -106.743315 0.025545 LBFGSLineSearch: 10 17:28:45 -106.745971 0.081987 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 10 steps. Final forces: [[ 6.37623448e-02 0.00000000e+00 -5.18861227e-02] [-6.37623448e-02 0.00000000e+00 -5.18861227e-02] [-6.37623448e-02 -2.42533896e-29 5.18861227e-02] [ 6.37623448e-02 2.42533896e-29 5.18861227e-02] [ 8.26706923e-03 -1.51583685e-30 -7.03166076e-03] [-8.26706923e-03 1.51583685e-30 -7.03166076e-03] [-8.26706923e-03 0.00000000e+00 7.03166076e-03] [ 8.26706923e-03 0.00000000e+00 7.03166076e-03] [ 1.13699332e-02 0.00000000e+00 -6.36201613e-02] [-1.13699332e-02 0.00000000e+00 -6.36201613e-02] [-1.13699332e-02 -1.94027117e-28 6.36201613e-02] [ 1.13699332e-02 1.94027117e-28 6.36201613e-02]] Final stress: [0.29329677 0.29851199 0.29728872 0. 0. 0. ] Pressure: -48.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:50 -107.229446 0.121568 LBFGSLineSearch: 1 17:28:50 -107.230761 0.211636 LBFGSLineSearch: 2 17:28:51 -107.232626 0.099397 LBFGSLineSearch: 3 17:28:51 -107.234672 0.223457 LBFGSLineSearch: 4 17:28:51 -107.240722 0.137407 LBFGSLineSearch: 5 17:28:51 -107.250478 0.280283 LBFGSLineSearch: 6 17:28:52 -107.401940 1.780853 LBFGSLineSearch: 7 17:28:52 -107.402485 2.152718 LBFGSLineSearch: 8 17:28:52 -107.849577 2.271428 LBFGSLineSearch: 9 17:28:52 -107.970725 3.465233 LBFGSLineSearch: 10 17:28:53 -109.284531 4.875279 LBFGSLineSearch: 11 17:28:53 -109.465461 5.072785 LBFGSLineSearch: 12 17:28:53 -110.144340 4.895363 LBFGSLineSearch: 13 17:28:54 -119.135152 5.382214 Failed to get energy or crystal structure at pressure -48.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')