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": "AB4_mP10_11_e_4e" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 6.610370602698889, "source-unit": "angstrom", "si-unit": "m", "si-value": 6.610370602698889e-10 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "x1", "z1", "x2", "z2", "x3", "z3", "x4", "z4", "x5", "z5" ] }, "parameter-values": { "source-value": [ 0.4126686358275275, 0.8923880875085941, 101.99513755322089, 0.2758449783802832, 0.8715537375511018, 0.8228340967620507, 0.8968784860516319, 0.5098847507889639, 0.1689128899257435, 0.9280925128924209, 0.314234773191028, 0.3205937039443101, 0.48954277463212126 ] }, "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_329801609112_000" ] ] }, "coordinates-file": { "source-value": "instance-1.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-1.poscar" }, "meta": { "uuid": "TE_196224119665_003-and-MO_856956178669_002-1753137569-tr", "path": "tr/TE_196224119665_003-and-MO_856956178669_002-1753137569-tr", "type": "tr", "_id": "TE_196224119665_003-and-MO_856956178669_002-1753137569-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "short-id": "TE_196224119665_003", "kimid-prefix": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe", "kimid-typecode": "te", "kimid-number": "196224119665", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe", "type": "te", "kimnum": "196224119665", "version": 3, "shortcode": "TE_196224119665", "kimcode": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "path": "te/EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "approved": true, "_id": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_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 AB4_mP10_11_e_4e 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 AB4_mP10_11_e_4e 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): 6.9852, b/a: 0.4089933, c/a: 0.87735498, beta: 102.649, x1: 0.73977627, z1: 0.13501917, x2: 0.19064933, z2: 0.12620311, x3: 0.47972681, z3: 0.8350018, x4: 0.081032821, z4: 0.67902396, x5: 0.66972022, z5: 0.5039733, obtained from OpenKIM Reference Data item RD_329801609112_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 22:28:00.006475" }, "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_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "model": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "domain": "openkim.org", "test-result-id": "TE_196224119665_003-and-MO_856956178669_002-1753137569-tr", "created_on": "2025-07-21 23:20:29.275620", "dependencies": [] }, "created_on": "2025-07-21 23:20:29.275620", "inserted_on": "2025-07-21 23:27:06.447684", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0003960287789677164 eV/angstrom. 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 23:51:18 -47.503382 0.032517 LBFGSLineSearch: 1 23:51:21 -47.503487 0.035442 LBFGSLineSearch: 2 23:51:22 -47.503525 0.021397 LBFGSLineSearch: 3 23:51:23 -47.503552 0.013905 LBFGSLineSearch: 4 23:51:25 -47.503595 0.021418 LBFGSLineSearch: 5 23:51:25 -47.503638 0.018591 LBFGSLineSearch: 6 23:51:26 -47.503675 0.010499 LBFGSLineSearch: 7 23:51:27 -47.503707 0.006801 LBFGSLineSearch: 8 23:51:28 -47.503714 0.006653 LBFGSLineSearch: 9 23:51:29 -47.503717 0.003387 LBFGSLineSearch: 10 23:51:29 -47.503719 0.001882 LBFGSLineSearch: 11 23:51:31 -47.503720 0.001250 LBFGSLineSearch: 12 23:51:31 -47.503720 0.001151 LBFGSLineSearch: 13 23:51:32 -47.503720 0.001068 LBFGSLineSearch: 14 23:51:32 -47.503721 0.000880 LBFGSLineSearch: 15 23:51:34 -47.503721 0.000662 LBFGSLineSearch: 16 23:51:35 -47.503721 0.000689 LBFGSLineSearch: 17 23:51:36 -47.503721 0.000635 LBFGSLineSearch: 18 23:51:37 -47.503721 0.000579 LBFGSLineSearch: 19 23:51:38 -47.503721 0.000488 LBFGSLineSearch: 20 23:51:39 -47.503722 0.000173 LBFGSLineSearch: 21 23:51:39 -47.503722 0.000144 LBFGSLineSearch: 22 23:51:39 -47.503722 0.000106 LBFGSLineSearch: 23 23:51:40 -47.503722 0.000091 LBFGSLineSearch: 24 23:51:40 -47.503722 0.000061 LBFGSLineSearch: 25 23:51:41 -47.503722 0.000003 Minimization converged after 25 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:51:56 -47.464039 0.003970 LBFGSLineSearch: 1 23:51:57 -47.464041 0.004407 LBFGSLineSearch: 2 23:51:59 -47.464041 0.002746 LBFGSLineSearch: 3 23:52:00 -47.464042 0.001702 LBFGSLineSearch: 4 23:52:04 -47.464042 0.002834 LBFGSLineSearch: 5 23:52:07 -47.464043 0.002338 LBFGSLineSearch: 6 23:52:10 -47.464044 0.001291 LBFGSLineSearch: 7 23:52:11 -47.464044 0.000720 LBFGSLineSearch: 8 23:52:12 -47.464044 0.000717 LBFGSLineSearch: 9 23:52:14 -47.464044 0.000296 LBFGSLineSearch: 10 23:52:15 -47.464044 0.000249 LBFGSLineSearch: 11 23:52:15 -47.464044 0.000151 LBFGSLineSearch: 12 23:52:16 -47.464044 0.000189 LBFGSLineSearch: 13 23:52:16 -47.464044 0.000181 LBFGSLineSearch: 14 23:52:18 -47.464044 0.000119 LBFGSLineSearch: 15 23:52:18 -47.464044 0.000095 LBFGSLineSearch: 16 23:52:18 -47.464044 0.000073 LBFGSLineSearch: 17 23:52:19 -47.464044 0.000074 LBFGSLineSearch: 18 23:52:19 -47.464044 0.000076 LBFGSLineSearch: 19 23:52:19 -47.464044 0.000066 LBFGSLineSearch: 20 23:52:20 -47.464044 0.000034 LBFGSLineSearch: 21 23:52:20 -47.464044 0.000016 LBFGSLineSearch: 22 23:52:22 -47.464044 0.000016 LBFGSLineSearch: 23 23:52:25 -47.464044 0.000008 Minimization converged after 23 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:52:41 -47.419514 0.004456 LBFGSLineSearch: 1 23:52:43 -47.419516 0.004947 LBFGSLineSearch: 2 23:52:44 -47.419516 0.003059 LBFGSLineSearch: 3 23:52:45 -47.419517 0.001908 LBFGSLineSearch: 4 23:52:46 -47.419518 0.003180 LBFGSLineSearch: 5 23:52:48 -47.419519 0.002546 LBFGSLineSearch: 6 23:52:49 -47.419519 0.001451 LBFGSLineSearch: 7 23:52:51 -47.419520 0.000803 LBFGSLineSearch: 8 23:52:52 -47.419520 0.000793 LBFGSLineSearch: 9 23:52:52 -47.419520 0.000326 LBFGSLineSearch: 10 23:52:54 -47.419520 0.000281 LBFGSLineSearch: 11 23:52:55 -47.419520 0.000170 LBFGSLineSearch: 12 23:52:58 -47.419520 0.000227 LBFGSLineSearch: 13 23:52:59 -47.419520 0.000168 LBFGSLineSearch: 14 23:52:59 -47.419520 0.000114 LBFGSLineSearch: 15 23:53:00 -47.419520 0.000110 LBFGSLineSearch: 16 23:53:02 -47.419520 0.000072 LBFGSLineSearch: 17 23:53:03 -47.419520 0.000096 LBFGSLineSearch: 18 23:53:04 -47.419520 0.000137 LBFGSLineSearch: 19 23:53:04 -47.419520 0.000059 LBFGSLineSearch: 20 23:53:05 -47.419520 0.000023 LBFGSLineSearch: 21 23:53:06 -47.419520 0.000017 LBFGSLineSearch: 22 23:53:06 -47.419520 0.000012 LBFGSLineSearch: 23 23:53:08 -47.419520 0.000011 LBFGSLineSearch: 24 23:53:09 -47.419520 0.000000 Minimization converged after 24 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:53:25 -47.369551 0.004997 LBFGSLineSearch: 1 23:53:27 -47.369553 0.005563 LBFGSLineSearch: 2 23:53:27 -47.369554 0.003418 LBFGSLineSearch: 3 23:53:28 -47.369555 0.002142 LBFGSLineSearch: 4 23:53:28 -47.369556 0.003604 LBFGSLineSearch: 5 23:53:30 -47.369557 0.002775 LBFGSLineSearch: 6 23:53:31 -47.369558 0.001626 LBFGSLineSearch: 7 23:53:32 -47.369558 0.000893 LBFGSLineSearch: 8 23:53:32 -47.369559 0.000876 LBFGSLineSearch: 9 23:53:33 -47.369559 0.000365 LBFGSLineSearch: 10 23:53:34 -47.369559 0.000317 LBFGSLineSearch: 11 23:53:34 -47.369559 0.000190 LBFGSLineSearch: 12 23:53:34 -47.369559 0.000270 LBFGSLineSearch: 13 23:53:35 -47.369559 0.000153 LBFGSLineSearch: 14 23:53:37 -47.369559 0.000135 LBFGSLineSearch: 15 23:53:38 -47.369559 0.000143 LBFGSLineSearch: 16 23:53:39 -47.369559 0.000095 LBFGSLineSearch: 17 23:53:41 -47.369559 0.000034 LBFGSLineSearch: 18 23:53:44 -47.369559 0.000045 LBFGSLineSearch: 19 23:53:44 -47.369559 0.000015 LBFGSLineSearch: 20 23:53:46 -47.369559 0.000001 Minimization converged after 20 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:54:00 -47.313488 0.005608 LBFGSLineSearch: 1 23:54:01 -47.313491 0.006249 LBFGSLineSearch: 2 23:54:02 -47.313492 0.003807 LBFGSLineSearch: 3 23:54:02 -47.313493 0.002403 LBFGSLineSearch: 4 23:54:03 -47.313494 0.004058 LBFGSLineSearch: 5 23:54:03 -47.313496 0.003031 LBFGSLineSearch: 6 23:54:04 -47.313497 0.001826 LBFGSLineSearch: 7 23:54:04 -47.313498 0.000993 LBFGSLineSearch: 8 23:54:04 -47.313498 0.000963 LBFGSLineSearch: 9 23:54:05 -47.313498 0.000408 LBFGSLineSearch: 10 23:54:05 -47.313498 0.000359 LBFGSLineSearch: 11 23:54:05 -47.313498 0.000214 LBFGSLineSearch: 12 23:54:05 -47.313498 0.000323 LBFGSLineSearch: 13 23:54:06 -47.313498 0.000171 LBFGSLineSearch: 14 23:54:06 -47.313498 0.000253 LBFGSLineSearch: 15 23:54:08 -47.313498 0.000140 LBFGSLineSearch: 16 23:54:10 -47.313498 0.000142 LBFGSLineSearch: 17 23:54:15 -47.313498 0.000107 LBFGSLineSearch: 18 23:54:20 -47.313498 0.000036 LBFGSLineSearch: 19 23:54:23 -47.313498 0.000021 LBFGSLineSearch: 20 23:54:26 -47.313498 0.000021 LBFGSLineSearch: 21 23:54:30 -47.313498 0.000000 Minimization converged after 21 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:54:48 -47.250584 0.006291 LBFGSLineSearch: 1 23:54:49 -47.250588 0.007021 LBFGSLineSearch: 2 23:54:49 -47.250589 0.004235 LBFGSLineSearch: 3 23:54:49 -47.250590 0.002695 LBFGSLineSearch: 4 23:54:50 -47.250592 0.004577 LBFGSLineSearch: 5 23:54:50 -47.250593 0.003375 LBFGSLineSearch: 6 23:54:50 -47.250595 0.002050 LBFGSLineSearch: 7 23:54:51 -47.250596 0.001103 LBFGSLineSearch: 8 23:54:51 -47.250596 0.001055 LBFGSLineSearch: 9 23:54:51 -47.250596 0.000456 LBFGSLineSearch: 10 23:54:52 -47.250596 0.000407 LBFGSLineSearch: 11 23:54:52 -47.250596 0.000240 LBFGSLineSearch: 12 23:54:52 -47.250597 0.000385 LBFGSLineSearch: 13 23:54:52 -47.250597 0.000190 LBFGSLineSearch: 14 23:54:53 -47.250597 0.000281 LBFGSLineSearch: 15 23:54:53 -47.250597 0.000147 LBFGSLineSearch: 16 23:54:56 -47.250597 0.000166 LBFGSLineSearch: 17 23:54:57 -47.250597 0.000167 LBFGSLineSearch: 18 23:54:58 -47.250597 0.000129 LBFGSLineSearch: 19 23:54:59 -47.250597 0.000106 LBFGSLineSearch: 20 23:55:01 -47.250597 0.000034 LBFGSLineSearch: 21 23:55:04 -47.250597 0.000020 LBFGSLineSearch: 22 23:55:06 -47.250597 0.000009 Minimization converged after 22 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:55:21 -47.180006 0.007063 LBFGSLineSearch: 1 23:55:22 -47.180011 0.007900 LBFGSLineSearch: 2 23:55:22 -47.180013 0.004731 LBFGSLineSearch: 3 23:55:22 -47.180014 0.003025 LBFGSLineSearch: 4 23:55:23 -47.180016 0.005209 LBFGSLineSearch: 5 23:55:24 -47.180018 0.003754 LBFGSLineSearch: 6 23:55:25 -47.180020 0.002295 LBFGSLineSearch: 7 23:55:26 -47.180022 0.001221 LBFGSLineSearch: 8 23:55:27 -47.180022 0.001151 LBFGSLineSearch: 9 23:55:28 -47.180022 0.000507 LBFGSLineSearch: 10 23:55:28 -47.180022 0.000461 LBFGSLineSearch: 11 23:55:29 -47.180022 0.000269 LBFGSLineSearch: 12 23:55:30 -47.180022 0.000459 LBFGSLineSearch: 13 23:55:31 -47.180022 0.000213 LBFGSLineSearch: 14 23:55:33 -47.180022 0.000309 LBFGSLineSearch: 15 23:55:37 -47.180022 0.000180 LBFGSLineSearch: 16 23:55:39 -47.180022 0.000143 LBFGSLineSearch: 17 23:55:43 -47.180022 0.000074 LBFGSLineSearch: 18 23:55:45 -47.180022 0.000055 LBFGSLineSearch: 19 23:55:47 -47.180022 0.000039 LBFGSLineSearch: 20 23:55:50 -47.180022 0.000025 LBFGSLineSearch: 21 23:55:52 -47.180022 0.000001 Minimization converged after 21 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:56:08 -47.100824 0.007920 LBFGSLineSearch: 1 23:56:09 -47.100830 0.008862 LBFGSLineSearch: 2 23:56:10 -47.100832 0.005219 LBFGSLineSearch: 3 23:56:10 -47.100834 0.003387 LBFGSLineSearch: 4 23:56:11 -47.100836 0.005810 LBFGSLineSearch: 5 23:56:11 -47.100839 0.004162 LBFGSLineSearch: 6 23:56:13 -47.100841 0.002582 LBFGSLineSearch: 7 23:56:14 -47.100843 0.001351 LBFGSLineSearch: 8 23:56:16 -47.100843 0.001245 LBFGSLineSearch: 9 23:56:18 -47.100844 0.000561 LBFGSLineSearch: 10 23:56:19 -47.100844 0.000523 LBFGSLineSearch: 11 23:56:20 -47.100844 0.000301 LBFGSLineSearch: 12 23:56:20 -47.100844 0.000485 LBFGSLineSearch: 13 23:56:21 -47.100844 0.000240 LBFGSLineSearch: 14 23:56:22 -47.100844 0.000336 LBFGSLineSearch: 15 23:56:23 -47.100844 0.000200 LBFGSLineSearch: 16 23:56:25 -47.100844 0.000162 LBFGSLineSearch: 17 23:56:25 -47.100844 0.000187 LBFGSLineSearch: 18 23:56:25 -47.100844 0.000070 LBFGSLineSearch: 19 23:56:26 -47.100844 0.000045 LBFGSLineSearch: 20 23:56:27 -47.100844 0.000059 LBFGSLineSearch: 21 23:56:28 -47.100844 0.000023 LBFGSLineSearch: 22 23:56:30 -47.100844 0.000017 LBFGSLineSearch: 23 23:56:31 -47.100844 0.000000 Minimization converged after 23 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:56:46 -47.011992 0.008885 LBFGSLineSearch: 1 23:56:47 -47.012000 0.009960 LBFGSLineSearch: 2 23:56:49 -47.012003 0.005781 LBFGSLineSearch: 3 23:56:52 -47.012005 0.003795 LBFGSLineSearch: 4 23:56:53 -47.012008 0.006553 LBFGSLineSearch: 5 23:56:53 -47.012011 0.004606 LBFGSLineSearch: 6 23:56:53 -47.012014 0.002894 LBFGSLineSearch: 7 23:56:56 -47.012016 0.001489 LBFGSLineSearch: 8 23:56:58 -47.012017 0.001337 LBFGSLineSearch: 9 23:56:59 -47.012017 0.000617 LBFGSLineSearch: 10 23:57:02 -47.012017 0.000593 LBFGSLineSearch: 11 23:57:04 -47.012017 0.000337 LBFGSLineSearch: 12 23:57:07 -47.012017 0.000514 LBFGSLineSearch: 13 23:57:10 -47.012017 0.000271 LBFGSLineSearch: 14 23:57:12 -47.012017 0.000368 LBFGSLineSearch: 15 23:57:14 -47.012017 0.000219 LBFGSLineSearch: 16 23:57:16 -47.012017 0.000182 LBFGSLineSearch: 17 23:57:18 -47.012017 0.000182 LBFGSLineSearch: 18 23:57:19 -47.012017 0.000254 LBFGSLineSearch: 19 23:57:20 -47.012017 0.000051 LBFGSLineSearch: 20 23:57:20 -47.012017 0.000033 LBFGSLineSearch: 21 23:57:20 -47.012017 0.000020 LBFGSLineSearch: 22 23:57:21 -47.012017 0.000000 Minimization converged after 22 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:57:36 -46.912342 0.009968 LBFGSLineSearch: 1 23:57:37 -46.912352 0.011194 LBFGSLineSearch: 2 23:57:39 -46.912356 0.006388 LBFGSLineSearch: 3 23:57:40 -46.912358 0.004248 LBFGSLineSearch: 4 23:57:43 -46.912362 0.007384 LBFGSLineSearch: 5 23:57:45 -46.912366 0.005080 LBFGSLineSearch: 6 23:57:46 -46.912370 0.003239 LBFGSLineSearch: 7 23:57:49 -46.912373 0.001635 LBFGSLineSearch: 8 23:57:51 -46.912373 0.001419 LBFGSLineSearch: 9 23:57:53 -46.912373 0.000676 LBFGSLineSearch: 10 23:57:56 -46.912374 0.000674 LBFGSLineSearch: 11 23:57:56 -46.912374 0.000376 LBFGSLineSearch: 12 23:57:57 -46.912374 0.000559 LBFGSLineSearch: 13 23:57:58 -46.912374 0.000313 LBFGSLineSearch: 14 23:57:59 -46.912374 0.000419 LBFGSLineSearch: 15 23:58:01 -46.912374 0.000237 LBFGSLineSearch: 16 23:58:02 -46.912374 0.000313 LBFGSLineSearch: 17 23:58:05 -46.912374 0.000217 LBFGSLineSearch: 18 23:58:09 -46.912374 0.000067 LBFGSLineSearch: 19 23:58:13 -46.912374 0.000071 LBFGSLineSearch: 20 23:58:17 -46.912374 0.000047 LBFGSLineSearch: 21 23:58:20 -46.912374 0.000034 LBFGSLineSearch: 22 23:58:21 -46.912374 0.000000 Minimization converged after 22 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:58:37 -46.800564 0.011181 LBFGSLineSearch: 1 23:58:38 -46.800577 0.012581 LBFGSLineSearch: 2 23:58:38 -46.800582 0.007040 LBFGSLineSearch: 3 23:58:39 -46.800585 0.004751 LBFGSLineSearch: 4 23:58:39 -46.800590 0.008314 LBFGSLineSearch: 5 23:58:40 -46.800594 0.005584 LBFGSLineSearch: 6 23:58:40 -46.800599 0.003616 LBFGSLineSearch: 7 23:58:41 -46.800603 0.001787 LBFGSLineSearch: 8 23:58:41 -46.800604 0.001483 LBFGSLineSearch: 9 23:58:41 -46.800604 0.000744 LBFGSLineSearch: 10 23:58:42 -46.800604 0.000766 LBFGSLineSearch: 11 23:58:45 -46.800604 0.000417 LBFGSLineSearch: 12 23:58:47 -46.800604 0.000411 LBFGSLineSearch: 13 23:58:47 -46.800604 0.000380 LBFGSLineSearch: 14 23:58:48 -46.800605 0.000301 LBFGSLineSearch: 15 23:58:48 -46.800605 0.000295 LBFGSLineSearch: 16 23:58:49 -46.800605 0.000262 LBFGSLineSearch: 17 23:58:51 -46.800605 0.000327 LBFGSLineSearch: 18 23:58:53 -46.800605 0.000238 LBFGSLineSearch: 19 23:58:54 -46.800605 0.000089 LBFGSLineSearch: 20 23:58:55 -46.800605 0.000069 LBFGSLineSearch: 21 23:58:58 -46.800605 0.000042 LBFGSLineSearch: 22 23:59:01 -46.800605 0.000028 LBFGSLineSearch: 23 23:59:02 -46.800605 0.000021 LBFGSLineSearch: 24 23:59:06 -46.800605 0.000001 Minimization converged after 24 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 23:59:20 -46.675193 0.012541 LBFGSLineSearch: 1 23:59:20 -46.675210 0.013992 LBFGSLineSearch: 2 23:59:20 -46.675217 0.007737 LBFGSLineSearch: 3 23:59:21 -46.675220 0.005325 LBFGSLineSearch: 4 23:59:21 -46.675226 0.009371 LBFGSLineSearch: 5 23:59:21 -46.675232 0.006069 LBFGSLineSearch: 6 23:59:21 -46.675238 0.003802 LBFGSLineSearch: 7 23:59:22 -46.675242 0.002551 LBFGSLineSearch: 8 23:59:23 -46.675244 0.001690 LBFGSLineSearch: 9 23:59:23 -46.675244 0.001283 LBFGSLineSearch: 10 23:59:23 -46.675244 0.000882 LBFGSLineSearch: 11 23:59:24 -46.675244 0.000453 LBFGSLineSearch: 12 23:59:25 -46.675244 0.000508 LBFGSLineSearch: 13 23:59:26 -46.675244 0.000507 LBFGSLineSearch: 14 23:59:28 -46.675244 0.000356 LBFGSLineSearch: 15 23:59:30 -46.675245 0.000295 LBFGSLineSearch: 16 23:59:31 -46.675245 0.000290 LBFGSLineSearch: 17 23:59:33 -46.675245 0.000278 LBFGSLineSearch: 18 23:59:34 -46.675245 0.000163 LBFGSLineSearch: 19 23:59:36 -46.675245 0.000092 LBFGSLineSearch: 20 23:59:38 -46.675245 0.000084 LBFGSLineSearch: 21 23:59:40 -46.675245 0.000046 LBFGSLineSearch: 22 23:59:42 -46.675245 0.000022 LBFGSLineSearch: 23 23:59:45 -46.675245 0.000003 Minimization converged after 23 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:00:00 -46.534590 0.014066 LBFGSLineSearch: 1 00:00:01 -46.534612 0.015534 LBFGSLineSearch: 2 00:00:01 -46.534620 0.008480 LBFGSLineSearch: 3 00:00:02 -46.534624 0.005960 LBFGSLineSearch: 4 00:00:04 -46.534632 0.010560 LBFGSLineSearch: 5 00:00:09 -46.534639 0.006567 LBFGSLineSearch: 6 00:00:10 -46.534646 0.003785 LBFGSLineSearch: 7 00:00:13 -46.534650 0.004155 LBFGSLineSearch: 8 00:00:15 -46.534653 0.001410 LBFGSLineSearch: 9 00:00:18 -46.534654 0.001161 LBFGSLineSearch: 10 00:00:22 -46.534654 0.000904 LBFGSLineSearch: 11 00:00:25 -46.534654 0.000531 LBFGSLineSearch: 12 00:00:28 -46.534654 0.000717 LBFGSLineSearch: 13 00:00:30 -46.534654 0.000449 LBFGSLineSearch: 14 00:00:31 -46.534654 0.000317 LBFGSLineSearch: 15 00:00:33 -46.534654 0.000323 LBFGSLineSearch: 16 00:00:38 -46.534655 0.000409 LBFGSLineSearch: 17 00:00:40 -46.534655 0.000315 LBFGSLineSearch: 18 00:00:44 -46.534655 0.000112 LBFGSLineSearch: 19 00:00:46 -46.534655 0.000108 LBFGSLineSearch: 20 00:00:48 -46.534655 0.000089 LBFGSLineSearch: 21 00:00:52 -46.534655 0.000081 LBFGSLineSearch: 22 00:00:54 -46.534655 0.000014 LBFGSLineSearch: 23 00:00:56 -46.534655 0.000008 Minimization converged after 23 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:01:09 -46.376920 0.015775 LBFGSLineSearch: 1 00:01:11 -46.376948 0.017212 LBFGSLineSearch: 2 00:01:14 -46.376958 0.009243 LBFGSLineSearch: 3 00:01:19 -46.376963 0.006653 LBFGSLineSearch: 4 00:01:25 -46.376973 0.011841 LBFGSLineSearch: 5 00:01:28 -46.376981 0.007077 LBFGSLineSearch: 6 00:01:31 -46.376990 0.003764 LBFGSLineSearch: 7 00:01:33 -46.376994 0.005156 LBFGSLineSearch: 8 00:01:37 -46.377000 0.001587 LBFGSLineSearch: 9 00:01:42 -46.377000 0.001207 LBFGSLineSearch: 10 00:01:45 -46.377000 0.001033 LBFGSLineSearch: 11 00:01:48 -46.377000 0.000597 LBFGSLineSearch: 12 00:01:51 -46.377001 0.000533 LBFGSLineSearch: 13 00:01:53 -46.377001 0.000530 LBFGSLineSearch: 14 00:01:55 -46.377001 0.000680 LBFGSLineSearch: 15 00:01:57 -46.377001 0.000559 LBFGSLineSearch: 16 00:02:00 -46.377001 0.000422 LBFGSLineSearch: 17 00:02:04 -46.377001 0.000684 LBFGSLineSearch: 18 00:02:05 -46.377001 0.000447 LBFGSLineSearch: 19 00:02:09 -46.377001 0.000367 LBFGSLineSearch: 20 00:02:13 -46.377001 0.000248 LBFGSLineSearch: 21 00:02:15 -46.377001 0.000250 LBFGSLineSearch: 22 00:02:15 -46.377001 0.000220 LBFGSLineSearch: 23 00:02:16 -46.377001 0.000196 LBFGSLineSearch: 24 00:02:19 -46.377001 0.000105 LBFGSLineSearch: 25 00:02:22 -46.377001 0.000089 LBFGSLineSearch: 26 00:02:23 -46.377001 0.000004 Minimization converged after 26 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:02:41 -46.200133 0.017687 LBFGSLineSearch: 1 00:02:42 -46.200168 0.019036 LBFGSLineSearch: 2 00:02:43 -46.200181 0.010030 LBFGSLineSearch: 3 00:02:43 -46.200188 0.007409 LBFGSLineSearch: 4 00:02:48 -46.200199 0.013225 LBFGSLineSearch: 5 00:02:50 -46.200210 0.007590 LBFGSLineSearch: 6 00:02:54 -46.200221 0.004595 LBFGSLineSearch: 7 00:02:57 -46.200225 0.006206 LBFGSLineSearch: 8 00:02:59 -46.200233 0.001768 LBFGSLineSearch: 9 00:03:02 -46.200234 0.001547 LBFGSLineSearch: 10 00:03:06 -46.200234 0.001046 LBFGSLineSearch: 11 00:03:08 -46.200234 0.000633 LBFGSLineSearch: 12 00:03:10 -46.200234 0.000713 LBFGSLineSearch: 13 00:03:13 -46.200234 0.000775 LBFGSLineSearch: 14 00:03:14 -46.200235 0.000583 LBFGSLineSearch: 15 00:03:17 -46.200235 0.000781 LBFGSLineSearch: 16 00:03:18 -46.200235 0.000649 LBFGSLineSearch: 17 00:03:20 -46.200235 0.000382 LBFGSLineSearch: 18 00:03:21 -46.200235 0.000351 LBFGSLineSearch: 19 00:03:24 -46.200235 0.000137 LBFGSLineSearch: 20 00:03:28 -46.200235 0.000172 LBFGSLineSearch: 21 00:03:32 -46.200235 0.000053 LBFGSLineSearch: 22 00:03:36 -46.200235 0.000046 LBFGSLineSearch: 23 00:03:37 -46.200235 0.000000 Minimization converged after 23 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:03:57 -46.001937 0.019830 LBFGSLineSearch: 1 00:04:00 -46.001981 0.021014 LBFGSLineSearch: 2 00:04:01 -46.001998 0.010815 LBFGSLineSearch: 3 00:04:02 -46.002007 0.008213 LBFGSLineSearch: 4 00:04:04 -46.002021 0.014677 LBFGSLineSearch: 5 00:04:07 -46.002034 0.008093 LBFGSLineSearch: 6 00:04:11 -46.002047 0.005535 LBFGSLineSearch: 7 00:04:12 -46.002053 0.007585 LBFGSLineSearch: 8 00:04:16 -46.002063 0.001949 LBFGSLineSearch: 9 00:04:19 -46.002064 0.002517 LBFGSLineSearch: 10 00:04:22 -46.002064 0.001360 LBFGSLineSearch: 11 00:04:25 -46.002064 0.000660 LBFGSLineSearch: 12 00:04:28 -46.002065 0.000880 LBFGSLineSearch: 13 00:04:30 -46.002065 0.000890 LBFGSLineSearch: 14 00:04:34 -46.002065 0.000687 LBFGSLineSearch: 15 00:04:37 -46.002066 0.000822 LBFGSLineSearch: 16 00:04:37 -46.002066 0.000557 LBFGSLineSearch: 17 00:04:38 -46.002066 0.000726 LBFGSLineSearch: 18 00:04:40 -46.002066 0.000338 LBFGSLineSearch: 19 00:04:41 -46.002066 0.000144 LBFGSLineSearch: 20 00:04:41 -46.002066 0.000108 LBFGSLineSearch: 21 00:04:42 -46.002066 0.000094 LBFGSLineSearch: 22 00:04:44 -46.002066 0.000055 LBFGSLineSearch: 23 00:04:45 -46.002066 0.000058 LBFGSLineSearch: 24 00:04:46 -46.002066 0.000001 Minimization converged after 24 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:05:02 -45.779774 0.022229 LBFGSLineSearch: 1 00:05:03 -45.779831 0.023138 LBFGSLineSearch: 2 00:05:03 -45.779852 0.011849 LBFGSLineSearch: 3 00:05:05 -45.779864 0.009051 LBFGSLineSearch: 4 00:05:06 -45.779880 0.016117 LBFGSLineSearch: 5 00:05:10 -45.779897 0.008570 LBFGSLineSearch: 6 00:05:13 -45.779913 0.006573 LBFGSLineSearch: 7 00:05:16 -45.779919 0.007056 LBFGSLineSearch: 8 00:05:19 -45.779927 0.008215 LBFGSLineSearch: 9 00:05:22 -45.779933 0.001881 LBFGSLineSearch: 10 00:05:26 -45.779934 0.001183 LBFGSLineSearch: 11 00:05:28 -45.779935 0.000823 LBFGSLineSearch: 12 00:05:30 -45.779935 0.001052 LBFGSLineSearch: 13 00:05:34 -45.779935 0.001353 LBFGSLineSearch: 14 00:05:36 -45.779936 0.000895 LBFGSLineSearch: 15 00:05:40 -45.779936 0.000851 LBFGSLineSearch: 16 00:05:44 -45.779936 0.000909 LBFGSLineSearch: 17 00:05:46 -45.779937 0.000757 LBFGSLineSearch: 18 00:05:47 -45.779937 0.000552 LBFGSLineSearch: 19 00:05:48 -45.779937 0.000163 LBFGSLineSearch: 20 00:05:49 -45.779937 0.000183 LBFGSLineSearch: 21 00:05:50 -45.779937 0.000108 LBFGSLineSearch: 22 00:05:52 -45.779937 0.000095 LBFGSLineSearch: 23 00:05:55 -45.779937 0.000062 LBFGSLineSearch: 24 00:05:59 -45.779937 0.000057 LBFGSLineSearch: 25 00:06:02 -45.779937 0.000008 Minimization converged after 25 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:06:19 -45.530788 0.024915 LBFGSLineSearch: 1 00:06:24 -45.530862 0.025406 LBFGSLineSearch: 2 00:06:27 -45.530890 0.013237 LBFGSLineSearch: 3 00:06:28 -45.530904 0.010462 LBFGSLineSearch: 4 00:06:32 -45.530923 0.017434 LBFGSLineSearch: 5 00:06:36 -45.530945 0.009056 LBFGSLineSearch: 6 00:06:41 -45.530963 0.007672 LBFGSLineSearch: 7 00:06:43 -45.530972 0.008564 LBFGSLineSearch: 8 00:06:45 -45.530981 0.010180 LBFGSLineSearch: 9 00:06:48 -45.530989 0.002235 LBFGSLineSearch: 10 00:06:51 -45.530991 0.001393 LBFGSLineSearch: 11 00:06:54 -45.530992 0.001056 LBFGSLineSearch: 12 00:06:57 -45.530992 0.001284 LBFGSLineSearch: 13 00:06:59 -45.530993 0.001464 LBFGSLineSearch: 14 00:07:00 -45.530993 0.000923 LBFGSLineSearch: 15 00:07:03 -45.530994 0.001111 LBFGSLineSearch: 16 00:07:09 -45.530994 0.001407 LBFGSLineSearch: 17 00:07:13 -45.530994 0.000816 LBFGSLineSearch: 18 00:07:17 -45.530994 0.000692 LBFGSLineSearch: 19 00:07:19 -45.530994 0.000630 LBFGSLineSearch: 20 00:07:20 -45.530994 0.000452 LBFGSLineSearch: 21 00:07:22 -45.530994 0.000328 LBFGSLineSearch: 22 00:07:24 -45.530994 0.000206 LBFGSLineSearch: 23 00:07:26 -45.530994 0.000094 LBFGSLineSearch: 24 00:07:30 -45.530994 0.000045 LBFGSLineSearch: 25 00:07:31 -45.530994 0.000028 LBFGSLineSearch: 26 00:07:33 -45.530994 0.000023 LBFGSLineSearch: 27 00:07:35 -45.530994 0.000000 Minimization converged after 27 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:52 -45.251798 0.027920 LBFGSLineSearch: 1 00:07:53 -45.251892 0.027801 LBFGSLineSearch: 2 00:07:54 -45.251928 0.014767 LBFGSLineSearch: 3 00:07:57 -45.251946 0.012175 LBFGSLineSearch: 4 00:08:00 -45.251968 0.018385 LBFGSLineSearch: 5 00:08:00 -45.251997 0.010479 LBFGSLineSearch: 6 00:08:01 -45.252018 0.008727 LBFGSLineSearch: 7 00:08:01 -45.252028 0.009504 LBFGSLineSearch: 8 00:08:02 -45.252040 0.011973 LBFGSLineSearch: 9 00:08:03 -45.252051 0.003187 LBFGSLineSearch: 10 00:08:07 -45.252054 0.001570 LBFGSLineSearch: 11 00:08:10 -45.252054 0.001342 LBFGSLineSearch: 12 00:08:13 -45.252055 0.001697 LBFGSLineSearch: 13 00:08:14 -45.252056 0.002023 LBFGSLineSearch: 14 00:08:16 -45.252056 0.001614 LBFGSLineSearch: 15 00:08:17 -45.252057 0.001268 LBFGSLineSearch: 16 00:08:18 -45.252058 0.001373 LBFGSLineSearch: 17 00:08:19 -45.252058 0.001211 LBFGSLineSearch: 18 00:08:21 -45.252058 0.000744 LBFGSLineSearch: 19 00:08:23 -45.252058 0.000523 LBFGSLineSearch: 20 00:08:24 -45.252058 0.000177 LBFGSLineSearch: 21 00:08:26 -45.252058 0.000097 LBFGSLineSearch: 22 00:08:29 -45.252058 0.000077 LBFGSLineSearch: 23 00:08:31 -45.252058 0.000050 LBFGSLineSearch: 24 00:08:32 -45.252058 0.000083 LBFGSLineSearch: 25 00:08:36 -45.252058 0.000005 Minimization converged after 25 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:08:53 -44.939256 0.031283 LBFGSLineSearch: 1 00:08:58 -44.939377 0.030301 LBFGSLineSearch: 2 00:09:02 -44.939425 0.016417 LBFGSLineSearch: 3 00:09:06 -44.939447 0.014189 LBFGSLineSearch: 4 00:09:09 -44.939473 0.018730 LBFGSLineSearch: 5 00:09:13 -44.939508 0.011869 LBFGSLineSearch: 6 00:09:15 -44.939534 0.009490 LBFGSLineSearch: 7 00:09:17 -44.939545 0.009420 LBFGSLineSearch: 8 00:09:18 -44.939560 0.012184 LBFGSLineSearch: 9 00:09:20 -44.939575 0.004738 LBFGSLineSearch: 10 00:09:22 -44.939579 0.002022 LBFGSLineSearch: 11 00:09:24 -44.939580 0.001944 LBFGSLineSearch: 12 00:09:25 -44.939581 0.001886 LBFGSLineSearch: 13 00:09:27 -44.939582 0.001555 LBFGSLineSearch: 14 00:09:29 -44.939583 0.002148 LBFGSLineSearch: 15 00:09:32 -44.939584 0.002166 LBFGSLineSearch: 16 00:09:35 -44.939585 0.001710 LBFGSLineSearch: 17 00:09:41 -44.939585 0.001802 LBFGSLineSearch: 18 00:09:44 -44.939586 0.000733 LBFGSLineSearch: 19 00:09:48 -44.939586 0.000866 LBFGSLineSearch: 20 00:09:52 -44.939587 0.000545 LBFGSLineSearch: 21 00:09:55 -44.939587 0.000226 LBFGSLineSearch: 22 00:09:59 -44.939587 0.000141 LBFGSLineSearch: 23 00:10:02 -44.939587 0.000140 LBFGSLineSearch: 24 00:10:06 -44.939587 0.000071 LBFGSLineSearch: 25 00:10:09 -44.939587 0.000000 Minimization converged after 25 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:10:26 -44.589221 0.035037 LBFGSLineSearch: 1 00:10:27 -44.589376 0.032851 LBFGSLineSearch: 2 00:10:29 -44.589441 0.018277 LBFGSLineSearch: 3 00:10:33 -44.589476 0.014827 LBFGSLineSearch: 4 00:10:36 -44.589516 0.015125 LBFGSLineSearch: 5 00:10:40 -44.589539 0.014820 LBFGSLineSearch: 6 00:10:43 -44.589575 0.008612 LBFGSLineSearch: 7 00:10:46 -44.589587 0.009748 LBFGSLineSearch: 8 00:10:49 -44.589604 0.010676 LBFGSLineSearch: 9 00:10:52 -44.589622 0.006997 LBFGSLineSearch: 10 00:10:52 -44.589629 0.004652 LBFGSLineSearch: 11 00:10:53 -44.589631 0.002541 LBFGSLineSearch: 12 00:10:56 -44.589632 0.003103 LBFGSLineSearch: 13 00:10:59 -44.589633 0.001970 LBFGSLineSearch: 14 00:11:03 -44.589635 0.002088 LBFGSLineSearch: 15 00:11:06 -44.589636 0.002105 LBFGSLineSearch: 16 00:11:08 -44.589638 0.002130 LBFGSLineSearch: 17 00:11:09 -44.589639 0.002082 LBFGSLineSearch: 18 00:11:11 -44.589639 0.002353 LBFGSLineSearch: 19 00:11:12 -44.589641 0.001168 LBFGSLineSearch: 20 00:11:14 -44.589641 0.000602 LBFGSLineSearch: 21 00:11:16 -44.589641 0.000396 LBFGSLineSearch: 22 00:11:22 -44.589641 0.000491 LBFGSLineSearch: 23 00:11:28 -44.589641 0.000249 LBFGSLineSearch: 24 00:11:33 -44.589641 0.000082 LBFGSLineSearch: 25 00:11:37 -44.589641 0.000009 Minimization converged after 25 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:11:58 -44.197314 0.039233 LBFGSLineSearch: 1 00:12:02 -44.197513 0.035397 LBFGSLineSearch: 2 00:12:05 -44.197601 0.020748 LBFGSLineSearch: 3 00:12:10 -44.197648 0.017846 LBFGSLineSearch: 4 00:12:14 -44.197687 0.014947 LBFGSLineSearch: 5 00:12:16 -44.197713 0.014877 LBFGSLineSearch: 6 00:12:19 -44.197759 0.010603 LBFGSLineSearch: 7 00:12:22 -44.197787 0.013299 LBFGSLineSearch: 8 00:12:25 -44.197804 0.011324 LBFGSLineSearch: 9 00:12:30 -44.197821 0.006813 LBFGSLineSearch: 10 00:12:34 -44.197830 0.011619 LBFGSLineSearch: 11 00:12:36 -44.197835 0.005486 LBFGSLineSearch: 12 00:12:37 -44.197837 0.003732 LBFGSLineSearch: 13 00:12:44 -44.197839 0.003582 LBFGSLineSearch: 14 00:12:47 -44.197841 0.002355 LBFGSLineSearch: 15 00:12:53 -44.197844 0.007149 LBFGSLineSearch: 16 00:12:54 -44.197846 0.002987 LBFGSLineSearch: 17 00:12:55 -44.197849 0.002806 LBFGSLineSearch: 18 00:12:58 -44.197850 0.001897 LBFGSLineSearch: 19 00:13:02 -44.197851 0.002451 LBFGSLineSearch: 20 00:13:06 -44.197852 0.001158 LBFGSLineSearch: 21 00:13:07 -44.197853 0.001216 LBFGSLineSearch: 22 00:13:07 -44.197853 0.000474 LBFGSLineSearch: 23 00:13:07 -44.197853 0.000369 LBFGSLineSearch: 24 00:13:07 -44.197853 0.000350 LBFGSLineSearch: 25 00:13:07 -44.197853 0.000177 LBFGSLineSearch: 26 00:13:07 -44.197853 0.000121 LBFGSLineSearch: 27 00:13:07 -44.197853 0.000062 LBFGSLineSearch: 28 00:13:08 -44.197853 0.000005 Minimization converged after 28 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:13:48 -43.758698 0.043916 LBFGSLineSearch: 1 00:13:51 -43.758954 0.037845 LBFGSLineSearch: 2 00:13:52 -43.759076 0.023887 LBFGSLineSearch: 3 00:13:57 -43.759146 0.021924 LBFGSLineSearch: 4 00:13:59 -43.759189 0.014754 LBFGSLineSearch: 5 00:14:00 -43.759216 0.014610 LBFGSLineSearch: 6 00:14:02 -43.759273 0.024687 LBFGSLineSearch: 7 00:14:03 -43.759327 0.019335 LBFGSLineSearch: 8 00:14:04 -43.759374 0.008229 LBFGSLineSearch: 9 00:14:04 -43.759382 0.009654 LBFGSLineSearch: 10 00:14:05 -43.759400 0.007734 LBFGSLineSearch: 11 00:14:06 -43.759411 0.008849 LBFGSLineSearch: 12 00:14:08 -43.759544 0.032880 LBFGSLineSearch: 13 00:14:11 -43.759982 0.096634 LBFGSLineSearch: 14 00:14:12 -43.760048 0.098641 LBFGSLineSearch: 15 00:14:13 -43.762072 0.208935 LBFGSLineSearch: 16 00:14:14 -43.763086 0.205010 LBFGSLineSearch: 17 00:14:16 -43.768755 0.187963 LBFGSLineSearch: 18 00:14:17 -43.776858 0.414918 LBFGSLineSearch: 19 00:14:19 -43.784579 0.364698 LBFGSLineSearch: 20 00:14:21 -43.806557 0.278822 LBFGSLineSearch: 21 00:14:24 -43.818738 0.171125 LBFGSLineSearch: 22 00:14:26 -43.825333 0.133813 LBFGSLineSearch: 23 00:14:28 -43.830607 0.097149 LBFGSLineSearch: 24 00:14:31 -43.833262 0.166420 LBFGSLineSearch: 25 00:14:34 -43.835269 0.143680 LBFGSLineSearch: 26 00:14:38 -43.839378 0.154430 LBFGSLineSearch: 27 00:14:42 -43.843840 0.122919 LBFGSLineSearch: 28 00:14:45 -43.845210 0.069605 LBFGSLineSearch: 29 00:14:49 -43.846132 0.064665 LBFGSLineSearch: 30 00:14:53 -43.847720 0.041141 LBFGSLineSearch: 31 00:14:56 -43.847943 0.033631 LBFGSLineSearch: 32 00:15:01 -43.848189 0.036556 LBFGSLineSearch: 33 00:15:04 -43.848695 0.030286 LBFGSLineSearch: 34 00:15:06 -43.848806 0.014545 LBFGSLineSearch: 35 00:15:08 -43.848850 0.010712 LBFGSLineSearch: 36 00:15:10 -43.848866 0.003639 LBFGSLineSearch: 37 00:15:13 -43.848867 0.001384 LBFGSLineSearch: 38 00:15:15 -43.848867 0.000520 LBFGSLineSearch: 39 00:15:18 -43.848867 0.000588 LBFGSLineSearch: 40 00:15:24 -43.848867 0.000250 LBFGSLineSearch: 41 00:15:29 -43.848867 0.000029 LBFGSLineSearch: 42 00:15:34 -43.848867 0.000002 Minimization converged after 42 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:15:52 -43.360509 0.048836 LBFGSLineSearch: 1 00:15:54 -43.360804 0.036035 LBFGSLineSearch: 2 00:15:55 -43.360888 0.023480 LBFGSLineSearch: 3 00:15:57 -43.360954 0.023306 LBFGSLineSearch: 4 00:15:59 -43.361052 0.026658 LBFGSLineSearch: 5 00:16:01 -43.361150 0.028708 LBFGSLineSearch: 6 00:16:02 -43.361278 0.022673 LBFGSLineSearch: 7 00:16:04 -43.361338 0.010213 LBFGSLineSearch: 8 00:16:05 -43.361349 0.007539 LBFGSLineSearch: 9 00:16:06 -43.361362 0.010554 LBFGSLineSearch: 10 00:16:06 -43.361380 0.003340 LBFGSLineSearch: 11 00:16:07 -43.361383 0.005262 LBFGSLineSearch: 12 00:16:07 -43.361385 0.003329 LBFGSLineSearch: 13 00:16:07 -43.361386 0.002470 LBFGSLineSearch: 14 00:16:07 -43.361387 0.003589 LBFGSLineSearch: 15 00:16:08 -43.361392 0.004302 LBFGSLineSearch: 16 00:16:08 -43.361395 0.005412 LBFGSLineSearch: 17 00:16:09 -43.361403 0.002001 LBFGSLineSearch: 18 00:16:09 -43.361404 0.001374 LBFGSLineSearch: 19 00:16:09 -43.361405 0.001599 LBFGSLineSearch: 20 00:16:10 -43.361405 0.001040 LBFGSLineSearch: 21 00:16:10 -43.361406 0.000623 LBFGSLineSearch: 22 00:16:10 -43.361406 0.000438 LBFGSLineSearch: 23 00:16:11 -43.361406 0.000573 LBFGSLineSearch: 24 00:16:13 -43.361406 0.000228 LBFGSLineSearch: 25 00:16:14 -43.361406 0.000085 LBFGSLineSearch: 26 00:16:14 -43.361406 0.000067 LBFGSLineSearch: 27 00:16:16 -43.361406 0.000037 LBFGSLineSearch: 28 00:16:17 -43.361406 0.000000 Minimization converged after 28 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:16:34 -42.815261 0.054614 LBFGSLineSearch: 1 00:16:37 -42.815634 0.038857 LBFGSLineSearch: 2 00:16:38 -42.815738 0.025644 LBFGSLineSearch: 3 00:16:40 -42.815819 0.027948 LBFGSLineSearch: 4 00:16:41 -42.815939 0.030110 LBFGSLineSearch: 5 00:16:42 -42.816079 0.026263 LBFGSLineSearch: 6 00:16:43 -42.816205 0.029199 LBFGSLineSearch: 7 00:16:46 -42.816229 0.017707 LBFGSLineSearch: 8 00:16:51 -42.816278 0.026849 LBFGSLineSearch: 9 00:16:52 -42.816302 0.011462 LBFGSLineSearch: 10 00:16:53 -42.816314 0.010075 LBFGSLineSearch: 11 00:16:54 -42.816333 0.013215 LBFGSLineSearch: 12 00:16:56 -42.816344 0.004318 LBFGSLineSearch: 13 00:16:57 -42.816347 0.004312 LBFGSLineSearch: 14 00:16:57 -42.816348 0.001824 LBFGSLineSearch: 15 00:16:58 -42.816348 0.001198 LBFGSLineSearch: 16 00:16:58 -42.816349 0.002228 LBFGSLineSearch: 17 00:17:01 -42.816349 0.000916 LBFGSLineSearch: 18 00:17:05 -42.816350 0.001484 LBFGSLineSearch: 19 00:17:08 -42.816350 0.000728 LBFGSLineSearch: 20 00:17:10 -42.816350 0.000620 LBFGSLineSearch: 21 00:17:11 -42.816350 0.000514 LBFGSLineSearch: 22 00:17:12 -42.816350 0.000438 LBFGSLineSearch: 23 00:17:14 -42.816350 0.000456 LBFGSLineSearch: 24 00:17:15 -42.816351 0.000234 LBFGSLineSearch: 25 00:17:17 -42.816351 0.000187 LBFGSLineSearch: 26 00:17:20 -42.816351 0.000153 LBFGSLineSearch: 27 00:17:24 -42.816351 0.000019 LBFGSLineSearch: 28 00:17:25 -42.816351 0.000001 Minimization converged after 28 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:17:44 -42.205585 0.061077 LBFGSLineSearch: 1 00:17:47 -42.205917 0.075757 LBFGSLineSearch: 2 00:17:48 -42.206059 0.064433 LBFGSLineSearch: 3 00:17:51 -42.206145 0.021317 LBFGSLineSearch: 4 00:17:55 -42.206230 0.040886 LBFGSLineSearch: 5 00:17:57 -42.206304 0.023895 LBFGSLineSearch: 6 00:17:59 -42.206430 0.019488 LBFGSLineSearch: 7 00:18:04 -42.206485 0.025549 LBFGSLineSearch: 8 00:18:07 -42.206540 0.012061 LBFGSLineSearch: 9 00:18:12 -42.206556 0.009568 LBFGSLineSearch: 10 00:18:15 -42.206574 0.009403 LBFGSLineSearch: 11 00:18:18 -42.206579 0.004206 LBFGSLineSearch: 12 00:18:22 -42.206581 0.003761 LBFGSLineSearch: 13 00:18:25 -42.206584 0.006307 LBFGSLineSearch: 14 00:18:27 -42.206586 0.003502 LBFGSLineSearch: 15 00:18:29 -42.206593 0.004664 LBFGSLineSearch: 16 00:18:34 -42.206596 0.004612 LBFGSLineSearch: 17 00:18:37 -42.206599 0.000847 LBFGSLineSearch: 18 00:18:41 -42.206599 0.000557 LBFGSLineSearch: 19 00:18:44 -42.206599 0.000327 LBFGSLineSearch: 20 00:18:46 -42.206599 0.000203 LBFGSLineSearch: 21 00:18:50 -42.206599 0.000211 LBFGSLineSearch: 22 00:18:52 -42.206599 0.000112 LBFGSLineSearch: 23 00:18:53 -42.206599 0.000001 Minimization converged after 23 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:19:07 -41.523316 0.068330 LBFGSLineSearch: 1 00:19:09 -41.523753 0.082752 LBFGSLineSearch: 2 00:19:10 -41.523931 0.064190 LBFGSLineSearch: 3 00:19:12 -41.524032 0.023421 LBFGSLineSearch: 4 00:19:15 -41.524104 0.042068 LBFGSLineSearch: 5 00:19:16 -41.524215 0.026638 LBFGSLineSearch: 6 00:19:18 -41.524355 0.023213 LBFGSLineSearch: 7 00:19:21 -41.524437 0.026352 LBFGSLineSearch: 8 00:19:26 -41.524517 0.019590 LBFGSLineSearch: 9 00:19:32 -41.524545 0.014036 LBFGSLineSearch: 10 00:19:38 -41.524562 0.009034 LBFGSLineSearch: 11 00:19:41 -41.524581 0.005210 LBFGSLineSearch: 12 00:19:44 -41.524584 0.004707 LBFGSLineSearch: 13 00:19:45 -41.524589 0.003021 LBFGSLineSearch: 14 00:19:47 -41.524590 0.004750 LBFGSLineSearch: 15 00:19:51 -41.524596 0.005006 LBFGSLineSearch: 16 00:19:56 -41.524599 0.004959 LBFGSLineSearch: 17 00:20:01 -41.524602 0.001065 LBFGSLineSearch: 18 00:20:08 -41.524603 0.000821 LBFGSLineSearch: 19 00:20:11 -41.524603 0.000473 LBFGSLineSearch: 20 00:20:14 -41.524603 0.000342 LBFGSLineSearch: 21 00:20:15 -41.524603 0.000361 LBFGSLineSearch: 22 00:20:17 -41.524603 0.000147 LBFGSLineSearch: 23 00:20:22 -41.524603 0.000147 LBFGSLineSearch: 24 00:20:30 -41.524603 0.000138 LBFGSLineSearch: 25 00:20:35 -41.524603 0.000013 LBFGSLineSearch: 26 00:20:37 -41.524603 0.000000 Minimization converged after 26 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:20:55 -40.760539 0.076406 LBFGSLineSearch: 1 00:20:56 -40.761121 0.089582 LBFGSLineSearch: 2 00:20:56 -40.761339 0.061665 LBFGSLineSearch: 3 00:20:57 -40.761454 0.025632 LBFGSLineSearch: 4 00:21:00 -40.761518 0.022631 LBFGSLineSearch: 5 00:21:03 -40.761609 0.040583 LBFGSLineSearch: 6 00:21:06 -40.761758 0.031218 LBFGSLineSearch: 7 00:21:12 -40.761943 0.020766 LBFGSLineSearch: 8 00:21:21 -40.762035 0.022884 LBFGSLineSearch: 9 00:21:28 -40.762099 0.011930 LBFGSLineSearch: 10 00:21:33 -40.762131 0.013374 LBFGSLineSearch: 11 00:21:33 -40.762151 0.014179 LBFGSLineSearch: 12 00:21:34 -40.762163 0.005458 LBFGSLineSearch: 13 00:21:35 -40.762167 0.007100 LBFGSLineSearch: 14 00:21:36 -40.762170 0.003157 LBFGSLineSearch: 15 00:21:38 -40.762172 0.004479 LBFGSLineSearch: 16 00:21:43 -40.762177 0.005458 LBFGSLineSearch: 17 00:21:49 -40.762179 0.004468 LBFGSLineSearch: 18 00:21:55 -40.762183 0.001386 LBFGSLineSearch: 19 00:22:00 -40.762184 0.001278 LBFGSLineSearch: 20 00:22:07 -40.762184 0.000689 LBFGSLineSearch: 21 00:22:12 -40.762184 0.000258 LBFGSLineSearch: 22 00:22:17 -40.762184 0.000075 LBFGSLineSearch: 23 00:22:19 -40.762184 0.000066 LBFGSLineSearch: 24 00:22:23 -40.762184 0.000020 LBFGSLineSearch: 25 00:22:29 -40.762184 0.000000 Minimization converged after 25 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:22:45 -39.908257 0.085393 LBFGSLineSearch: 1 00:22:50 -39.909036 0.093476 LBFGSLineSearch: 2 00:22:53 -39.909299 0.055702 LBFGSLineSearch: 3 00:22:54 -39.909474 0.029254 LBFGSLineSearch: 4 00:22:57 -39.909625 0.031226 LBFGSLineSearch: 5 00:23:01 -39.909756 0.039879 LBFGSLineSearch: 6 00:23:03 -39.909987 0.027754 LBFGSLineSearch: 7 00:23:06 -39.910147 0.027487 LBFGSLineSearch: 8 00:23:09 -39.910261 0.021065 LBFGSLineSearch: 9 00:23:12 -39.910307 0.021766 LBFGSLineSearch: 10 00:23:17 -39.910340 0.016827 LBFGSLineSearch: 11 00:23:20 -39.910364 0.006978 LBFGSLineSearch: 12 00:23:23 -39.910367 0.004994 LBFGSLineSearch: 13 00:23:28 -39.910371 0.005975 LBFGSLineSearch: 14 00:23:30 -39.910374 0.002727 LBFGSLineSearch: 15 00:23:33 -39.910377 0.004222 LBFGSLineSearch: 16 00:23:34 -39.910379 0.004239 LBFGSLineSearch: 17 00:23:40 -39.910384 0.002170 LBFGSLineSearch: 18 00:23:40 -39.910384 0.001662 LBFGSLineSearch: 19 00:23:42 -39.910385 0.000167 LBFGSLineSearch: 20 00:23:43 -39.910385 0.000109 LBFGSLineSearch: 21 00:23:45 -39.910385 0.000039 LBFGSLineSearch: 22 00:23:45 -39.910385 0.000072 LBFGSLineSearch: 23 00:23:46 -39.910385 0.000005 Minimization converged after 23 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:24:01 -38.956692 0.095370 LBFGSLineSearch: 1 00:24:02 -38.957733 0.091518 LBFGSLineSearch: 2 00:24:03 -38.958054 0.044079 LBFGSLineSearch: 3 00:24:04 -38.958268 0.038857 LBFGSLineSearch: 4 00:24:06 -38.958389 0.029216 LBFGSLineSearch: 5 00:24:07 -38.958679 0.043582 LBFGSLineSearch: 6 00:24:07 -38.958915 0.047377 LBFGSLineSearch: 7 00:24:07 -38.959133 0.038506 LBFGSLineSearch: 8 00:24:08 -38.959342 0.022577 LBFGSLineSearch: 9 00:24:08 -38.959405 0.013930 LBFGSLineSearch: 10 00:24:08 -38.959441 0.017271 LBFGSLineSearch: 11 00:24:09 -38.959500 0.010095 LBFGSLineSearch: 12 00:24:09 -38.959505 0.007225 LBFGSLineSearch: 13 00:24:09 -38.959510 0.007467 LBFGSLineSearch: 14 00:24:09 -38.959513 0.002231 LBFGSLineSearch: 15 00:24:10 -38.959514 0.002580 LBFGSLineSearch: 16 00:24:12 -38.959515 0.001859 LBFGSLineSearch: 17 00:24:13 -38.959516 0.001842 LBFGSLineSearch: 18 00:24:13 -38.959518 0.002186 LBFGSLineSearch: 19 00:24:14 -38.959518 0.002253 LBFGSLineSearch: 20 00:24:14 -38.959519 0.000803 LBFGSLineSearch: 21 00:24:16 -38.959519 0.000620 LBFGSLineSearch: 22 00:24:16 -38.959519 0.000295 LBFGSLineSearch: 23 00:24:16 -38.959519 0.000244 LBFGSLineSearch: 24 00:24:17 -38.959519 0.000240 LBFGSLineSearch: 25 00:24:17 -38.959519 0.000237 LBFGSLineSearch: 26 00:24:17 -38.959519 0.000166 LBFGSLineSearch: 27 00:24:18 -38.959519 0.000186 LBFGSLineSearch: 28 00:24:18 -38.959519 0.000106 LBFGSLineSearch: 29 00:24:18 -38.959519 0.000016 LBFGSLineSearch: 30 00:24:18 -38.959519 0.000000 Minimization converged after 30 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:24:30 -37.895485 0.106403 LBFGSLineSearch: 1 00:24:30 -37.896875 0.089549 LBFGSLineSearch: 2 00:24:33 -37.897310 0.040146 LBFGSLineSearch: 3 00:24:33 -37.897592 0.051459 LBFGSLineSearch: 4 00:24:33 -37.897808 0.038507 LBFGSLineSearch: 5 00:24:33 -37.909234 0.362243 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 5 steps. Final forces: [[-3.17686624e-01 -1.02940176e-18 1.77415840e-01] [ 3.17686624e-01 1.02940176e-18 -1.77415840e-01] [ 2.35831227e-02 -4.90453411e-19 1.44907130e-01] [-2.35831227e-02 4.90453411e-19 -1.44907130e-01] [ 8.00308266e-02 5.44087022e-19 -1.24103107e-01] [-8.00308266e-02 -5.44087022e-19 1.24103107e-01] [ 3.21591925e-01 1.17268936e-19 7.82894394e-02] [-3.21591925e-01 -1.17268936e-19 -7.82894394e-02] [ 3.70973820e-02 2.14135136e-19 -4.69103193e-02] [-3.70973820e-02 -2.14135136e-19 4.69103193e-02]] Final stress: [-9.16058746e-02 -1.15572390e-01 -8.19058750e-02 -1.01788895e-20 -1.75447913e-04 8.59367157e-20] Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:24:47 -36.733869 0.363870 LBFGSLineSearch: 1 00:24:47 -36.745270 0.365805 LBFGSLineSearch: 2 00:24:49 -36.765827 0.267316 LBFGSLineSearch: 3 00:24:49 -36.773095 0.180979 LBFGSLineSearch: 4 00:24:50 -36.776178 0.194927 LBFGSLineSearch: 5 00:24:50 -36.777807 0.193447 LBFGSLineSearch: 6 00:24:50 -36.781249 0.324998 LBFGSLineSearch: 7 00:24:51 -36.786146 0.212363 LBFGSLineSearch: 8 00:24:51 -36.795352 0.212141 LBFGSLineSearch: 9 00:24:52 -36.801378 0.186747 LBFGSLineSearch: 10 00:24:53 -36.804568 0.176684 LBFGSLineSearch: 11 00:24:53 -36.808819 0.271255 LBFGSLineSearch: 12 00:24:53 -36.811825 0.095526 LBFGSLineSearch: 13 00:24:53 -36.813742 0.081822 LBFGSLineSearch: 14 00:24:54 -36.814711 0.076061 LBFGSLineSearch: 15 00:24:54 -36.815689 0.066823 LBFGSLineSearch: 16 00:24:54 -36.822474 0.251053 LBFGSLineSearch: 17 00:24:55 -36.823132 0.271607 LBFGSLineSearch: 18 00:24:56 -36.829952 0.419640 LBFGSLineSearch: 19 00:24:56 -36.835889 0.128718 LBFGSLineSearch: 20 00:24:56 -36.838273 0.088505 LBFGSLineSearch: 21 00:24:56 -36.839465 0.075376 LBFGSLineSearch: 22 00:24:56 -36.840290 0.101325 LBFGSLineSearch: 23 00:24:57 -36.841140 0.067401 LBFGSLineSearch: 24 00:24:57 -36.841474 0.046647 LBFGSLineSearch: 25 00:24:57 -36.841728 0.040049 LBFGSLineSearch: 26 00:24:57 -36.842127 0.059122 LBFGSLineSearch: 27 00:24:59 -36.842880 0.034491 LBFGSLineSearch: 28 00:25:00 -36.842965 0.026501 LBFGSLineSearch: 29 00:25:01 -36.843009 0.020756 LBFGSLineSearch: 30 00:25:02 -36.843035 0.013975 LBFGSLineSearch: 31 00:25:03 -36.843049 0.008800 LBFGSLineSearch: 32 00:25:05 -36.843055 0.006372 LBFGSLineSearch: 33 00:25:07 -36.843059 0.007477 LBFGSLineSearch: 34 00:25:08 -36.843071 0.007852 LBFGSLineSearch: 35 00:25:09 -36.843084 0.009555 LBFGSLineSearch: 36 00:25:09 -36.843109 0.005526 LBFGSLineSearch: 37 00:25:09 -36.843115 0.001915 LBFGSLineSearch: 38 00:25:10 -36.843115 0.000823 LBFGSLineSearch: 39 00:25:10 -36.843115 0.000227 LBFGSLineSearch: 40 00:25:10 -36.843115 0.000022 LBFGSLineSearch: 41 00:25:11 -36.843115 0.000003 Minimization converged after 41 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:21 -35.541593 0.130152 LBFGSLineSearch: 1 00:25:22 -35.543255 0.236435 LBFGSLineSearch: 2 00:25:22 -35.543746 0.139016 LBFGSLineSearch: 3 00:25:23 -35.544018 0.041421 LBFGSLineSearch: 4 00:25:23 -35.544244 0.100580 LBFGSLineSearch: 5 00:25:24 -35.544589 0.048471 LBFGSLineSearch: 6 00:25:24 -35.544923 0.043894 LBFGSLineSearch: 7 00:25:24 -35.545020 0.013860 LBFGSLineSearch: 8 00:25:25 -35.545040 0.016024 LBFGSLineSearch: 9 00:25:26 -35.545094 0.015700 LBFGSLineSearch: 10 00:25:30 -35.545139 0.024699 LBFGSLineSearch: 11 00:25:32 -35.545255 0.015434 LBFGSLineSearch: 12 00:25:33 -35.545296 0.019271 LBFGSLineSearch: 13 00:25:34 -35.545331 0.007368 LBFGSLineSearch: 14 00:25:35 -35.545336 0.005679 LBFGSLineSearch: 15 00:25:36 -35.545337 0.002655 LBFGSLineSearch: 16 00:25:37 -35.545340 0.002713 LBFGSLineSearch: 17 00:25:37 -35.545341 0.003517 LBFGSLineSearch: 18 00:25:38 -35.545344 0.005068 LBFGSLineSearch: 19 00:25:38 -35.545348 0.003200 LBFGSLineSearch: 20 00:25:38 -35.545350 0.000711 LBFGSLineSearch: 21 00:25:38 -35.545350 0.001080 LBFGSLineSearch: 22 00:25:39 -35.545350 0.000095 LBFGSLineSearch: 23 00:25:39 -35.545350 0.000042 LBFGSLineSearch: 24 00:25:39 -35.545350 0.000006 Minimization converged after 24 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:57 -34.092784 0.145262 LBFGSLineSearch: 1 00:25:57 -34.095048 0.277977 LBFGSLineSearch: 2 00:25:58 -34.096001 0.098709 LBFGSLineSearch: 3 00:25:58 -34.096294 0.103802 LBFGSLineSearch: 4 00:25:59 -34.096476 0.051586 LBFGSLineSearch: 5 00:25:59 -34.096660 0.035809 LBFGSLineSearch: 6 00:25:59 -34.096983 0.031852 LBFGSLineSearch: 7 00:26:00 -34.097079 0.024308 LBFGSLineSearch: 8 00:26:00 -34.097119 0.012520 LBFGSLineSearch: 9 00:26:00 -34.097145 0.010524 LBFGSLineSearch: 10 00:26:01 -34.097170 0.014986 LBFGSLineSearch: 11 00:26:01 -34.097205 0.014875 LBFGSLineSearch: 12 00:26:02 -34.097236 0.012778 LBFGSLineSearch: 13 00:26:03 -34.097266 0.015006 LBFGSLineSearch: 14 00:26:04 -34.097320 0.010252 LBFGSLineSearch: 15 00:26:05 -34.097327 0.006040 LBFGSLineSearch: 16 00:26:06 -34.097331 0.006328 LBFGSLineSearch: 17 00:26:06 -34.097333 0.002949 LBFGSLineSearch: 18 00:26:07 -34.097335 0.001913 LBFGSLineSearch: 19 00:26:08 -34.097336 0.001889 LBFGSLineSearch: 20 00:26:09 -34.097337 0.002964 LBFGSLineSearch: 21 00:26:11 -34.097339 0.002767 LBFGSLineSearch: 22 00:26:11 -34.097340 0.002443 LBFGSLineSearch: 23 00:26:11 -34.097341 0.000527 LBFGSLineSearch: 24 00:26:11 -34.097341 0.000137 LBFGSLineSearch: 25 00:26:12 -34.097341 0.000142 LBFGSLineSearch: 26 00:26:12 -34.097341 0.000092 LBFGSLineSearch: 27 00:26:12 -34.097341 0.000007 Minimization converged after 27 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:26:23 -32.477194 0.162019 LBFGSLineSearch: 1 00:26:23 -32.480342 0.313506 LBFGSLineSearch: 2 00:26:23 -32.482642 0.097089 LBFGSLineSearch: 3 00:26:24 -32.485292 0.084529 LBFGSLineSearch: 4 00:26:24 -32.486469 0.139724 LBFGSLineSearch: 5 00:26:24 -32.494221 0.216000 LBFGSLineSearch: 6 00:26:24 -32.497207 0.195417 LBFGSLineSearch: 7 00:26:25 -32.498379 0.099554 LBFGSLineSearch: 8 00:26:25 -32.499208 0.137477 LBFGSLineSearch: 9 00:26:25 -32.500274 0.119630 LBFGSLineSearch: 10 00:26:25 -32.500864 0.063797 LBFGSLineSearch: 11 00:26:26 -32.501339 0.045594 LBFGSLineSearch: 12 00:26:26 -32.501686 0.050426 LBFGSLineSearch: 13 00:26:27 -32.502285 0.177947 LBFGSLineSearch: 14 00:26:28 -32.504413 0.140027 LBFGSLineSearch: 15 00:26:28 -32.505624 0.097992 LBFGSLineSearch: 16 00:26:29 -32.506243 0.100310 LBFGSLineSearch: 17 00:26:29 -32.508683 0.136706 LBFGSLineSearch: 18 00:26:30 -32.509635 0.082392 LBFGSLineSearch: 19 00:26:30 -32.510119 0.042243 LBFGSLineSearch: 20 00:26:30 -32.510444 0.036035 LBFGSLineSearch: 21 00:26:30 -32.510693 0.046126 LBFGSLineSearch: 22 00:26:31 -32.510857 0.023061 LBFGSLineSearch: 23 00:26:31 -32.510921 0.019154 LBFGSLineSearch: 24 00:26:32 -32.510953 0.013604 LBFGSLineSearch: 25 00:26:32 -32.510997 0.019380 LBFGSLineSearch: 26 00:26:33 -32.511090 0.032058 LBFGSLineSearch: 27 00:26:33 -32.511162 0.021947 LBFGSLineSearch: 28 00:26:34 -32.511217 0.022940 LBFGSLineSearch: 29 00:26:35 -32.511273 0.007213 LBFGSLineSearch: 30 00:26:37 -32.511278 0.005245 LBFGSLineSearch: 31 00:26:38 -32.511284 0.005541 LBFGSLineSearch: 32 00:26:40 -32.511298 0.013314 LBFGSLineSearch: 33 00:26:42 -32.511312 0.013848 LBFGSLineSearch: 34 00:26:46 -32.511328 0.014248 LBFGSLineSearch: 35 00:26:49 -32.511339 0.008488 LBFGSLineSearch: 36 00:26:51 -32.511345 0.005209 LBFGSLineSearch: 37 00:26:52 -32.511347 0.004432 LBFGSLineSearch: 38 00:26:52 -32.511348 0.001181 LBFGSLineSearch: 39 00:26:53 -32.511348 0.000512 LBFGSLineSearch: 40 00:26:54 -32.511348 0.000341 LBFGSLineSearch: 41 00:26:54 -32.511348 0.000138 LBFGSLineSearch: 42 00:26:55 -32.511348 0.000004 Minimization converged after 42 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:27:04 -30.718894 0.179246 LBFGSLineSearch: 1 00:27:05 -30.722522 0.285916 LBFGSLineSearch: 2 00:27:06 -30.723909 0.113071 LBFGSLineSearch: 3 00:27:07 -30.724163 0.053736 LBFGSLineSearch: 4 00:27:08 -30.724388 0.058616 LBFGSLineSearch: 5 00:27:09 -30.724656 0.056168 LBFGSLineSearch: 6 00:27:10 -30.725419 0.050267 LBFGSLineSearch: 7 00:27:11 -30.725644 0.039726 LBFGSLineSearch: 8 00:27:12 -30.725736 0.024657 LBFGSLineSearch: 9 00:27:14 -30.725801 0.025220 LBFGSLineSearch: 10 00:27:14 -30.725872 0.039617 LBFGSLineSearch: 11 00:27:15 -30.725919 0.018067 LBFGSLineSearch: 12 00:27:15 -30.725973 0.019743 LBFGSLineSearch: 13 00:27:15 -30.726010 0.013159 LBFGSLineSearch: 14 00:27:16 -30.726100 0.017521 LBFGSLineSearch: 15 00:27:16 -30.726125 0.010691 LBFGSLineSearch: 16 00:27:16 -30.726139 0.005459 LBFGSLineSearch: 17 00:27:17 -30.726144 0.004022 LBFGSLineSearch: 18 00:27:17 -30.726146 0.004757 LBFGSLineSearch: 19 00:27:18 -30.726150 0.004355 LBFGSLineSearch: 20 00:27:21 -30.726156 0.002297 LBFGSLineSearch: 21 00:27:25 -30.726158 0.002507 LBFGSLineSearch: 22 00:27:27 -30.726158 0.002323 LBFGSLineSearch: 23 00:27:27 -30.726160 0.000292 LBFGSLineSearch: 24 00:27:27 -30.726160 0.000250 LBFGSLineSearch: 25 00:27:27 -30.726160 0.000051 LBFGSLineSearch: 26 00:27:28 -30.726160 0.000000 Minimization converged after 26 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:27:39 -28.730355 0.199581 LBFGSLineSearch: 1 00:27:40 -28.735075 0.327975 LBFGSLineSearch: 2 00:27:40 -28.737599 0.083674 LBFGSLineSearch: 3 00:27:42 -28.738350 0.093133 LBFGSLineSearch: 4 00:27:42 -28.738545 0.022899 LBFGSLineSearch: 5 00:27:43 -28.738651 0.027219 LBFGSLineSearch: 6 00:27:44 -28.738789 0.048319 LBFGSLineSearch: 7 00:27:48 -28.738919 0.029626 LBFGSLineSearch: 8 00:27:52 -28.739109 0.033153 LBFGSLineSearch: 9 00:27:55 -28.739336 0.076811 LBFGSLineSearch: 10 00:27:58 -28.740318 0.119953 LBFGSLineSearch: 11 00:28:01 -28.741861 0.086443 LBFGSLineSearch: 12 00:28:04 -28.742758 0.063960 LBFGSLineSearch: 13 00:28:06 -28.742998 0.056183 LBFGSLineSearch: 14 00:28:09 -28.743507 0.062313 LBFGSLineSearch: 15 00:28:13 -28.743842 0.038860 LBFGSLineSearch: 16 00:28:17 -28.743976 0.036579 LBFGSLineSearch: 17 00:28:21 -28.744364 0.028775 LBFGSLineSearch: 18 00:28:22 -28.744742 0.044169 LBFGSLineSearch: 19 00:28:22 -28.745536 0.018894 LBFGSLineSearch: 20 00:28:22 -28.745653 0.025139 LBFGSLineSearch: 21 00:28:23 -28.745814 0.019068 LBFGSLineSearch: 22 00:28:23 -28.746065 0.052859 LBFGSLineSearch: 23 00:28:23 -28.746248 0.035875 LBFGSLineSearch: 24 00:28:23 -28.746621 0.031090 LBFGSLineSearch: 25 00:28:24 -28.746724 0.022018 LBFGSLineSearch: 26 00:28:24 -28.746785 0.012033 LBFGSLineSearch: 27 00:28:24 -28.746805 0.005685 LBFGSLineSearch: 28 00:28:24 -28.746810 0.003058 LBFGSLineSearch: 29 00:28:24 -28.746811 0.002463 LBFGSLineSearch: 30 00:28:24 -28.746812 0.001436 LBFGSLineSearch: 31 00:28:25 -28.746812 0.000461 LBFGSLineSearch: 32 00:28:25 -28.746812 0.000060 LBFGSLineSearch: 33 00:28:25 -28.746812 0.000006 Minimization converged after 33 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:28:39 -26.533152 0.221367 LBFGSLineSearch: 1 00:28:39 -26.539895 0.300906 LBFGSLineSearch: 2 00:28:40 -26.542902 0.121002 LBFGSLineSearch: 3 00:28:40 -26.543248 0.039139 LBFGSLineSearch: 4 00:28:41 -26.543380 0.024284 LBFGSLineSearch: 5 00:28:41 -26.543423 0.021634 LBFGSLineSearch: 6 00:28:41 -26.543462 0.024280 LBFGSLineSearch: 7 00:28:42 -26.543536 0.018975 LBFGSLineSearch: 8 00:28:42 -26.543603 0.013637 LBFGSLineSearch: 9 00:28:43 -26.543635 0.011563 LBFGSLineSearch: 10 00:28:47 -26.543655 0.010416 LBFGSLineSearch: 11 00:28:49 -26.543672 0.006159 LBFGSLineSearch: 12 00:28:50 -26.543678 0.004893 LBFGSLineSearch: 13 00:28:50 -26.543681 0.003854 LBFGSLineSearch: 14 00:28:50 -26.543685 0.003732 LBFGSLineSearch: 15 00:28:50 -26.543687 0.003583 LBFGSLineSearch: 16 00:28:51 -26.543689 0.004675 LBFGSLineSearch: 17 00:28:53 -26.543694 0.003404 LBFGSLineSearch: 18 00:28:56 -26.543696 0.002665 LBFGSLineSearch: 19 00:28:58 -26.543697 0.002209 LBFGSLineSearch: 20 00:28:59 -26.543699 0.006984 LBFGSLineSearch: 21 00:29:01 -26.543701 0.003346 LBFGSLineSearch: 22 00:29:01 -26.543710 0.003781 LBFGSLineSearch: 23 00:29:02 -26.543712 0.003488 LBFGSLineSearch: 24 00:29:03 -26.543714 0.000041 LBFGSLineSearch: 25 00:29:04 -26.543714 0.000003 Minimization converged after 25 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:19 -24.082460 0.246126 LBFGSLineSearch: 1 00:29:19 -24.090821 0.295125 LBFGSLineSearch: 2 00:29:20 -24.094238 0.077257 LBFGSLineSearch: 3 00:29:20 -24.094533 0.038238 LBFGSLineSearch: 4 00:29:21 -24.094683 0.024506 LBFGSLineSearch: 5 00:29:22 -24.094725 0.020642 LBFGSLineSearch: 6 00:29:24 -24.094810 0.023224 LBFGSLineSearch: 7 00:29:27 -24.094875 0.039626 LBFGSLineSearch: 8 00:29:27 -24.094939 0.017016 LBFGSLineSearch: 9 00:29:27 -24.094973 0.018385 LBFGSLineSearch: 10 00:29:28 -24.094989 0.005674 LBFGSLineSearch: 11 00:29:28 -24.094997 0.004468 LBFGSLineSearch: 12 00:29:28 -24.095001 0.003730 LBFGSLineSearch: 13 00:29:29 -24.095005 0.004972 LBFGSLineSearch: 14 00:29:29 -24.095008 0.004474 LBFGSLineSearch: 15 00:29:29 -24.095013 0.004359 LBFGSLineSearch: 16 00:29:29 -24.095016 0.003376 LBFGSLineSearch: 17 00:29:30 -24.095019 0.002310 LBFGSLineSearch: 18 00:29:30 -24.095020 0.002858 LBFGSLineSearch: 19 00:29:30 -24.095023 0.002719 LBFGSLineSearch: 20 00:29:31 -24.095031 0.006455 LBFGSLineSearch: 21 00:29:32 -24.095034 0.003740 LBFGSLineSearch: 22 00:29:33 -24.095036 0.003646 LBFGSLineSearch: 23 00:29:33 -24.095039 0.000173 LBFGSLineSearch: 24 00:29:34 -24.095039 0.000000 Minimization converged after 24 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:48 -21.360340 0.273470 LBFGSLineSearch: 1 00:29:48 -21.370506 0.254888 LBFGSLineSearch: 2 00:29:49 -21.373078 0.091647 LBFGSLineSearch: 3 00:29:49 -21.373631 0.037072 LBFGSLineSearch: 4 00:29:49 -21.373720 0.045877 LBFGSLineSearch: 5 00:29:50 -21.373842 0.020659 LBFGSLineSearch: 6 00:29:51 -21.373876 0.016387 LBFGSLineSearch: 7 00:29:52 -21.373923 0.020155 LBFGSLineSearch: 8 00:29:54 -21.373952 0.007911 LBFGSLineSearch: 9 00:29:55 -21.373968 0.010087 LBFGSLineSearch: 10 00:29:56 -21.373973 0.005762 LBFGSLineSearch: 11 00:29:57 -21.373976 0.002586 LBFGSLineSearch: 12 00:29:58 -21.373977 0.002010 LBFGSLineSearch: 13 00:29:58 -21.373977 0.001405 LBFGSLineSearch: 14 00:29:59 -21.373977 0.001403 LBFGSLineSearch: 15 00:30:00 -21.373978 0.000936 LBFGSLineSearch: 16 00:30:01 -21.373978 0.001095 LBFGSLineSearch: 17 00:30:02 -21.373978 0.001469 LBFGSLineSearch: 18 00:30:02 -21.373979 0.001598 LBFGSLineSearch: 19 00:30:03 -21.373979 0.000825 LBFGSLineSearch: 20 00:30:04 -21.373979 0.000859 LBFGSLineSearch: 21 00:30:05 -21.373979 0.000748 LBFGSLineSearch: 22 00:30:06 -21.373980 0.001753 LBFGSLineSearch: 23 00:30:06 -21.373981 0.000631 LBFGSLineSearch: 24 00:30:06 -21.373981 0.000013 LBFGSLineSearch: 25 00:30:06 -21.373981 0.000000 Minimization converged after 25 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:18 -18.334022 0.303996 LBFGSLineSearch: 1 00:30:18 -18.346051 0.252938 LBFGSLineSearch: 2 00:30:18 -18.349255 0.111048 LBFGSLineSearch: 3 00:30:18 -18.350666 0.092966 LBFGSLineSearch: 4 00:30:19 -18.351202 0.065119 LBFGSLineSearch: 5 00:30:19 -18.351628 0.055203 LBFGSLineSearch: 6 00:30:19 -18.352016 0.060030 LBFGSLineSearch: 7 00:30:19 -18.352523 0.045865 LBFGSLineSearch: 8 00:30:19 -18.353060 0.052180 LBFGSLineSearch: 9 00:30:19 -18.353594 0.052025 LBFGSLineSearch: 10 00:30:20 -18.353974 0.060387 LBFGSLineSearch: 11 00:30:20 -18.354294 0.025969 LBFGSLineSearch: 12 00:30:20 -18.354365 0.017599 LBFGSLineSearch: 13 00:30:21 -18.354381 0.015571 LBFGSLineSearch: 14 00:30:21 -18.354419 0.021893 LBFGSLineSearch: 15 00:30:21 -18.354480 0.023288 LBFGSLineSearch: 16 00:30:21 -18.354565 0.014847 LBFGSLineSearch: 17 00:30:21 -18.354602 0.015149 LBFGSLineSearch: 18 00:30:22 -18.354617 0.006444 LBFGSLineSearch: 19 00:30:22 -18.354622 0.005268 LBFGSLineSearch: 20 00:30:22 -18.354626 0.007492 LBFGSLineSearch: 21 00:30:22 -18.354632 0.003872 LBFGSLineSearch: 22 00:30:22 -18.354641 0.003185 LBFGSLineSearch: 23 00:30:23 -18.354642 0.001163 LBFGSLineSearch: 24 00:30:23 -18.354642 0.000818 LBFGSLineSearch: 25 00:30:23 -18.354642 0.000562 LBFGSLineSearch: 26 00:30:23 -18.354642 0.000343 LBFGSLineSearch: 27 00:30:23 -18.354642 0.000112 LBFGSLineSearch: 28 00:30:24 -18.354642 0.000009 Minimization converged after 28 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:33 -14.981588 0.337306 LBFGSLineSearch: 1 00:30:34 -14.996005 0.313631 LBFGSLineSearch: 2 00:30:34 -14.999809 0.055900 LBFGSLineSearch: 3 00:30:34 -15.000118 0.044441 LBFGSLineSearch: 4 00:30:34 -15.000401 0.040309 LBFGSLineSearch: 5 00:30:35 -15.000673 0.050401 LBFGSLineSearch: 6 00:30:35 -15.001041 0.036512 LBFGSLineSearch: 7 00:30:35 -15.001215 0.031347 LBFGSLineSearch: 8 00:30:36 -15.001528 0.039145 LBFGSLineSearch: 9 00:30:36 -15.001843 0.017906 LBFGSLineSearch: 10 00:30:37 -15.001903 0.019931 LBFGSLineSearch: 11 00:30:37 -15.001917 0.013205 LBFGSLineSearch: 12 00:30:37 -15.001931 0.015631 LBFGSLineSearch: 13 00:30:37 -15.001980 0.010939 LBFGSLineSearch: 14 00:30:38 -15.001997 0.008875 LBFGSLineSearch: 15 00:30:38 -15.002009 0.010015 LBFGSLineSearch: 16 00:30:38 -15.002025 0.005193 LBFGSLineSearch: 17 00:30:38 -15.002029 0.003030 LBFGSLineSearch: 18 00:30:39 -15.002030 0.002760 LBFGSLineSearch: 19 00:30:39 -15.002034 0.005629 LBFGSLineSearch: 20 00:30:39 -15.002036 0.003333 LBFGSLineSearch: 21 00:30:39 -15.002037 0.001908 LBFGSLineSearch: 22 00:30:40 -15.002038 0.001316 LBFGSLineSearch: 23 00:30:40 -15.002038 0.000592 LBFGSLineSearch: 24 00:30:40 -15.002038 0.000158 LBFGSLineSearch: 25 00:30:41 -15.002038 0.000075 LBFGSLineSearch: 26 00:30:41 -15.002038 0.000002 Minimization converged after 26 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:50 -11.262094 0.373994 LBFGSLineSearch: 1 00:30:51 -11.280415 0.284653 LBFGSLineSearch: 2 00:30:51 -11.284729 0.094242 LBFGSLineSearch: 3 00:30:51 -11.285199 0.041000 LBFGSLineSearch: 4 00:30:51 -11.285587 0.058851 LBFGSLineSearch: 5 00:30:51 -11.285884 0.061001 LBFGSLineSearch: 6 00:30:52 -11.286071 0.033512 LBFGSLineSearch: 7 00:30:52 -11.286243 0.024650 LBFGSLineSearch: 8 00:30:52 -11.286416 0.039751 LBFGSLineSearch: 9 00:30:52 -11.286628 0.020962 LBFGSLineSearch: 10 00:30:53 -11.286703 0.017531 LBFGSLineSearch: 11 00:30:53 -11.286745 0.009809 LBFGSLineSearch: 12 00:30:53 -11.286762 0.013718 LBFGSLineSearch: 13 00:30:54 -11.286771 0.007170 LBFGSLineSearch: 14 00:30:54 -11.286783 0.007032 LBFGSLineSearch: 15 00:30:55 -11.286799 0.013191 LBFGSLineSearch: 16 00:30:55 -11.286812 0.004999 LBFGSLineSearch: 17 00:30:56 -11.286817 0.003237 LBFGSLineSearch: 18 00:30:56 -11.286819 0.002758 LBFGSLineSearch: 19 00:30:58 -11.286820 0.003040 LBFGSLineSearch: 20 00:30:59 -11.286826 0.001759 LBFGSLineSearch: 21 00:31:00 -11.286827 0.001194 LBFGSLineSearch: 22 00:31:01 -11.286827 0.000708 LBFGSLineSearch: 23 00:31:01 -11.286827 0.000428 LBFGSLineSearch: 24 00:31:01 -11.286827 0.000096 LBFGSLineSearch: 25 00:31:01 -11.286827 0.000004 Minimization converged after 25 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:09 -7.143225 0.414360 LBFGSLineSearch: 1 00:31:09 -7.166021 0.217762 LBFGSLineSearch: 2 00:31:09 -7.169988 0.098045 LBFGSLineSearch: 3 00:31:09 -7.170459 0.039715 LBFGSLineSearch: 4 00:31:09 -7.170588 0.028714 LBFGSLineSearch: 5 00:31:10 -7.170699 0.028553 LBFGSLineSearch: 6 00:31:10 -7.170804 0.024421 LBFGSLineSearch: 7 00:31:10 -7.170873 0.038089 LBFGSLineSearch: 8 00:31:10 -7.170982 0.019256 LBFGSLineSearch: 9 00:31:10 -7.171045 0.017780 LBFGSLineSearch: 10 00:31:10 -7.171066 0.009252 LBFGSLineSearch: 11 00:31:11 -7.171077 0.005959 LBFGSLineSearch: 12 00:31:11 -7.171085 0.006867 LBFGSLineSearch: 13 00:31:11 -7.171094 0.004907 LBFGSLineSearch: 14 00:31:12 -7.171099 0.004221 LBFGSLineSearch: 15 00:31:13 -7.171108 0.006117 LBFGSLineSearch: 16 00:31:13 -7.171112 0.003125 LBFGSLineSearch: 17 00:31:13 -7.171113 0.001759 LBFGSLineSearch: 18 00:31:13 -7.171113 0.002185 LBFGSLineSearch: 19 00:31:14 -7.171116 0.002488 LBFGSLineSearch: 20 00:31:15 -7.171117 0.002891 LBFGSLineSearch: 21 00:31:16 -7.171119 0.000872 LBFGSLineSearch: 22 00:31:17 -7.171119 0.000596 LBFGSLineSearch: 23 00:31:19 -7.171119 0.000008 Minimization converged after 23 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:27 -2.582074 0.458905 LBFGSLineSearch: 1 00:31:27 -2.611287 0.159755 LBFGSLineSearch: 2 00:31:28 -2.616470 0.096178 LBFGSLineSearch: 3 00:31:28 -2.617095 0.045694 LBFGSLineSearch: 4 00:31:28 -2.617366 0.031456 LBFGSLineSearch: 5 00:31:29 -2.617534 0.035592 LBFGSLineSearch: 6 00:31:29 -2.617696 0.029809 LBFGSLineSearch: 7 00:31:29 -2.617882 0.038598 LBFGSLineSearch: 8 00:31:30 -2.618161 0.063523 LBFGSLineSearch: 9 00:31:30 -2.619103 0.043346 LBFGSLineSearch: 10 00:31:30 -2.619732 0.042003 LBFGSLineSearch: 11 00:31:30 -2.620075 0.045326 LBFGSLineSearch: 12 00:31:31 -2.620530 0.088242 LBFGSLineSearch: 13 00:31:32 -2.637996 0.266880 LBFGSLineSearch: 14 00:31:32 -2.638939 0.238209 LBFGSLineSearch: 15 00:31:32 -2.642315 0.211887 LBFGSLineSearch: 16 00:31:32 -2.645079 0.156969 LBFGSLineSearch: 17 00:31:33 -2.646817 0.120409 LBFGSLineSearch: 18 00:31:34 -2.649397 0.142600 LBFGSLineSearch: 19 00:31:34 -2.655800 0.166247 LBFGSLineSearch: 20 00:31:35 -2.659207 0.145483 LBFGSLineSearch: 21 00:31:35 -2.661301 0.085989 LBFGSLineSearch: 22 00:31:36 -2.662369 0.049071 LBFGSLineSearch: 23 00:31:36 -2.662751 0.034924 LBFGSLineSearch: 24 00:31:36 -2.662954 0.030329 LBFGSLineSearch: 25 00:31:37 -2.663110 0.021701 LBFGSLineSearch: 26 00:31:37 -2.663183 0.023941 LBFGSLineSearch: 27 00:31:38 -2.663413 0.016984 LBFGSLineSearch: 28 00:31:38 -2.663447 0.014935 LBFGSLineSearch: 29 00:31:38 -2.663474 0.011397 LBFGSLineSearch: 30 00:31:38 -2.663490 0.005962 LBFGSLineSearch: 31 00:31:39 -2.663496 0.002314 LBFGSLineSearch: 32 00:31:39 -2.663496 0.000341 LBFGSLineSearch: 33 00:31:40 -2.663496 0.000038 LBFGSLineSearch: 34 00:31:41 -2.663496 0.000003 Minimization converged after 34 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:47 2.380148 0.504365 LBFGSLineSearch: 1 00:31:48 2.344861 0.157918 LBFGSLineSearch: 2 00:31:48 2.340651 0.067135 LBFGSLineSearch: 3 00:31:48 2.340289 0.028569 LBFGSLineSearch: 4 00:31:49 2.340130 0.027710 LBFGSLineSearch: 5 00:31:49 2.340039 0.015054 LBFGSLineSearch: 6 00:31:49 2.339998 0.011940 LBFGSLineSearch: 7 00:31:49 2.339960 0.015379 LBFGSLineSearch: 8 00:31:49 2.339921 0.015049 LBFGSLineSearch: 9 00:31:50 2.339890 0.015055 LBFGSLineSearch: 10 00:31:50 2.339874 0.009873 LBFGSLineSearch: 11 00:31:50 2.339864 0.005915 LBFGSLineSearch: 12 00:31:51 2.339861 0.002619 LBFGSLineSearch: 13 00:31:51 2.339861 0.002187 LBFGSLineSearch: 14 00:31:51 2.339860 0.002211 LBFGSLineSearch: 15 00:31:51 2.339857 0.003585 LBFGSLineSearch: 16 00:31:51 2.339850 0.004084 LBFGSLineSearch: 17 00:31:52 2.339848 0.003324 LBFGSLineSearch: 18 00:31:52 2.339847 0.000998 LBFGSLineSearch: 19 00:31:52 2.339846 0.000638 LBFGSLineSearch: 20 00:31:53 2.339846 0.000267 LBFGSLineSearch: 21 00:31:53 2.339846 0.000000 Minimization converged after 21 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:03 7.911949 0.557210 LBFGSLineSearch: 1 00:32:03 7.870091 0.152790 LBFGSLineSearch: 2 00:32:03 7.865996 0.069022 LBFGSLineSearch: 3 00:32:04 7.865706 0.042885 LBFGSLineSearch: 4 00:32:04 7.865547 0.024649 LBFGSLineSearch: 5 00:32:05 7.865431 0.034876 LBFGSLineSearch: 6 00:32:06 7.865361 0.010547 LBFGSLineSearch: 7 00:32:07 7.865341 0.008152 LBFGSLineSearch: 8 00:32:07 7.865327 0.009277 LBFGSLineSearch: 9 00:32:08 7.865311 0.010303 LBFGSLineSearch: 10 00:32:08 7.865294 0.011499 LBFGSLineSearch: 11 00:32:09 7.865283 0.006028 LBFGSLineSearch: 12 00:32:09 7.865280 0.003591 LBFGSLineSearch: 13 00:32:09 7.865278 0.002350 LBFGSLineSearch: 14 00:32:09 7.865278 0.002186 LBFGSLineSearch: 15 00:32:09 7.865276 0.004048 LBFGSLineSearch: 16 00:32:09 7.865273 0.004817 LBFGSLineSearch: 17 00:32:10 7.865267 0.003027 LBFGSLineSearch: 18 00:32:10 7.865265 0.002941 LBFGSLineSearch: 19 00:32:12 7.865264 0.000897 LBFGSLineSearch: 20 00:32:14 7.865264 0.000524 LBFGSLineSearch: 21 00:32:14 7.865264 0.000472 LBFGSLineSearch: 22 00:32:15 7.865264 0.000365 LBFGSLineSearch: 23 00:32:15 7.865264 0.000050 LBFGSLineSearch: 24 00:32:15 7.865264 0.000008 Minimization converged after 24 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:24 14.016327 0.615108 LBFGSLineSearch: 1 00:32:25 13.966699 0.145891 LBFGSLineSearch: 2 00:32:25 13.962739 0.070272 LBFGSLineSearch: 3 00:32:26 13.962450 0.041377 LBFGSLineSearch: 4 00:32:26 13.962309 0.023950 LBFGSLineSearch: 5 00:32:26 13.962194 0.032743 LBFGSLineSearch: 6 00:32:27 13.962134 0.008592 LBFGSLineSearch: 7 00:32:27 13.962120 0.006709 LBFGSLineSearch: 8 00:32:27 13.962111 0.007552 LBFGSLineSearch: 9 00:32:27 13.962101 0.007754 LBFGSLineSearch: 10 00:32:27 13.962091 0.010508 LBFGSLineSearch: 11 00:32:27 13.962083 0.006328 LBFGSLineSearch: 12 00:32:27 13.962080 0.003302 LBFGSLineSearch: 13 00:32:27 13.962078 0.002290 LBFGSLineSearch: 14 00:32:27 13.962078 0.002467 LBFGSLineSearch: 15 00:32:27 13.962077 0.002462 LBFGSLineSearch: 16 00:32:27 13.962075 0.004739 LBFGSLineSearch: 17 00:32:27 13.962072 0.004831 LBFGSLineSearch: 18 00:32:27 13.962067 0.002390 LBFGSLineSearch: 19 00:32:28 13.962067 0.001489 LBFGSLineSearch: 20 00:32:28 13.962066 0.000919 LBFGSLineSearch: 21 00:32:28 13.962065 0.000193 LBFGSLineSearch: 22 00:32:28 13.962065 0.000003 Minimization converged after 22 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:36 20.746246 0.678419 LBFGSLineSearch: 1 00:32:37 20.687707 0.165002 LBFGSLineSearch: 2 00:32:38 20.684086 0.070714 LBFGSLineSearch: 3 00:32:38 20.683812 0.039543 LBFGSLineSearch: 4 00:32:38 20.683681 0.023672 LBFGSLineSearch: 5 00:32:39 20.683586 0.026496 LBFGSLineSearch: 6 00:32:39 20.683531 0.014583 LBFGSLineSearch: 7 00:32:39 20.683515 0.008194 LBFGSLineSearch: 8 00:32:40 20.683508 0.007184 LBFGSLineSearch: 9 00:32:40 20.683502 0.006449 LBFGSLineSearch: 10 00:32:41 20.683494 0.006320 LBFGSLineSearch: 11 00:32:41 20.683483 0.005459 LBFGSLineSearch: 12 00:32:41 20.683477 0.005824 LBFGSLineSearch: 13 00:32:41 20.683472 0.003764 LBFGSLineSearch: 14 00:32:41 20.683470 0.002001 LBFGSLineSearch: 15 00:32:42 20.683470 0.001815 LBFGSLineSearch: 16 00:32:42 20.683469 0.001668 LBFGSLineSearch: 17 00:32:42 20.683468 0.003217 LBFGSLineSearch: 18 00:32:44 20.683466 0.002653 LBFGSLineSearch: 19 00:32:45 20.683464 0.003136 LBFGSLineSearch: 20 00:32:45 20.683463 0.001448 LBFGSLineSearch: 21 00:32:45 20.683462 0.001163 LBFGSLineSearch: 22 00:32:45 20.683462 0.001117 LBFGSLineSearch: 23 00:32:46 20.683462 0.000344 LBFGSLineSearch: 24 00:32:46 20.683462 0.000001 Minimization converged after 24 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:52 28.159561 0.747610 LBFGSLineSearch: 1 00:32:53 28.091373 0.184741 LBFGSLineSearch: 2 00:32:53 28.088463 0.087210 LBFGSLineSearch: 3 00:32:54 28.087963 0.044341 LBFGSLineSearch: 4 00:32:54 28.087742 0.031675 LBFGSLineSearch: 5 00:32:55 28.087605 0.024253 LBFGSLineSearch: 6 00:32:55 28.087559 0.009626 LBFGSLineSearch: 7 00:32:56 28.087549 0.007330 LBFGSLineSearch: 8 00:32:57 28.087541 0.007183 LBFGSLineSearch: 9 00:32:57 28.087533 0.005524 LBFGSLineSearch: 10 00:32:58 28.087530 0.005143 LBFGSLineSearch: 11 00:32:59 28.087524 0.003587 LBFGSLineSearch: 12 00:32:59 28.087521 0.003133 LBFGSLineSearch: 13 00:32:59 28.087520 0.001422 LBFGSLineSearch: 14 00:33:00 28.087520 0.001249 LBFGSLineSearch: 15 00:33:00 28.087520 0.001248 LBFGSLineSearch: 16 00:33:00 28.087519 0.001586 LBFGSLineSearch: 17 00:33:01 28.087519 0.001302 LBFGSLineSearch: 18 00:33:01 28.087519 0.000568 LBFGSLineSearch: 19 00:33:01 28.087519 0.000591 LBFGSLineSearch: 20 00:33:01 28.087519 0.000571 LBFGSLineSearch: 21 00:33:02 28.087518 0.001407 LBFGSLineSearch: 22 00:33:02 28.087518 0.000945 LBFGSLineSearch: 23 00:33:02 28.087518 0.000035 LBFGSLineSearch: 24 00:33:02 28.087518 0.000000 Minimization converged after 24 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:12 36.320736 0.823322 LBFGSLineSearch: 1 00:33:12 36.243556 0.206054 LBFGSLineSearch: 2 00:33:12 36.240888 0.090873 LBFGSLineSearch: 3 00:33:13 36.240291 0.054771 LBFGSLineSearch: 4 00:33:13 36.239908 0.045277 LBFGSLineSearch: 5 00:33:13 36.239651 0.031761 LBFGSLineSearch: 6 00:33:14 36.239576 0.016658 LBFGSLineSearch: 7 00:33:14 36.239547 0.015450 LBFGSLineSearch: 8 00:33:14 36.239517 0.017315 LBFGSLineSearch: 9 00:33:15 36.239466 0.011356 LBFGSLineSearch: 10 00:33:16 36.239444 0.009312 LBFGSLineSearch: 11 00:33:16 36.239430 0.004650 LBFGSLineSearch: 12 00:33:17 36.239427 0.004125 LBFGSLineSearch: 13 00:33:17 36.239423 0.003525 LBFGSLineSearch: 14 00:33:17 36.239421 0.004690 LBFGSLineSearch: 15 00:33:18 36.239415 0.007507 LBFGSLineSearch: 16 00:33:18 36.239403 0.011228 LBFGSLineSearch: 17 00:33:18 36.239392 0.002150 LBFGSLineSearch: 18 00:33:19 36.239392 0.001346 LBFGSLineSearch: 19 00:33:19 36.239391 0.001091 LBFGSLineSearch: 20 00:33:20 36.239391 0.002538 LBFGSLineSearch: 21 00:33:20 36.239390 0.001044 LBFGSLineSearch: 22 00:33:21 36.239390 0.000061 LBFGSLineSearch: 23 00:33:22 36.239390 0.000001 Minimization converged after 23 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:30 45.300672 0.906127 LBFGSLineSearch: 1 00:33:31 45.208445 0.230451 LBFGSLineSearch: 2 00:33:31 45.206092 0.069973 LBFGSLineSearch: 3 00:33:31 45.205885 0.033624 LBFGSLineSearch: 4 00:33:32 45.205723 0.038588 LBFGSLineSearch: 5 00:33:33 45.205622 0.013790 LBFGSLineSearch: 6 00:33:33 45.205601 0.010811 LBFGSLineSearch: 7 00:33:35 45.205582 0.016309 LBFGSLineSearch: 8 00:33:36 45.205553 0.015347 LBFGSLineSearch: 9 00:33:37 45.205531 0.016650 LBFGSLineSearch: 10 00:33:38 45.205510 0.009811 LBFGSLineSearch: 11 00:33:39 45.205504 0.006378 LBFGSLineSearch: 12 00:33:39 45.205499 0.004806 LBFGSLineSearch: 13 00:33:41 45.205496 0.007567 LBFGSLineSearch: 14 00:33:42 45.205482 0.006023 LBFGSLineSearch: 15 00:33:42 45.205472 0.007472 LBFGSLineSearch: 16 00:33:43 45.205457 0.001068 LBFGSLineSearch: 17 00:33:43 45.205457 0.000831 LBFGSLineSearch: 18 00:33:43 45.205457 0.000792 LBFGSLineSearch: 19 00:33:44 45.205457 0.000508 LBFGSLineSearch: 20 00:33:44 45.205457 0.000170 LBFGSLineSearch: 21 00:33:44 45.205457 0.000000 Minimization converged after 21 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:51 55.164901 0.995944 LBFGSLineSearch: 1 00:33:52 55.059684 0.260683 LBFGSLineSearch: 2 00:33:53 55.057138 0.069455 LBFGSLineSearch: 3 00:33:53 55.056864 0.045040 LBFGSLineSearch: 4 00:33:53 55.056633 0.041407 LBFGSLineSearch: 5 00:33:54 55.056454 0.036915 LBFGSLineSearch: 6 00:33:54 55.056299 0.030845 LBFGSLineSearch: 7 00:33:55 55.056181 0.025706 LBFGSLineSearch: 8 00:33:55 55.056045 0.049197 LBFGSLineSearch: 9 00:33:56 55.055859 0.016822 LBFGSLineSearch: 10 00:33:57 55.055813 0.012320 LBFGSLineSearch: 11 00:33:57 55.055794 0.006336 LBFGSLineSearch: 12 00:33:58 55.055789 0.006972 LBFGSLineSearch: 13 00:33:59 55.055780 0.007384 LBFGSLineSearch: 14 00:34:00 55.055771 0.008058 LBFGSLineSearch: 15 00:34:01 55.055762 0.008703 LBFGSLineSearch: 16 00:34:01 55.055751 0.004960 LBFGSLineSearch: 17 00:34:01 55.055749 0.004283 LBFGSLineSearch: 18 00:34:02 55.055748 0.005099 LBFGSLineSearch: 19 00:34:02 55.055745 0.006552 LBFGSLineSearch: 20 00:34:03 55.055729 0.002373 LBFGSLineSearch: 21 00:34:04 55.055728 0.000852 LBFGSLineSearch: 22 00:34:04 55.055728 0.000257 LBFGSLineSearch: 23 00:34:04 55.055728 0.000010 LBFGSLineSearch: 24 00:34:04 55.055728 0.000000 Minimization converged after 24 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:13 65.994957 1.093923 LBFGSLineSearch: 1 00:34:14 65.874363 0.277059 LBFGSLineSearch: 2 00:34:14 65.871943 0.063012 LBFGSLineSearch: 3 00:34:15 65.871712 0.048849 LBFGSLineSearch: 4 00:34:16 65.871537 0.021489 LBFGSLineSearch: 5 00:34:16 65.871509 0.012908 LBFGSLineSearch: 6 00:34:16 65.871494 0.011462 LBFGSLineSearch: 7 00:34:17 65.871471 0.011845 LBFGSLineSearch: 8 00:34:17 65.871440 0.013352 LBFGSLineSearch: 9 00:34:18 65.871415 0.012876 LBFGSLineSearch: 10 00:34:19 65.871406 0.006701 LBFGSLineSearch: 11 00:34:19 65.871400 0.003884 LBFGSLineSearch: 12 00:34:20 65.871398 0.005803 LBFGSLineSearch: 13 00:34:20 65.871386 0.006796 LBFGSLineSearch: 14 00:34:21 65.871374 0.003969 LBFGSLineSearch: 15 00:34:21 65.871372 0.002707 LBFGSLineSearch: 16 00:34:21 65.871372 0.002806 LBFGSLineSearch: 17 00:34:22 65.871371 0.002446 LBFGSLineSearch: 18 00:34:22 65.871369 0.001167 LBFGSLineSearch: 19 00:34:22 65.871369 0.000146 LBFGSLineSearch: 20 00:34:23 65.871369 0.000020 LBFGSLineSearch: 21 00:34:23 65.871369 0.000000 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:32 77.876804 1.200544 LBFGSLineSearch: 1 00:34:32 77.738621 0.294906 LBFGSLineSearch: 2 00:34:32 77.735994 0.054743 LBFGSLineSearch: 3 00:34:32 77.735765 0.051539 LBFGSLineSearch: 4 00:34:32 77.735601 0.024478 LBFGSLineSearch: 5 00:34:32 77.735572 0.010995 LBFGSLineSearch: 6 00:34:32 77.735562 0.010731 LBFGSLineSearch: 7 00:34:33 77.735551 0.009666 LBFGSLineSearch: 8 00:34:33 77.735524 0.009349 LBFGSLineSearch: 9 00:34:33 77.735496 0.023792 LBFGSLineSearch: 10 00:34:33 77.735444 0.014460 LBFGSLineSearch: 11 00:34:33 77.735422 0.010008 LBFGSLineSearch: 12 00:34:33 77.735408 0.008435 LBFGSLineSearch: 13 00:34:33 77.735396 0.010293 LBFGSLineSearch: 14 00:34:33 77.735381 0.005782 LBFGSLineSearch: 15 00:34:33 77.735377 0.002340 LBFGSLineSearch: 16 00:34:33 77.735377 0.001509 LBFGSLineSearch: 17 00:34:33 77.735377 0.001370 LBFGSLineSearch: 18 00:34:34 77.735376 0.001554 LBFGSLineSearch: 19 00:34:34 77.735376 0.000537 LBFGSLineSearch: 20 00:34:34 77.735376 0.000075 LBFGSLineSearch: 21 00:34:34 77.735376 0.000004 Minimization converged after 21 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:43 90.899294 1.316391 LBFGSLineSearch: 1 00:34:46 90.743239 0.309449 LBFGSLineSearch: 2 00:34:46 90.740563 0.054314 LBFGSLineSearch: 3 00:34:47 90.740347 0.038240 LBFGSLineSearch: 4 00:34:47 90.740136 0.036645 LBFGSLineSearch: 5 00:34:47 90.740061 0.019236 LBFGSLineSearch: 6 00:34:48 90.740046 0.013459 LBFGSLineSearch: 7 00:34:48 90.740033 0.016583 LBFGSLineSearch: 8 00:34:49 90.739996 0.011360 LBFGSLineSearch: 9 00:34:50 90.739965 0.020130 LBFGSLineSearch: 10 00:34:50 90.739929 0.010394 LBFGSLineSearch: 11 00:34:50 90.739916 0.008595 LBFGSLineSearch: 12 00:34:50 90.739908 0.008119 LBFGSLineSearch: 13 00:34:50 90.739900 0.007470 LBFGSLineSearch: 14 00:34:52 90.739876 0.012111 LBFGSLineSearch: 15 00:34:52 90.739856 0.004892 LBFGSLineSearch: 16 00:34:52 90.739854 0.001097 LBFGSLineSearch: 17 00:34:52 90.739854 0.000829 LBFGSLineSearch: 18 00:34:53 90.739854 0.000774 LBFGSLineSearch: 19 00:34:53 90.739854 0.000973 LBFGSLineSearch: 20 00:34:53 90.739854 0.000041 LBFGSLineSearch: 21 00:34:54 90.739854 0.000001 Minimization converged after 21 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:03 105.164340 1.442449 LBFGSLineSearch: 1 00:35:05 104.987940 0.326879 LBFGSLineSearch: 2 00:35:05 104.985229 0.074968 LBFGSLineSearch: 3 00:35:05 104.984950 0.038731 LBFGSLineSearch: 4 00:35:06 104.984768 0.035912 LBFGSLineSearch: 5 00:35:06 104.984666 0.018811 LBFGSLineSearch: 6 00:35:06 104.984649 0.014174 LBFGSLineSearch: 7 00:35:07 104.984636 0.015197 LBFGSLineSearch: 8 00:35:07 104.984594 0.013813 LBFGSLineSearch: 9 00:35:07 104.984571 0.011936 LBFGSLineSearch: 10 00:35:08 104.984551 0.010870 LBFGSLineSearch: 11 00:35:08 104.984537 0.009494 LBFGSLineSearch: 12 00:35:08 104.984531 0.006100 LBFGSLineSearch: 13 00:35:09 104.984525 0.007149 LBFGSLineSearch: 14 00:35:10 104.984517 0.006254 LBFGSLineSearch: 15 00:35:10 104.984505 0.006959 LBFGSLineSearch: 16 00:35:10 104.984486 0.010316 LBFGSLineSearch: 17 00:35:10 104.984479 0.004981 LBFGSLineSearch: 18 00:35:11 104.984477 0.000715 LBFGSLineSearch: 19 00:35:12 104.984477 0.000626 LBFGSLineSearch: 20 00:35:12 104.984477 0.000539 LBFGSLineSearch: 21 00:35:13 104.984477 0.000476 LBFGSLineSearch: 22 00:35:13 104.984477 0.000179 LBFGSLineSearch: 23 00:35:13 104.984477 0.000007 Minimization converged after 23 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:21 120.778840 1.579437 LBFGSLineSearch: 1 00:35:21 120.579373 0.346732 LBFGSLineSearch: 2 00:35:22 120.576604 0.108640 LBFGSLineSearch: 3 00:35:22 120.576210 0.042788 LBFGSLineSearch: 4 00:35:22 120.576045 0.035113 LBFGSLineSearch: 5 00:35:22 120.575922 0.021471 LBFGSLineSearch: 6 00:35:23 120.575903 0.015547 LBFGSLineSearch: 7 00:35:23 120.575887 0.015835 LBFGSLineSearch: 8 00:35:23 120.575828 0.012829 LBFGSLineSearch: 9 00:35:24 120.575796 0.011720 LBFGSLineSearch: 10 00:35:24 120.575772 0.014304 LBFGSLineSearch: 11 00:35:24 120.575759 0.007208 LBFGSLineSearch: 12 00:35:25 120.575747 0.008084 LBFGSLineSearch: 13 00:35:25 120.575740 0.011402 LBFGSLineSearch: 14 00:35:26 120.575715 0.010608 LBFGSLineSearch: 15 00:35:26 120.575698 0.009186 LBFGSLineSearch: 16 00:35:26 120.575694 0.002735 LBFGSLineSearch: 17 00:35:27 120.575694 0.000368 LBFGSLineSearch: 18 00:35:27 120.575694 0.000358 LBFGSLineSearch: 19 00:35:28 120.575694 0.000305 LBFGSLineSearch: 20 00:35:28 120.575694 0.000317 LBFGSLineSearch: 21 00:35:30 120.575694 0.000041 LBFGSLineSearch: 22 00:35:34 120.575694 0.000003 Minimization converged after 22 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:42 137.856471 1.728078 LBFGSLineSearch: 1 00:35:43 137.631406 0.368099 LBFGSLineSearch: 2 00:35:43 137.628643 0.148877 LBFGSLineSearch: 3 00:35:43 137.628066 0.047974 LBFGSLineSearch: 4 00:35:44 137.627911 0.034544 LBFGSLineSearch: 5 00:35:44 137.627776 0.023243 LBFGSLineSearch: 6 00:35:44 137.627753 0.017022 LBFGSLineSearch: 7 00:35:45 137.627734 0.016870 LBFGSLineSearch: 8 00:35:46 137.627652 0.020778 LBFGSLineSearch: 9 00:35:46 137.627611 0.012613 LBFGSLineSearch: 10 00:35:48 137.627590 0.014192 LBFGSLineSearch: 11 00:35:49 137.627578 0.008849 LBFGSLineSearch: 12 00:35:50 137.627562 0.009214 LBFGSLineSearch: 13 00:35:50 137.627550 0.014087 LBFGSLineSearch: 14 00:35:50 137.627515 0.007049 LBFGSLineSearch: 15 00:35:51 137.627503 0.002745 LBFGSLineSearch: 16 00:35:51 137.627503 0.000618 LBFGSLineSearch: 17 00:35:52 137.627503 0.000145 LBFGSLineSearch: 18 00:35:52 137.627503 0.000127 LBFGSLineSearch: 19 00:35:52 137.627503 0.000114 LBFGSLineSearch: 20 00:35:52 137.627503 0.000033 LBFGSLineSearch: 21 00:35:52 137.627503 0.000004 Minimization converged after 21 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:00 156.519987 1.889249 LBFGSLineSearch: 1 00:36:01 156.266571 0.390996 LBFGSLineSearch: 2 00:36:01 156.263904 0.196590 LBFGSLineSearch: 3 00:36:01 156.263050 0.054162 LBFGSLineSearch: 4 00:36:02 156.262900 0.035499 LBFGSLineSearch: 5 00:36:02 156.262764 0.021235 LBFGSLineSearch: 6 00:36:03 156.262733 0.018627 LBFGSLineSearch: 7 00:36:03 156.262710 0.022091 LBFGSLineSearch: 8 00:36:04 156.262589 0.019272 LBFGSLineSearch: 9 00:36:05 156.262550 0.011369 LBFGSLineSearch: 10 00:36:06 156.262534 0.011396 LBFGSLineSearch: 11 00:36:06 156.262521 0.010348 LBFGSLineSearch: 12 00:36:07 156.262496 0.009827 LBFGSLineSearch: 13 00:36:07 156.262481 0.012533 LBFGSLineSearch: 14 00:36:08 156.262459 0.016523 LBFGSLineSearch: 15 00:36:08 156.262438 0.001066 LBFGSLineSearch: 16 00:36:09 156.262438 0.000473 LBFGSLineSearch: 17 00:36:09 156.262438 0.000061 LBFGSLineSearch: 18 00:36:11 156.262438 0.000024 LBFGSLineSearch: 19 00:36:11 156.262438 0.000024 LBFGSLineSearch: 20 00:36:12 156.262438 0.000010 Minimization converged after 20 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:20 176.901187 2.063876 LBFGSLineSearch: 1 00:36:21 176.616387 0.415666 LBFGSLineSearch: 2 00:36:21 176.612939 0.077017 LBFGSLineSearch: 3 00:36:22 176.612670 0.061931 LBFGSLineSearch: 4 00:36:23 176.612426 0.037194 LBFGSLineSearch: 5 00:36:23 176.612359 0.022579 LBFGSLineSearch: 6 00:36:23 176.612343 0.019756 LBFGSLineSearch: 7 00:36:23 176.612290 0.040822 LBFGSLineSearch: 8 00:36:23 176.612118 0.012382 LBFGSLineSearch: 9 00:36:24 176.612103 0.013482 LBFGSLineSearch: 10 00:36:24 176.612088 0.012175 LBFGSLineSearch: 11 00:36:24 176.612057 0.012765 LBFGSLineSearch: 12 00:36:25 176.612026 0.017525 LBFGSLineSearch: 13 00:36:25 176.611994 0.009815 LBFGSLineSearch: 14 00:36:25 176.611988 0.002866 LBFGSLineSearch: 15 00:36:26 176.611987 0.000986 LBFGSLineSearch: 16 00:36:26 176.611987 0.000451 LBFGSLineSearch: 17 00:36:26 176.611987 0.000134 LBFGSLineSearch: 18 00:36:27 176.611987 0.000114 LBFGSLineSearch: 19 00:36:27 176.611987 0.000039 LBFGSLineSearch: 20 00:36:28 176.611987 0.000004 Minimization converged after 20 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:41 199.141311 2.252933 LBFGSLineSearch: 1 00:36:41 198.821831 0.442231 LBFGSLineSearch: 2 00:36:42 198.818182 0.079852 LBFGSLineSearch: 3 00:36:42 198.817903 0.071083 LBFGSLineSearch: 4 00:36:43 198.817651 0.038872 LBFGSLineSearch: 5 00:36:43 198.817584 0.025531 LBFGSLineSearch: 6 00:36:43 198.817563 0.021954 LBFGSLineSearch: 7 00:36:43 198.817498 0.045766 LBFGSLineSearch: 8 00:36:43 198.817282 0.016637 LBFGSLineSearch: 9 00:36:44 198.817268 0.014475 LBFGSLineSearch: 10 00:36:44 198.817230 0.017475 LBFGSLineSearch: 11 00:36:44 198.817168 0.025830 LBFGSLineSearch: 12 00:36:44 198.817136 0.008666 LBFGSLineSearch: 13 00:36:45 198.817130 0.002945 LBFGSLineSearch: 14 00:36:45 198.817129 0.000630 LBFGSLineSearch: 15 00:36:45 198.817129 0.000340 LBFGSLineSearch: 16 00:36:45 198.817129 0.000323 LBFGSLineSearch: 17 00:36:45 198.817129 0.000371 LBFGSLineSearch: 18 00:36:46 198.817129 0.000199 LBFGSLineSearch: 19 00:36:46 198.817129 0.000018 LBFGSLineSearch: 20 00:36:46 198.817129 0.000001 Minimization converged after 20 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:56 223.391703 2.457458 LBFGSLineSearch: 1 00:36:58 223.033944 0.470910 LBFGSLineSearch: 2 00:36:59 223.030085 0.085094 LBFGSLineSearch: 3 00:36:59 223.029800 0.082432 LBFGSLineSearch: 4 00:37:00 223.029538 0.040756 LBFGSLineSearch: 5 00:37:01 223.029473 0.028017 LBFGSLineSearch: 6 00:37:01 223.029447 0.023485 LBFGSLineSearch: 7 00:37:02 223.029380 0.045994 LBFGSLineSearch: 8 00:37:03 223.029162 0.032970 LBFGSLineSearch: 9 00:37:03 223.029122 0.017100 LBFGSLineSearch: 10 00:37:03 223.029102 0.012827 LBFGSLineSearch: 11 00:37:03 223.029064 0.023478 LBFGSLineSearch: 12 00:37:04 223.028982 0.010430 LBFGSLineSearch: 13 00:37:04 223.028975 0.006249 LBFGSLineSearch: 14 00:37:04 223.028972 0.002291 LBFGSLineSearch: 15 00:37:04 223.028972 0.000552 LBFGSLineSearch: 16 00:37:04 223.028972 0.000534 LBFGSLineSearch: 17 00:37:05 223.028972 0.000292 LBFGSLineSearch: 18 00:37:05 223.028972 0.000036 LBFGSLineSearch: 19 00:37:05 223.028972 0.000000 Minimization converged after 19 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:13 249.814965 2.678599 LBFGSLineSearch: 1 00:37:14 249.414947 0.502095 LBFGSLineSearch: 2 00:37:15 249.410832 0.094391 LBFGSLineSearch: 3 00:37:15 249.410536 0.094933 LBFGSLineSearch: 4 00:37:16 249.410250 0.046111 LBFGSLineSearch: 5 00:37:16 249.410181 0.033735 LBFGSLineSearch: 6 00:37:16 249.410141 0.028591 LBFGSLineSearch: 7 00:37:16 249.410053 0.051014 LBFGSLineSearch: 8 00:37:17 249.409780 0.057909 LBFGSLineSearch: 9 00:37:18 249.409679 0.020963 LBFGSLineSearch: 10 00:37:18 249.409652 0.018925 LBFGSLineSearch: 11 00:37:19 249.409617 0.022861 LBFGSLineSearch: 12 00:37:19 249.409528 0.023692 LBFGSLineSearch: 13 00:37:19 249.409483 0.022734 LBFGSLineSearch: 14 00:37:19 249.409452 0.002782 LBFGSLineSearch: 15 00:37:19 249.409452 0.001009 LBFGSLineSearch: 16 00:37:20 249.409451 0.000876 LBFGSLineSearch: 17 00:37:20 249.409451 0.000938 LBFGSLineSearch: 18 00:37:20 249.409451 0.000184 LBFGSLineSearch: 19 00:37:20 249.409451 0.000029 LBFGSLineSearch: 20 00:37:20 249.409451 0.000000 Minimization converged after 20 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:28 278.583133 2.917368 LBFGSLineSearch: 1 00:37:28 278.136589 0.535444 LBFGSLineSearch: 2 00:37:29 278.132200 0.106210 LBFGSLineSearch: 3 00:37:29 278.131894 0.109783 LBFGSLineSearch: 4 00:37:29 278.131578 0.052593 LBFGSLineSearch: 5 00:37:29 278.131508 0.040852 LBFGSLineSearch: 6 00:37:29 278.131451 0.033002 LBFGSLineSearch: 7 00:37:29 278.131348 0.052669 LBFGSLineSearch: 8 00:37:29 278.131057 0.078498 LBFGSLineSearch: 9 00:37:29 278.130880 0.021881 LBFGSLineSearch: 10 00:37:29 278.130837 0.023583 LBFGSLineSearch: 11 00:37:30 278.130801 0.021437 LBFGSLineSearch: 12 00:37:30 278.130727 0.029013 LBFGSLineSearch: 13 00:37:30 278.130645 0.034168 LBFGSLineSearch: 14 00:37:30 278.130578 0.031598 LBFGSLineSearch: 15 00:37:30 278.130561 0.012983 LBFGSLineSearch: 16 00:37:30 278.130557 0.001535 LBFGSLineSearch: 17 00:37:30 278.130557 0.001221 LBFGSLineSearch: 18 00:37:30 278.130557 0.001492 LBFGSLineSearch: 19 00:37:30 278.130557 0.000474 LBFGSLineSearch: 20 00:37:30 278.130557 0.000002 Minimization converged after 20 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:42 309.881288 3.175073 LBFGSLineSearch: 1 00:37:42 309.383721 0.571228 LBFGSLineSearch: 2 00:37:43 309.379036 0.120784 LBFGSLineSearch: 3 00:37:43 309.378717 0.127179 LBFGSLineSearch: 4 00:37:43 309.378362 0.061959 LBFGSLineSearch: 5 00:37:43 309.378271 0.047441 LBFGSLineSearch: 6 00:37:43 309.378210 0.038065 LBFGSLineSearch: 7 00:37:44 309.378040 0.056666 LBFGSLineSearch: 8 00:37:44 309.377721 0.068686 LBFGSLineSearch: 9 00:37:45 309.377489 0.029460 LBFGSLineSearch: 10 00:37:45 309.377417 0.028790 LBFGSLineSearch: 11 00:37:45 309.377366 0.022758 LBFGSLineSearch: 12 00:37:46 309.377273 0.035121 LBFGSLineSearch: 13 00:37:46 309.377178 0.036316 LBFGSLineSearch: 14 00:37:47 309.377058 0.034931 LBFGSLineSearch: 15 00:37:47 309.377034 0.011203 LBFGSLineSearch: 16 00:37:48 309.377031 0.002664 LBFGSLineSearch: 17 00:37:48 309.377030 0.002384 LBFGSLineSearch: 18 00:37:49 309.377029 0.002138 LBFGSLineSearch: 19 00:37:50 309.377029 0.000600 LBFGSLineSearch: 20 00:37:50 309.377029 0.000233 LBFGSLineSearch: 21 00:37:51 309.377029 0.000001 Minimization converged after 21 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:59 343.906793 3.452977 LBFGSLineSearch: 1 00:38:00 343.353061 0.609949 LBFGSLineSearch: 2 00:38:00 343.348028 0.138153 LBFGSLineSearch: 3 00:38:01 343.347681 0.147077 LBFGSLineSearch: 4 00:38:01 343.347269 0.076829 LBFGSLineSearch: 5 00:38:02 343.347161 0.056493 LBFGSLineSearch: 6 00:38:03 343.347072 0.045184 LBFGSLineSearch: 7 00:38:03 343.346833 0.066238 LBFGSLineSearch: 8 00:38:04 343.346455 0.088174 LBFGSLineSearch: 9 00:38:04 343.346105 0.031589 LBFGSLineSearch: 10 00:38:05 343.345965 0.034833 LBFGSLineSearch: 11 00:38:05 343.345887 0.029706 LBFGSLineSearch: 12 00:38:05 343.345766 0.041135 LBFGSLineSearch: 13 00:38:06 343.345637 0.040196 LBFGSLineSearch: 14 00:38:06 343.345408 0.048826 LBFGSLineSearch: 15 00:38:07 343.345360 0.018038 LBFGSLineSearch: 16 00:38:07 343.345351 0.004582 LBFGSLineSearch: 17 00:38:08 343.345348 0.006541 LBFGSLineSearch: 18 00:38:11 343.345346 0.002885 LBFGSLineSearch: 19 00:38:12 343.345346 0.000084 LBFGSLineSearch: 20 00:38:13 343.345346 0.000002 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:20 380.868816 3.752348 LBFGSLineSearch: 1 00:38:21 380.253436 0.651419 LBFGSLineSearch: 2 00:38:21 380.247997 0.160142 LBFGSLineSearch: 3 00:38:22 380.247591 0.169695 LBFGSLineSearch: 4 00:38:22 380.247106 0.100548 LBFGSLineSearch: 5 00:38:23 380.246963 0.068953 LBFGSLineSearch: 6 00:38:25 380.246822 0.054577 LBFGSLineSearch: 7 00:38:25 380.246462 0.077384 LBFGSLineSearch: 8 00:38:26 380.245949 0.117875 LBFGSLineSearch: 9 00:38:27 380.245427 0.049908 LBFGSLineSearch: 10 00:38:28 380.245163 0.043622 LBFGSLineSearch: 11 00:38:28 380.245034 0.044891 LBFGSLineSearch: 12 00:38:28 380.244818 0.049221 LBFGSLineSearch: 13 00:38:29 380.244586 0.048868 LBFGSLineSearch: 14 00:38:29 380.244117 0.071322 LBFGSLineSearch: 15 00:38:30 380.244004 0.028242 LBFGSLineSearch: 16 00:38:30 380.243981 0.008383 LBFGSLineSearch: 17 00:38:30 380.243971 0.011745 LBFGSLineSearch: 18 00:38:31 380.243964 0.005552 LBFGSLineSearch: 19 00:38:31 380.243962 0.000053 LBFGSLineSearch: 20 00:38:32 380.243962 0.000003 Minimization converged after 20 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:41 420.988193 4.074425 LBFGSLineSearch: 1 00:38:41 420.305219 0.695192 LBFGSLineSearch: 2 00:38:41 420.299288 0.189463 LBFGSLineSearch: 3 00:38:41 420.298741 0.194625 LBFGSLineSearch: 4 00:38:41 420.298172 0.141326 LBFGSLineSearch: 5 00:38:42 420.297946 0.087494 LBFGSLineSearch: 6 00:38:42 420.297699 0.067447 LBFGSLineSearch: 7 00:38:42 420.297126 0.114859 LBFGSLineSearch: 8 00:38:43 420.296329 0.116473 LBFGSLineSearch: 9 00:38:43 420.295368 0.072268 LBFGSLineSearch: 10 00:38:43 420.294954 0.057478 LBFGSLineSearch: 11 00:38:44 420.294735 0.061465 LBFGSLineSearch: 12 00:38:44 420.294346 0.065530 LBFGSLineSearch: 13 00:38:44 420.293543 0.090537 LBFGSLineSearch: 14 00:38:44 420.292826 0.122764 LBFGSLineSearch: 15 00:38:44 420.291462 0.049361 LBFGSLineSearch: 16 00:38:44 420.291372 0.023419 LBFGSLineSearch: 17 00:38:44 420.291342 0.020743 LBFGSLineSearch: 18 00:38:44 420.291216 0.014405 LBFGSLineSearch: 19 00:38:44 420.291212 0.001127 LBFGSLineSearch: 20 00:38:44 420.291212 0.000093 LBFGSLineSearch: 21 00:38:45 420.291212 0.000067 LBFGSLineSearch: 22 00:38:45 420.291212 0.000014 LBFGSLineSearch: 23 00:38:45 420.291212 0.000000 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:54 464.488499 4.419729 LBFGSLineSearch: 1 00:38:55 463.881890 2.030057 LBFGSLineSearch: 2 00:38:55 463.745598 1.299824 LBFGSLineSearch: 3 00:38:56 463.725850 0.302689 LBFGSLineSearch: 4 00:38:56 463.723801 0.215859 LBFGSLineSearch: 5 00:38:56 463.722944 0.118504 LBFGSLineSearch: 6 00:38:57 463.722697 0.136362 LBFGSLineSearch: 7 00:38:58 463.721047 0.171137 LBFGSLineSearch: 8 00:38:58 463.719891 0.165746 LBFGSLineSearch: 9 00:38:58 463.716599 0.172662 LBFGSLineSearch: 10 00:38:58 463.715535 0.123685 LBFGSLineSearch: 11 00:38:59 463.714390 0.186329 LBFGSLineSearch: 12 00:38:59 463.709415 0.278224 LBFGSLineSearch: 13 00:38:59 462.146568 11.305970 LBFGSLineSearch: 14 00:38:59 462.145767 11.466545 LBFGSLineSearch: 15 00:39:00 459.712788 6.662621 LBFGSLineSearch: 16 00:39:00 458.129201 4.222731 LBFGSLineSearch: 17 00:39:01 457.742277 2.209809 LBFGSLineSearch: 18 00:39:01 457.170815 3.786885 LBFGSLineSearch: 19 00:39:01 457.030862 1.230784 LBFGSLineSearch: 20 00:39:01 457.005387 0.478970 LBFGSLineSearch: 21 00:39:01 456.995561 0.499505 LBFGSLineSearch: 22 00:39:01 456.986747 0.393910 LBFGSLineSearch: 23 00:39:01 456.975336 0.362210 LBFGSLineSearch: 24 00:39:01 456.968230 0.336229 LBFGSLineSearch: 25 00:39:02 456.960058 0.601201 LBFGSLineSearch: 26 00:39:02 456.947508 0.217671 LBFGSLineSearch: 27 00:39:02 456.945441 0.169493 LBFGSLineSearch: 28 00:39:02 456.944686 0.122775 LBFGSLineSearch: 29 00:39:02 456.944020 0.064049 LBFGSLineSearch: 30 00:39:02 456.943867 0.035533 LBFGSLineSearch: 31 00:39:03 456.943839 0.013716 LBFGSLineSearch: 32 00:39:03 456.943835 0.006356 LBFGSLineSearch: 33 00:39:03 456.943834 0.001775 LBFGSLineSearch: 34 00:39:04 456.943834 0.000250 LBFGSLineSearch: 35 00:39:04 456.943834 0.000018 LBFGSLineSearch: 36 00:39:05 456.943834 0.000002 Minimization converged after 36 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:14 503.871434 4.692760 LBFGSLineSearch: 1 00:39:14 503.199207 2.007906 LBFGSLineSearch: 2 00:39:15 503.053869 0.232139 LBFGSLineSearch: 3 00:39:15 503.052701 0.065101 LBFGSLineSearch: 4 00:39:15 503.052574 0.052594 LBFGSLineSearch: 5 00:39:16 503.052450 0.081933 LBFGSLineSearch: 6 00:39:16 503.052178 0.078215 LBFGSLineSearch: 7 00:39:17 503.051955 0.064323 LBFGSLineSearch: 8 00:39:18 503.051798 0.031931 LBFGSLineSearch: 9 00:39:18 503.051773 0.015572 LBFGSLineSearch: 10 00:39:19 503.051766 0.014390 LBFGSLineSearch: 11 00:39:19 503.051753 0.020904 LBFGSLineSearch: 12 00:39:19 503.051739 0.016023 LBFGSLineSearch: 13 00:39:19 503.051724 0.005960 LBFGSLineSearch: 14 00:39:19 503.051721 0.005858 LBFGSLineSearch: 15 00:39:20 503.051718 0.006243 LBFGSLineSearch: 16 00:39:20 503.051712 0.002373 LBFGSLineSearch: 17 00:39:20 503.051712 0.000956 LBFGSLineSearch: 18 00:39:20 503.051711 0.000134 LBFGSLineSearch: 19 00:39:20 503.051711 0.000013 LBFGSLineSearch: 20 00:39:21 503.051711 0.000000 Minimization converged after 20 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:31 553.925138 5.087343 LBFGSLineSearch: 1 00:39:32 553.155486 1.991483 LBFGSLineSearch: 2 00:39:32 553.021968 0.287431 LBFGSLineSearch: 3 00:39:33 553.020279 0.086454 LBFGSLineSearch: 4 00:39:33 553.020112 0.061260 LBFGSLineSearch: 5 00:39:33 553.019985 0.087238 LBFGSLineSearch: 6 00:39:33 553.019716 0.088046 LBFGSLineSearch: 7 00:39:33 553.019477 0.074056 LBFGSLineSearch: 8 00:39:33 553.019224 0.036628 LBFGSLineSearch: 9 00:39:34 553.019191 0.018675 LBFGSLineSearch: 10 00:39:34 553.019181 0.017424 LBFGSLineSearch: 11 00:39:34 553.019170 0.011263 LBFGSLineSearch: 12 00:39:35 553.019156 0.012128 LBFGSLineSearch: 13 00:39:35 553.019133 0.020275 LBFGSLineSearch: 14 00:39:36 553.019126 0.007043 LBFGSLineSearch: 15 00:39:37 553.019124 0.006166 LBFGSLineSearch: 16 00:39:38 553.019120 0.011692 LBFGSLineSearch: 17 00:39:38 553.019115 0.002198 LBFGSLineSearch: 18 00:39:39 553.019114 0.000890 LBFGSLineSearch: 19 00:39:39 553.019114 0.000009 Minimization converged after 19 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:50 608.132313 5.511323 LBFGSLineSearch: 1 00:39:50 607.254341 1.945118 LBFGSLineSearch: 2 00:39:50 607.135794 0.378983 LBFGSLineSearch: 3 00:39:50 607.133364 0.115662 LBFGSLineSearch: 4 00:39:50 607.133124 0.078562 LBFGSLineSearch: 5 00:39:50 607.132957 0.077359 LBFGSLineSearch: 6 00:39:50 607.132747 0.095463 LBFGSLineSearch: 7 00:39:50 607.132398 0.089429 LBFGSLineSearch: 8 00:39:50 607.132110 0.062019 LBFGSLineSearch: 9 00:39:50 607.132052 0.028811 LBFGSLineSearch: 10 00:39:51 607.132032 0.018361 LBFGSLineSearch: 11 00:39:51 607.132024 0.014810 LBFGSLineSearch: 12 00:39:51 607.131996 0.022754 LBFGSLineSearch: 13 00:39:51 607.131971 0.008655 LBFGSLineSearch: 14 00:39:51 607.131965 0.007850 LBFGSLineSearch: 15 00:39:51 607.131959 0.010538 LBFGSLineSearch: 16 00:39:51 607.131954 0.004225 LBFGSLineSearch: 17 00:39:51 607.131954 0.000453 LBFGSLineSearch: 18 00:39:51 607.131954 0.000002 Minimization converged after 18 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:01 666.797276 5.966532 LBFGSLineSearch: 1 00:40:01 665.799657 1.862795 LBFGSLineSearch: 2 00:40:02 665.699115 0.496944 LBFGSLineSearch: 3 00:40:04 665.695655 0.154141 LBFGSLineSearch: 4 00:40:05 665.695286 0.101763 LBFGSLineSearch: 5 00:40:05 665.695067 0.076102 LBFGSLineSearch: 6 00:40:06 665.694847 0.105113 LBFGSLineSearch: 7 00:40:06 665.694527 0.108327 LBFGSLineSearch: 8 00:40:07 665.694073 0.049407 LBFGSLineSearch: 9 00:40:07 665.694013 0.031345 LBFGSLineSearch: 10 00:40:07 665.693990 0.024965 LBFGSLineSearch: 11 00:40:07 665.693978 0.020366 LBFGSLineSearch: 12 00:40:07 665.693961 0.012702 LBFGSLineSearch: 13 00:40:07 665.693921 0.021077 LBFGSLineSearch: 14 00:40:07 665.693909 0.007692 LBFGSLineSearch: 15 00:40:07 665.693904 0.008101 LBFGSLineSearch: 16 00:40:08 665.693899 0.010384 LBFGSLineSearch: 17 00:40:08 665.693892 0.002290 LBFGSLineSearch: 18 00:40:08 665.693892 0.000644 LBFGSLineSearch: 19 00:40:08 665.693892 0.000268 LBFGSLineSearch: 20 00:40:08 665.693892 0.000002 Minimization converged after 20 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:18 730.242919 6.454904 LBFGSLineSearch: 1 00:40:20 729.114102 1.737662 LBFGSLineSearch: 2 00:40:21 729.034263 0.648001 LBFGSLineSearch: 3 00:40:23 729.029420 0.203990 LBFGSLineSearch: 4 00:40:24 729.028814 0.133838 LBFGSLineSearch: 5 00:40:24 729.028495 0.077269 LBFGSLineSearch: 6 00:40:25 729.028269 0.118096 LBFGSLineSearch: 7 00:40:25 729.027989 0.122128 LBFGSLineSearch: 8 00:40:25 729.027412 0.055955 LBFGSLineSearch: 9 00:40:25 729.027278 0.051653 LBFGSLineSearch: 10 00:40:25 729.027233 0.022198 LBFGSLineSearch: 11 00:40:26 729.027225 0.019716 LBFGSLineSearch: 12 00:40:26 729.027194 0.020534 LBFGSLineSearch: 13 00:40:26 729.027156 0.015202 LBFGSLineSearch: 14 00:40:27 729.027140 0.009881 LBFGSLineSearch: 15 00:40:27 729.027129 0.005623 LBFGSLineSearch: 16 00:40:27 729.027124 0.002543 LBFGSLineSearch: 17 00:40:27 729.027124 0.000446 LBFGSLineSearch: 18 00:40:28 729.027124 0.000014 LBFGSLineSearch: 19 00:40:28 729.027124 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:37 798.811505 6.978438 LBFGSLineSearch: 1 00:40:37 797.540024 1.561938 LBFGSLineSearch: 2 00:40:38 797.482955 0.840002 LBFGSLineSearch: 3 00:40:38 797.476348 0.268952 LBFGSLineSearch: 4 00:40:39 797.475290 0.177889 LBFGSLineSearch: 5 00:40:40 797.474772 0.102385 LBFGSLineSearch: 6 00:40:40 797.474569 0.136318 LBFGSLineSearch: 7 00:40:40 797.474286 0.131928 LBFGSLineSearch: 8 00:40:40 797.473761 0.071547 LBFGSLineSearch: 9 00:40:41 797.473457 0.109697 LBFGSLineSearch: 10 00:40:41 797.473314 0.032422 LBFGSLineSearch: 11 00:40:41 797.473296 0.023988 LBFGSLineSearch: 12 00:40:42 797.473278 0.019617 LBFGSLineSearch: 13 00:40:42 797.473244 0.024788 LBFGSLineSearch: 14 00:40:43 797.473204 0.013121 LBFGSLineSearch: 15 00:40:43 797.473197 0.009806 LBFGSLineSearch: 16 00:40:44 797.473187 0.007847 LBFGSLineSearch: 17 00:40:44 797.473182 0.000075 LBFGSLineSearch: 18 00:40:44 797.473182 0.000002 Minimization converged after 18 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:54 872.865495 7.539232 LBFGSLineSearch: 1 00:40:55 871.440371 1.326817 LBFGSLineSearch: 2 00:40:55 871.407122 1.082283 LBFGSLineSearch: 3 00:40:55 871.398415 0.358349 LBFGSLineSearch: 4 00:40:56 871.396464 0.233306 LBFGSLineSearch: 5 00:40:57 871.395577 0.133274 LBFGSLineSearch: 6 00:40:57 871.395253 0.111326 LBFGSLineSearch: 7 00:40:57 871.395036 0.131663 LBFGSLineSearch: 8 00:40:58 871.394152 0.122247 LBFGSLineSearch: 9 00:40:59 871.393919 0.051009 LBFGSLineSearch: 10 00:40:59 871.393865 0.023823 LBFGSLineSearch: 11 00:40:59 871.393856 0.022488 LBFGSLineSearch: 12 00:41:00 871.393814 0.018888 LBFGSLineSearch: 13 00:41:00 871.393768 0.010183 LBFGSLineSearch: 14 00:41:01 871.393761 0.013293 LBFGSLineSearch: 15 00:41:01 871.393746 0.008484 LBFGSLineSearch: 16 00:41:01 871.393746 0.000181 LBFGSLineSearch: 17 00:41:01 871.393746 0.000001 Minimization converged after 17 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:08 952.788351 8.139461 LBFGSLineSearch: 1 00:41:08 951.199632 1.022424 LBFGSLineSearch: 2 00:41:08 951.180853 0.656733 LBFGSLineSearch: 3 00:41:08 951.174663 0.362252 LBFGSLineSearch: 4 00:41:09 951.173704 0.137464 LBFGSLineSearch: 5 00:41:09 951.173368 0.107951 LBFGSLineSearch: 6 00:41:09 951.173042 0.154305 LBFGSLineSearch: 7 00:41:09 951.172131 0.133883 LBFGSLineSearch: 8 00:41:09 951.171743 0.128856 LBFGSLineSearch: 9 00:41:09 951.171610 0.043069 LBFGSLineSearch: 10 00:41:10 951.171550 0.031035 LBFGSLineSearch: 11 00:41:10 951.171536 0.021015 LBFGSLineSearch: 12 00:41:10 951.171517 0.016332 LBFGSLineSearch: 13 00:41:13 951.171463 0.008582 LBFGSLineSearch: 14 00:41:16 951.171457 0.009299 LBFGSLineSearch: 15 00:41:18 951.171451 0.007967 LBFGSLineSearch: 16 00:41:20 951.171440 0.002543 LBFGSLineSearch: 17 00:41:21 951.171440 0.000184 LBFGSLineSearch: 18 00:41:22 951.171440 0.000000 Minimization converged after 18 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:30 1038.985322 8.781389 LBFGSLineSearch: 1 00:41:30 1037.224777 0.637916 LBFGSLineSearch: 2 00:41:30 1037.217428 0.440566 LBFGSLineSearch: 3 00:41:30 1037.214113 0.325480 LBFGSLineSearch: 4 00:41:31 1037.213133 0.161757 LBFGSLineSearch: 5 00:41:31 1037.212694 0.131252 LBFGSLineSearch: 6 00:41:31 1037.212401 0.200341 LBFGSLineSearch: 7 00:41:31 1037.211420 0.135317 LBFGSLineSearch: 8 00:41:32 1037.210837 0.081279 LBFGSLineSearch: 9 00:41:32 1037.210740 0.036563 LBFGSLineSearch: 10 00:41:32 1037.210691 0.019021 LBFGSLineSearch: 11 00:41:32 1037.210684 0.031464 LBFGSLineSearch: 12 00:41:33 1037.210658 0.021997 LBFGSLineSearch: 13 00:41:33 1037.210638 0.012241 LBFGSLineSearch: 14 00:41:34 1037.210626 0.006862 LBFGSLineSearch: 15 00:41:35 1037.210621 0.007692 LBFGSLineSearch: 16 00:41:35 1037.210612 0.001552 LBFGSLineSearch: 17 00:41:36 1037.210612 0.000227 LBFGSLineSearch: 18 00:41:36 1037.210612 0.000001 Minimization converged after 18 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:45 1131.884172 9.467356 LBFGSLineSearch: 1 00:41:45 1129.946175 0.574318 LBFGSLineSearch: 2 00:41:46 1129.942325 0.379338 LBFGSLineSearch: 3 00:41:46 1129.941264 0.172411 LBFGSLineSearch: 4 00:41:47 1129.940798 0.159824 LBFGSLineSearch: 5 00:41:48 1129.940217 0.150918 LBFGSLineSearch: 6 00:41:48 1129.939707 0.170823 LBFGSLineSearch: 7 00:41:48 1129.938717 0.180462 LBFGSLineSearch: 8 00:41:49 1129.938254 0.083860 LBFGSLineSearch: 9 00:41:49 1129.938147 0.029736 LBFGSLineSearch: 10 00:41:49 1129.938109 0.032818 LBFGSLineSearch: 11 00:41:49 1129.938099 0.020584 LBFGSLineSearch: 12 00:41:50 1129.938083 0.013335 LBFGSLineSearch: 13 00:41:50 1129.938061 0.015142 LBFGSLineSearch: 14 00:41:50 1129.938055 0.005707 LBFGSLineSearch: 15 00:41:51 1129.938052 0.004988 LBFGSLineSearch: 16 00:41:52 1129.938050 0.009080 LBFGSLineSearch: 17 00:41:52 1129.938046 0.000302 LBFGSLineSearch: 18 00:41:53 1129.938046 0.000001 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:00 1231.935823 10.199778 LBFGSLineSearch: 1 00:42:01 1229.818464 0.684106 LBFGSLineSearch: 2 00:42:01 1229.811435 0.472612 LBFGSLineSearch: 3 00:42:01 1229.808155 0.361838 LBFGSLineSearch: 4 00:42:02 1229.806798 0.214583 LBFGSLineSearch: 5 00:42:03 1229.806111 0.187474 LBFGSLineSearch: 6 00:42:03 1229.805770 0.193917 LBFGSLineSearch: 7 00:42:04 1229.804745 0.132254 LBFGSLineSearch: 8 00:42:05 1229.803927 0.111466 LBFGSLineSearch: 9 00:42:06 1229.803715 0.044370 LBFGSLineSearch: 10 00:42:06 1229.803669 0.040009 LBFGSLineSearch: 11 00:42:07 1229.803652 0.018827 LBFGSLineSearch: 12 00:42:07 1229.803635 0.014703 LBFGSLineSearch: 13 00:42:09 1229.803621 0.008381 LBFGSLineSearch: 14 00:42:09 1229.803615 0.002988 LBFGSLineSearch: 15 00:42:11 1229.803614 0.003077 LBFGSLineSearch: 16 00:42:11 1229.803613 0.000608 LBFGSLineSearch: 17 00:42:12 1229.803613 0.000036 LBFGSLineSearch: 18 00:42:12 1229.803613 0.000000 Minimization converged after 18 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:20 1339.614948 10.981134 LBFGSLineSearch: 1 00:42:20 1337.321410 1.377819 LBFGSLineSearch: 2 00:42:20 1337.300033 0.976974 LBFGSLineSearch: 3 00:42:20 1337.287925 0.711347 LBFGSLineSearch: 4 00:42:20 1337.284661 0.317656 LBFGSLineSearch: 5 00:42:20 1337.283700 0.186790 LBFGSLineSearch: 6 00:42:20 1337.283376 0.184761 LBFGSLineSearch: 7 00:42:20 1337.282379 0.141747 LBFGSLineSearch: 8 00:42:21 1337.281544 0.247501 LBFGSLineSearch: 9 00:42:21 1337.281085 0.119344 LBFGSLineSearch: 10 00:42:21 1337.280960 0.056835 LBFGSLineSearch: 11 00:42:21 1337.280918 0.023565 LBFGSLineSearch: 12 00:42:21 1337.280902 0.015930 LBFGSLineSearch: 13 00:42:21 1337.280882 0.012609 LBFGSLineSearch: 14 00:42:22 1337.280876 0.001049 LBFGSLineSearch: 15 00:42:22 1337.280876 0.000110 LBFGSLineSearch: 16 00:42:22 1337.280876 0.000115 LBFGSLineSearch: 17 00:42:22 1337.280876 0.000011 LBFGSLineSearch: 18 00:42:23 1337.280876 0.000000 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:32 1455.420530 11.813965 Failed to get energy or crystal structure at pressure 6501.994708861737 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:33 -47.828099 0.000462 LBFGSLineSearch: 1 00:42:34 -47.828099 0.000453 LBFGSLineSearch: 2 00:42:34 -47.828099 0.000236 LBFGSLineSearch: 3 00:42:34 -47.828099 0.000156 LBFGSLineSearch: 4 00:42:34 -47.828099 0.000042 LBFGSLineSearch: 5 00:42:34 -47.828099 0.000018 LBFGSLineSearch: 6 00:42:34 -47.828099 0.000007 Minimization converged after 6 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:42 -48.152815 0.032472 LBFGSLineSearch: 1 00:42:43 -48.152916 0.037017 LBFGSLineSearch: 2 00:42:43 -48.152953 0.025755 LBFGSLineSearch: 3 00:42:43 -48.152979 0.015551 LBFGSLineSearch: 4 00:42:44 -48.153025 0.023501 LBFGSLineSearch: 5 00:42:45 -48.153079 0.029737 LBFGSLineSearch: 6 00:42:45 -48.153112 0.010402 LBFGSLineSearch: 7 00:42:47 -48.153143 0.006165 LBFGSLineSearch: 8 00:42:48 -48.153148 0.006454 LBFGSLineSearch: 9 00:42:49 -48.153151 0.003288 LBFGSLineSearch: 10 00:42:50 -48.153152 0.002016 LBFGSLineSearch: 11 00:42:51 -48.153154 0.001444 LBFGSLineSearch: 12 00:42:52 -48.153154 0.001207 LBFGSLineSearch: 13 00:42:53 -48.153154 0.001221 LBFGSLineSearch: 14 00:42:53 -48.153155 0.000690 LBFGSLineSearch: 15 00:42:54 -48.153155 0.000618 LBFGSLineSearch: 16 00:42:54 -48.153155 0.000662 LBFGSLineSearch: 17 00:42:54 -48.153155 0.000599 LBFGSLineSearch: 18 00:42:55 -48.153155 0.000519 LBFGSLineSearch: 19 00:42:55 -48.153155 0.000210 LBFGSLineSearch: 20 00:42:56 -48.153155 0.000192 LBFGSLineSearch: 21 00:42:56 -48.153155 0.000034 LBFGSLineSearch: 22 00:42:57 -48.153155 0.000048 LBFGSLineSearch: 23 00:42:57 -48.153155 0.000001 Minimization converged after 23 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:06 -48.478552 0.032540 LBFGSLineSearch: 1 00:43:07 -48.478651 0.036717 LBFGSLineSearch: 2 00:43:07 -48.478687 0.026395 LBFGSLineSearch: 3 00:43:07 -48.478713 0.016224 LBFGSLineSearch: 4 00:43:07 -48.478759 0.022573 LBFGSLineSearch: 5 00:43:08 -48.478822 0.030974 LBFGSLineSearch: 6 00:43:08 -48.478851 0.010820 LBFGSLineSearch: 7 00:43:08 -48.478882 0.006880 LBFGSLineSearch: 8 00:43:08 -48.478887 0.007064 LBFGSLineSearch: 9 00:43:09 -48.478890 0.001969 LBFGSLineSearch: 10 00:43:09 -48.478892 0.001672 LBFGSLineSearch: 11 00:43:09 -48.478892 0.001269 LBFGSLineSearch: 12 00:43:09 -48.478892 0.001171 LBFGSLineSearch: 13 00:43:10 -48.478893 0.000689 LBFGSLineSearch: 14 00:43:10 -48.478893 0.000813 LBFGSLineSearch: 15 00:43:10 -48.478893 0.000645 LBFGSLineSearch: 16 00:43:11 -48.478893 0.000570 LBFGSLineSearch: 17 00:43:11 -48.478893 0.000410 LBFGSLineSearch: 18 00:43:11 -48.478894 0.000249 LBFGSLineSearch: 19 00:43:11 -48.478894 0.000206 LBFGSLineSearch: 20 00:43:12 -48.478894 0.000075 LBFGSLineSearch: 21 00:43:12 -48.478894 0.000093 LBFGSLineSearch: 22 00:43:12 -48.478894 0.000019 LBFGSLineSearch: 23 00:43:12 -48.478894 0.000000 Minimization converged after 23 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:22 -48.804974 0.032608 LBFGSLineSearch: 1 00:43:23 -48.805070 0.036412 LBFGSLineSearch: 2 00:43:23 -48.805105 0.026987 LBFGSLineSearch: 3 00:43:23 -48.805132 0.016888 LBFGSLineSearch: 4 00:43:23 -48.805178 0.021783 LBFGSLineSearch: 5 00:43:24 -48.805249 0.026493 LBFGSLineSearch: 6 00:43:24 -48.805275 0.010281 LBFGSLineSearch: 7 00:43:24 -48.805304 0.008216 LBFGSLineSearch: 8 00:43:24 -48.805309 0.006800 LBFGSLineSearch: 9 00:43:24 -48.805313 0.002067 LBFGSLineSearch: 10 00:43:25 -48.805314 0.002996 LBFGSLineSearch: 11 00:43:25 -48.805315 0.001193 LBFGSLineSearch: 12 00:43:25 -48.805316 0.002493 LBFGSLineSearch: 13 00:43:25 -48.805316 0.001161 LBFGSLineSearch: 14 00:43:25 -48.805316 0.000518 LBFGSLineSearch: 15 00:43:26 -48.805316 0.000880 LBFGSLineSearch: 16 00:43:26 -48.805316 0.000482 LBFGSLineSearch: 17 00:43:26 -48.805316 0.000363 LBFGSLineSearch: 18 00:43:27 -48.805316 0.000330 LBFGSLineSearch: 19 00:43:27 -48.805316 0.000516 LBFGSLineSearch: 20 00:43:27 -48.805316 0.000161 LBFGSLineSearch: 21 00:43:27 -48.805316 0.000134 LBFGSLineSearch: 22 00:43:27 -48.805316 0.000133 LBFGSLineSearch: 23 00:43:28 -48.805316 0.000106 LBFGSLineSearch: 24 00:43:28 -48.805316 0.000086 LBFGSLineSearch: 25 00:43:28 -48.805316 0.000038 LBFGSLineSearch: 26 00:43:28 -48.805316 0.000000 Minimization converged after 26 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:39 -49.132082 0.032677 LBFGSLineSearch: 1 00:43:39 -49.132177 0.036109 LBFGSLineSearch: 2 00:43:39 -49.132211 0.027535 LBFGSLineSearch: 3 00:43:39 -49.132238 0.017555 LBFGSLineSearch: 4 00:43:39 -49.132284 0.022022 LBFGSLineSearch: 5 00:43:39 -49.132363 0.020880 LBFGSLineSearch: 6 00:43:39 -49.132386 0.010863 LBFGSLineSearch: 7 00:43:40 -49.132414 0.008620 LBFGSLineSearch: 8 00:43:40 -49.132420 0.007986 LBFGSLineSearch: 9 00:43:40 -49.132424 0.002144 LBFGSLineSearch: 10 00:43:40 -49.132425 0.003431 LBFGSLineSearch: 11 00:43:41 -49.132425 0.001184 LBFGSLineSearch: 12 00:43:41 -49.132426 0.002059 LBFGSLineSearch: 13 00:43:41 -49.132426 0.000856 LBFGSLineSearch: 14 00:43:42 -49.132426 0.000543 LBFGSLineSearch: 15 00:43:42 -49.132426 0.000739 LBFGSLineSearch: 16 00:43:42 -49.132427 0.000421 LBFGSLineSearch: 17 00:43:42 -49.132427 0.000297 LBFGSLineSearch: 18 00:43:43 -49.132427 0.000394 LBFGSLineSearch: 19 00:43:43 -49.132427 0.000195 LBFGSLineSearch: 20 00:43:44 -49.132427 0.000175 LBFGSLineSearch: 21 00:43:44 -49.132427 0.000171 LBFGSLineSearch: 22 00:43:44 -49.132427 0.000105 LBFGSLineSearch: 23 00:43:45 -49.132427 0.000093 LBFGSLineSearch: 24 00:43:45 -49.132427 0.000027 LBFGSLineSearch: 25 00:43:45 -49.132427 0.000000 Minimization converged after 25 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:52 -49.459882 0.032746 LBFGSLineSearch: 1 00:43:53 -49.459975 0.035809 LBFGSLineSearch: 2 00:43:53 -49.460009 0.028041 LBFGSLineSearch: 3 00:43:53 -49.460036 0.018235 LBFGSLineSearch: 4 00:43:54 -49.460081 0.022978 LBFGSLineSearch: 5 00:43:55 -49.460167 0.015656 LBFGSLineSearch: 6 00:43:55 -49.460188 0.011244 LBFGSLineSearch: 7 00:43:56 -49.460216 0.008768 LBFGSLineSearch: 8 00:43:57 -49.460222 0.009544 LBFGSLineSearch: 9 00:43:58 -49.460226 0.002199 LBFGSLineSearch: 10 00:43:58 -49.460227 0.003015 LBFGSLineSearch: 11 00:43:58 -49.460227 0.001545 LBFGSLineSearch: 12 00:43:59 -49.460228 0.001120 LBFGSLineSearch: 13 00:43:59 -49.460228 0.002119 LBFGSLineSearch: 14 00:43:59 -49.460228 0.000570 LBFGSLineSearch: 15 00:44:00 -49.460229 0.000416 LBFGSLineSearch: 16 00:44:00 -49.460229 0.000400 LBFGSLineSearch: 17 00:44:00 -49.460229 0.000376 LBFGSLineSearch: 18 00:44:00 -49.460229 0.000271 LBFGSLineSearch: 19 00:44:01 -49.460229 0.000281 LBFGSLineSearch: 20 00:44:01 -49.460229 0.000203 LBFGSLineSearch: 21 00:44:01 -49.460229 0.000295 LBFGSLineSearch: 22 00:44:01 -49.460229 0.000153 LBFGSLineSearch: 23 00:44:01 -49.460229 0.000104 LBFGSLineSearch: 24 00:44:01 -49.460229 0.000096 LBFGSLineSearch: 25 00:44:02 -49.460229 0.000003 Minimization converged after 25 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:10 -49.788378 0.032815 LBFGSLineSearch: 1 00:44:10 -49.788469 0.032644 LBFGSLineSearch: 2 00:44:11 -49.788505 0.023059 LBFGSLineSearch: 3 00:44:11 -49.788532 0.019070 LBFGSLineSearch: 4 00:44:11 -49.788576 0.024250 LBFGSLineSearch: 5 00:44:12 -49.788668 0.013497 LBFGSLineSearch: 6 00:44:12 -49.788688 0.017644 LBFGSLineSearch: 7 00:44:13 -49.788714 0.009059 LBFGSLineSearch: 8 00:44:14 -49.788721 0.004065 LBFGSLineSearch: 9 00:44:14 -49.788723 0.002288 LBFGSLineSearch: 10 00:44:14 -49.788724 0.002180 LBFGSLineSearch: 11 00:44:14 -49.788725 0.002772 LBFGSLineSearch: 12 00:44:15 -49.788726 0.001084 LBFGSLineSearch: 13 00:44:15 -49.788726 0.000651 LBFGSLineSearch: 14 00:44:16 -49.788727 0.000588 LBFGSLineSearch: 15 00:44:16 -49.788727 0.000365 LBFGSLineSearch: 16 00:44:17 -49.788727 0.000389 LBFGSLineSearch: 17 00:44:17 -49.788727 0.000224 LBFGSLineSearch: 18 00:44:17 -49.788727 0.000284 LBFGSLineSearch: 19 00:44:17 -49.788727 0.000146 LBFGSLineSearch: 20 00:44:17 -49.788727 0.000125 LBFGSLineSearch: 21 00:44:17 -49.788727 0.000186 LBFGSLineSearch: 22 00:44:18 -49.788727 0.000118 LBFGSLineSearch: 23 00:44:18 -49.788727 0.000003 Minimization converged after 23 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:28 -50.117574 0.032885 LBFGSLineSearch: 1 00:44:28 -50.117664 0.026930 LBFGSLineSearch: 2 00:44:29 -50.117702 0.019377 LBFGSLineSearch: 3 00:44:30 -50.117732 0.017623 LBFGSLineSearch: 4 00:44:30 -50.117762 0.022893 LBFGSLineSearch: 5 00:44:30 -50.117821 0.025258 LBFGSLineSearch: 6 00:44:31 -50.117879 0.019435 LBFGSLineSearch: 7 00:44:31 -50.117892 0.009495 LBFGSLineSearch: 8 00:44:31 -50.117908 0.016508 LBFGSLineSearch: 9 00:44:32 -50.117919 0.006209 LBFGSLineSearch: 10 00:44:32 -50.117923 0.002651 LBFGSLineSearch: 11 00:44:32 -50.117924 0.003298 LBFGSLineSearch: 12 00:44:32 -50.117925 0.001366 LBFGSLineSearch: 13 00:44:33 -50.117925 0.001754 LBFGSLineSearch: 14 00:44:33 -50.117926 0.000773 LBFGSLineSearch: 15 00:44:33 -50.117926 0.000476 LBFGSLineSearch: 16 00:44:33 -50.117926 0.000736 LBFGSLineSearch: 17 00:44:33 -50.117926 0.000271 LBFGSLineSearch: 18 00:44:33 -50.117926 0.000183 LBFGSLineSearch: 19 00:44:34 -50.117926 0.000344 LBFGSLineSearch: 20 00:44:34 -50.117926 0.000114 LBFGSLineSearch: 21 00:44:34 -50.117926 0.000286 LBFGSLineSearch: 22 00:44:34 -50.117926 0.000105 LBFGSLineSearch: 23 00:44:34 -50.117926 0.000024 LBFGSLineSearch: 24 00:44:34 -50.117926 0.000000 Minimization converged after 24 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:42 -50.447478 0.032955 LBFGSLineSearch: 1 00:44:43 -50.447568 0.021224 LBFGSLineSearch: 2 00:44:43 -50.447614 0.026239 LBFGSLineSearch: 3 00:44:44 -50.447642 0.020854 LBFGSLineSearch: 4 00:44:44 -50.447676 0.023036 LBFGSLineSearch: 5 00:44:44 -50.447735 0.033676 LBFGSLineSearch: 6 00:44:44 -50.447789 0.012833 LBFGSLineSearch: 7 00:44:45 -50.447805 0.014772 LBFGSLineSearch: 8 00:44:45 -50.447822 0.007684 LBFGSLineSearch: 9 00:44:45 -50.447827 0.010459 LBFGSLineSearch: 10 00:44:46 -50.447829 0.002459 LBFGSLineSearch: 11 00:44:46 -50.447831 0.001739 LBFGSLineSearch: 12 00:44:47 -50.447831 0.001092 LBFGSLineSearch: 13 00:44:47 -50.447831 0.002205 LBFGSLineSearch: 14 00:44:47 -50.447832 0.000488 LBFGSLineSearch: 15 00:44:47 -50.447832 0.000299 LBFGSLineSearch: 16 00:44:47 -50.447832 0.000294 LBFGSLineSearch: 17 00:44:47 -50.447832 0.000248 LBFGSLineSearch: 18 00:44:48 -50.447832 0.000207 LBFGSLineSearch: 19 00:44:49 -50.447832 0.000202 LBFGSLineSearch: 20 00:44:49 -50.447832 0.000142 LBFGSLineSearch: 21 00:44:49 -50.447832 0.000183 LBFGSLineSearch: 22 00:44:50 -50.447832 0.000091 LBFGSLineSearch: 23 00:44:51 -50.447832 0.000071 LBFGSLineSearch: 24 00:44:51 -50.447832 0.000022 LBFGSLineSearch: 25 00:44:51 -50.447832 0.000011 LBFGSLineSearch: 26 00:44:51 -50.447832 0.000000 Minimization converged after 26 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:58 -50.778094 0.033026 LBFGSLineSearch: 1 00:44:59 -50.778185 0.015518 LBFGSLineSearch: 2 00:45:00 -50.778233 0.028303 LBFGSLineSearch: 3 00:45:00 -50.778252 0.024897 LBFGSLineSearch: 4 00:45:01 -50.778304 0.028333 LBFGSLineSearch: 5 00:45:01 -50.778392 0.022886 LBFGSLineSearch: 6 00:45:02 -50.778411 0.011740 LBFGSLineSearch: 7 00:45:02 -50.778435 0.008750 LBFGSLineSearch: 8 00:45:02 -50.778442 0.006205 LBFGSLineSearch: 9 00:45:03 -50.778448 0.003547 LBFGSLineSearch: 10 00:45:03 -50.778449 0.002453 LBFGSLineSearch: 11 00:45:04 -50.778451 0.001130 LBFGSLineSearch: 12 00:45:04 -50.778451 0.002258 LBFGSLineSearch: 13 00:45:05 -50.778452 0.000556 LBFGSLineSearch: 14 00:45:06 -50.778452 0.000387 LBFGSLineSearch: 15 00:45:07 -50.778452 0.000188 LBFGSLineSearch: 16 00:45:08 -50.778452 0.000256 LBFGSLineSearch: 17 00:45:09 -50.778452 0.000155 LBFGSLineSearch: 18 00:45:09 -50.778452 0.000112 LBFGSLineSearch: 19 00:45:09 -50.778452 0.000337 LBFGSLineSearch: 20 00:45:09 -50.778452 0.000092 LBFGSLineSearch: 21 00:45:09 -50.778452 0.000039 LBFGSLineSearch: 22 00:45:10 -50.778452 0.000000 Minimization converged after 22 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:19 -51.109430 0.033098 LBFGSLineSearch: 1 00:45:20 -51.109523 0.015035 LBFGSLineSearch: 2 00:45:20 -51.109558 0.029105 LBFGSLineSearch: 3 00:45:20 -51.109588 0.037116 LBFGSLineSearch: 4 00:45:20 -51.109632 0.025346 LBFGSLineSearch: 5 00:45:20 -51.109690 0.026786 LBFGSLineSearch: 6 00:45:21 -51.109739 0.016335 LBFGSLineSearch: 7 00:45:21 -51.109757 0.011449 LBFGSLineSearch: 8 00:45:21 -51.109770 0.010178 LBFGSLineSearch: 9 00:45:21 -51.109781 0.007971 LBFGSLineSearch: 10 00:45:21 -51.109786 0.005024 LBFGSLineSearch: 11 00:45:22 -51.109788 0.003154 LBFGSLineSearch: 12 00:45:22 -51.109789 0.004696 LBFGSLineSearch: 13 00:45:23 -51.109791 0.001718 LBFGSLineSearch: 14 00:45:23 -51.109791 0.001608 LBFGSLineSearch: 15 00:45:23 -51.109792 0.001418 LBFGSLineSearch: 16 00:45:23 -51.109792 0.000512 LBFGSLineSearch: 17 00:45:23 -51.109792 0.000441 LBFGSLineSearch: 18 00:45:24 -51.109792 0.000598 LBFGSLineSearch: 19 00:45:24 -51.109792 0.000213 LBFGSLineSearch: 20 00:45:25 -51.109792 0.000152 LBFGSLineSearch: 21 00:45:25 -51.109792 0.000110 LBFGSLineSearch: 22 00:45:26 -51.109792 0.000111 LBFGSLineSearch: 23 00:45:26 -51.109792 0.000086 LBFGSLineSearch: 24 00:45:26 -51.109792 0.000094 LBFGSLineSearch: 25 00:45:26 -51.109792 0.000061 LBFGSLineSearch: 26 00:45:27 -51.109792 0.000030 LBFGSLineSearch: 27 00:45:27 -51.109792 0.000028 LBFGSLineSearch: 28 00:45:27 -51.109792 0.000022 LBFGSLineSearch: 29 00:45:28 -51.109792 0.000002 Minimization converged after 29 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:36 -51.441495 0.033171 LBFGSLineSearch: 1 00:45:36 -51.441593 0.025277 LBFGSLineSearch: 2 00:45:36 -51.441618 0.021251 LBFGSLineSearch: 3 00:45:36 -51.441648 0.025285 LBFGSLineSearch: 4 00:45:36 -51.441723 0.032635 LBFGSLineSearch: 5 00:45:37 -51.441816 0.013986 LBFGSLineSearch: 6 00:45:37 -51.441838 0.013853 LBFGSLineSearch: 7 00:45:37 -51.441843 0.005960 LBFGSLineSearch: 8 00:45:37 -51.441848 0.005628 LBFGSLineSearch: 9 00:45:38 -51.441852 0.013937 LBFGSLineSearch: 10 00:45:38 -51.441854 0.005354 LBFGSLineSearch: 11 00:45:38 -51.441856 0.002337 LBFGSLineSearch: 12 00:45:39 -51.441857 0.004860 LBFGSLineSearch: 13 00:45:40 -51.441859 0.002154 LBFGSLineSearch: 14 00:45:41 -51.441859 0.002759 LBFGSLineSearch: 15 00:45:42 -51.441860 0.001502 LBFGSLineSearch: 16 00:45:43 -51.441860 0.001305 LBFGSLineSearch: 17 00:45:43 -51.441860 0.000818 LBFGSLineSearch: 18 00:45:44 -51.441860 0.000601 LBFGSLineSearch: 19 00:45:44 -51.441860 0.000419 LBFGSLineSearch: 20 00:45:44 -51.441860 0.000296 LBFGSLineSearch: 21 00:45:45 -51.441860 0.000399 LBFGSLineSearch: 22 00:45:45 -51.441860 0.000065 LBFGSLineSearch: 23 00:45:46 -51.441860 0.000071 LBFGSLineSearch: 24 00:45:46 -51.441860 0.000110 LBFGSLineSearch: 25 00:45:46 -51.441860 0.000122 LBFGSLineSearch: 26 00:45:47 -51.441860 0.000030 LBFGSLineSearch: 27 00:45:47 -51.441860 0.000022 LBFGSLineSearch: 28 00:45:47 -51.441860 0.000016 LBFGSLineSearch: 29 00:45:48 -51.441860 0.000002 Minimization converged after 29 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:55 -51.774296 0.033244 LBFGSLineSearch: 1 00:45:55 -51.774401 0.026959 LBFGSLineSearch: 2 00:45:56 -51.774432 0.016782 LBFGSLineSearch: 3 00:45:56 -51.774466 0.027732 LBFGSLineSearch: 4 00:45:56 -51.774528 0.041364 LBFGSLineSearch: 5 00:45:56 -51.774617 0.023648 LBFGSLineSearch: 6 00:45:57 -51.774638 0.010877 LBFGSLineSearch: 7 00:45:57 -51.774658 0.017117 LBFGSLineSearch: 8 00:45:57 -51.774667 0.005276 LBFGSLineSearch: 9 00:45:57 -51.774672 0.003120 LBFGSLineSearch: 10 00:45:57 -51.774672 0.002472 LBFGSLineSearch: 11 00:45:58 -51.774674 0.001116 LBFGSLineSearch: 12 00:45:58 -51.774674 0.001382 LBFGSLineSearch: 13 00:45:58 -51.774675 0.001353 LBFGSLineSearch: 14 00:45:58 -51.774675 0.000538 LBFGSLineSearch: 15 00:45:58 -51.774675 0.000456 LBFGSLineSearch: 16 00:45:59 -51.774675 0.000572 LBFGSLineSearch: 17 00:45:59 -51.774675 0.000311 LBFGSLineSearch: 18 00:45:59 -51.774675 0.000074 LBFGSLineSearch: 19 00:45:59 -51.774675 0.000076 LBFGSLineSearch: 20 00:45:59 -51.774675 0.000036 LBFGSLineSearch: 21 00:46:00 -51.774675 0.000031 LBFGSLineSearch: 22 00:46:00 -51.774675 0.000011 LBFGSLineSearch: 23 00:46:00 -51.774675 0.000002 Minimization converged after 23 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:08 -52.107882 0.033323 LBFGSLineSearch: 1 00:46:09 -52.107993 0.024342 LBFGSLineSearch: 2 00:46:09 -52.108050 0.025141 LBFGSLineSearch: 3 00:46:09 -52.108106 0.024051 LBFGSLineSearch: 4 00:46:09 -52.108136 0.014540 LBFGSLineSearch: 5 00:46:10 -52.108167 0.019941 LBFGSLineSearch: 6 00:46:11 -52.108251 0.020030 LBFGSLineSearch: 7 00:46:13 -52.108257 0.015085 LBFGSLineSearch: 8 00:46:13 -52.108266 0.009760 LBFGSLineSearch: 9 00:46:14 -52.108273 0.006826 LBFGSLineSearch: 10 00:46:14 -52.108277 0.003208 LBFGSLineSearch: 11 00:46:14 -52.108278 0.002841 LBFGSLineSearch: 12 00:46:14 -52.108280 0.001455 LBFGSLineSearch: 13 00:46:14 -52.108280 0.001699 LBFGSLineSearch: 14 00:46:14 -52.108280 0.000738 LBFGSLineSearch: 15 00:46:14 -52.108280 0.001197 LBFGSLineSearch: 16 00:46:14 -52.108280 0.000712 LBFGSLineSearch: 17 00:46:14 -52.108280 0.001479 LBFGSLineSearch: 18 00:46:14 -52.108281 0.000411 LBFGSLineSearch: 19 00:46:15 -52.108281 0.000253 LBFGSLineSearch: 20 00:46:15 -52.108281 0.000272 LBFGSLineSearch: 21 00:46:16 -52.108281 0.000157 LBFGSLineSearch: 22 00:46:16 -52.108281 0.000131 LBFGSLineSearch: 23 00:46:17 -52.108281 0.000092 LBFGSLineSearch: 24 00:46:17 -52.108281 0.000024 LBFGSLineSearch: 25 00:46:17 -52.108281 0.000024 LBFGSLineSearch: 26 00:46:18 -52.108281 0.000022 LBFGSLineSearch: 27 00:46:18 -52.108281 0.000023 LBFGSLineSearch: 28 00:46:18 -52.108281 0.000015 LBFGSLineSearch: 29 00:46:18 -52.108281 0.000000 Minimization converged after 29 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:27 -52.442286 0.033401 LBFGSLineSearch: 1 00:46:27 -52.442408 0.029730 LBFGSLineSearch: 2 00:46:27 -52.442554 0.018275 LBFGSLineSearch: 3 00:46:28 -52.442588 0.013364 LBFGSLineSearch: 4 00:46:28 -52.442610 0.012417 LBFGSLineSearch: 5 00:46:28 -52.442626 0.011810 LBFGSLineSearch: 6 00:46:29 -52.442661 0.009720 LBFGSLineSearch: 7 00:46:30 -52.442677 0.009807 LBFGSLineSearch: 8 00:46:31 -52.442688 0.004807 LBFGSLineSearch: 9 00:46:31 -52.442693 0.001593 LBFGSLineSearch: 10 00:46:32 -52.442693 0.001505 LBFGSLineSearch: 11 00:46:33 -52.442695 0.000784 LBFGSLineSearch: 12 00:46:34 -52.442695 0.000511 LBFGSLineSearch: 13 00:46:34 -52.442695 0.000417 LBFGSLineSearch: 14 00:46:34 -52.442695 0.000503 LBFGSLineSearch: 15 00:46:35 -52.442695 0.000241 LBFGSLineSearch: 16 00:46:35 -52.442695 0.000228 LBFGSLineSearch: 17 00:46:35 -52.442695 0.000106 LBFGSLineSearch: 18 00:46:35 -52.442695 0.000055 LBFGSLineSearch: 19 00:46:35 -52.442695 0.000060 LBFGSLineSearch: 20 00:46:35 -52.442695 0.000045 LBFGSLineSearch: 21 00:46:36 -52.442695 0.000044 LBFGSLineSearch: 22 00:46:36 -52.442695 0.000050 LBFGSLineSearch: 23 00:46:36 -52.442695 0.000075 LBFGSLineSearch: 24 00:46:36 -52.442695 0.000042 LBFGSLineSearch: 25 00:46:36 -52.442695 0.000013 LBFGSLineSearch: 26 00:46:36 -52.442695 0.000000 Minimization converged after 26 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:44 -52.777553 0.033486 LBFGSLineSearch: 1 00:46:46 -52.777695 0.045219 LBFGSLineSearch: 2 00:46:46 -52.777953 0.023572 LBFGSLineSearch: 3 00:46:47 -52.777988 0.014823 LBFGSLineSearch: 4 00:46:47 -52.778010 0.011674 LBFGSLineSearch: 5 00:46:47 -52.778025 0.009629 LBFGSLineSearch: 6 00:46:47 -52.778031 0.005752 LBFGSLineSearch: 7 00:46:48 -52.778036 0.008133 LBFGSLineSearch: 8 00:46:48 -52.778046 0.005946 LBFGSLineSearch: 9 00:46:49 -52.778051 0.008061 LBFGSLineSearch: 10 00:46:50 -52.778057 0.003793 LBFGSLineSearch: 11 00:46:51 -52.778060 0.001863 LBFGSLineSearch: 12 00:46:51 -52.778060 0.001601 LBFGSLineSearch: 13 00:46:52 -52.778061 0.001992 LBFGSLineSearch: 14 00:46:52 -52.778062 0.001270 LBFGSLineSearch: 15 00:46:53 -52.778063 0.000718 LBFGSLineSearch: 16 00:46:53 -52.778063 0.000617 LBFGSLineSearch: 17 00:46:53 -52.778063 0.000440 LBFGSLineSearch: 18 00:46:54 -52.778063 0.000422 LBFGSLineSearch: 19 00:46:55 -52.778063 0.000533 LBFGSLineSearch: 20 00:46:55 -52.778063 0.000295 LBFGSLineSearch: 21 00:46:55 -52.778063 0.000385 LBFGSLineSearch: 22 00:46:55 -52.778063 0.000317 LBFGSLineSearch: 23 00:46:55 -52.778063 0.000166 LBFGSLineSearch: 24 00:46:56 -52.778063 0.000162 LBFGSLineSearch: 25 00:46:56 -52.778063 0.000068 LBFGSLineSearch: 26 00:46:56 -52.778063 0.000073 LBFGSLineSearch: 27 00:46:56 -52.778063 0.000067 LBFGSLineSearch: 28 00:46:57 -52.778063 0.000062 LBFGSLineSearch: 29 00:46:57 -52.778063 0.000051 LBFGSLineSearch: 30 00:46:57 -52.778063 0.000050 LBFGSLineSearch: 31 00:46:58 -52.778063 0.000016 LBFGSLineSearch: 32 00:46:58 -52.778063 0.000001 Minimization converged after 32 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:09 -53.113947 0.033589 LBFGSLineSearch: 1 00:47:09 -53.114089 0.046678 LBFGSLineSearch: 2 00:47:09 -53.114357 0.022901 LBFGSLineSearch: 3 00:47:10 -53.114392 0.015131 LBFGSLineSearch: 4 00:47:10 -53.114416 0.012417 LBFGSLineSearch: 5 00:47:10 -53.114431 0.009846 LBFGSLineSearch: 6 00:47:10 -53.114438 0.006070 LBFGSLineSearch: 7 00:47:10 -53.114443 0.008597 LBFGSLineSearch: 8 00:47:11 -53.114453 0.006156 LBFGSLineSearch: 9 00:47:11 -53.114458 0.008342 LBFGSLineSearch: 10 00:47:11 -53.114465 0.003755 LBFGSLineSearch: 11 00:47:11 -53.114468 0.001685 LBFGSLineSearch: 12 00:47:11 -53.114469 0.001560 LBFGSLineSearch: 13 00:47:11 -53.114469 0.003293 LBFGSLineSearch: 14 00:47:12 -53.114471 0.001187 LBFGSLineSearch: 15 00:47:12 -53.114471 0.000736 LBFGSLineSearch: 16 00:47:12 -53.114472 0.000735 LBFGSLineSearch: 17 00:47:12 -53.114472 0.000441 LBFGSLineSearch: 18 00:47:12 -53.114472 0.000367 LBFGSLineSearch: 19 00:47:13 -53.114472 0.000289 LBFGSLineSearch: 20 00:47:13 -53.114472 0.000411 LBFGSLineSearch: 21 00:47:13 -53.114472 0.000327 LBFGSLineSearch: 22 00:47:13 -53.114472 0.000190 LBFGSLineSearch: 23 00:47:14 -53.114472 0.000200 LBFGSLineSearch: 24 00:47:15 -53.114472 0.000101 LBFGSLineSearch: 25 00:47:15 -53.114472 0.000075 LBFGSLineSearch: 26 00:47:15 -53.114472 0.000044 LBFGSLineSearch: 27 00:47:15 -53.114472 0.000048 LBFGSLineSearch: 28 00:47:15 -53.114472 0.000055 LBFGSLineSearch: 29 00:47:16 -53.114472 0.000000 Minimization converged after 29 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:29 -53.451411 0.033694 LBFGSLineSearch: 1 00:47:29 -53.451552 0.048163 LBFGSLineSearch: 2 00:47:29 -53.451831 0.022149 LBFGSLineSearch: 3 00:47:30 -53.451865 0.015477 LBFGSLineSearch: 4 00:47:30 -53.451892 0.013162 LBFGSLineSearch: 5 00:47:30 -53.451908 0.010017 LBFGSLineSearch: 6 00:47:30 -53.451915 0.006412 LBFGSLineSearch: 7 00:47:30 -53.451921 0.009117 LBFGSLineSearch: 8 00:47:30 -53.451931 0.006270 LBFGSLineSearch: 9 00:47:31 -53.451937 0.008764 LBFGSLineSearch: 10 00:47:31 -53.451944 0.003942 LBFGSLineSearch: 11 00:47:31 -53.451948 0.001711 LBFGSLineSearch: 12 00:47:31 -53.451948 0.001582 LBFGSLineSearch: 13 00:47:31 -53.451949 0.003403 LBFGSLineSearch: 14 00:47:31 -53.451951 0.001178 LBFGSLineSearch: 15 00:47:31 -53.451951 0.000775 LBFGSLineSearch: 16 00:47:31 -53.451951 0.000668 LBFGSLineSearch: 17 00:47:31 -53.451951 0.000451 LBFGSLineSearch: 18 00:47:31 -53.451951 0.000358 LBFGSLineSearch: 19 00:47:31 -53.451951 0.000297 LBFGSLineSearch: 20 00:47:32 -53.451951 0.000408 LBFGSLineSearch: 21 00:47:32 -53.451951 0.000272 LBFGSLineSearch: 22 00:47:32 -53.451951 0.000223 LBFGSLineSearch: 23 00:47:33 -53.451951 0.000237 LBFGSLineSearch: 24 00:47:33 -53.451951 0.000151 LBFGSLineSearch: 25 00:47:33 -53.451951 0.000075 LBFGSLineSearch: 26 00:47:33 -53.451951 0.000047 LBFGSLineSearch: 27 00:47:33 -53.451951 0.000052 LBFGSLineSearch: 28 00:47:34 -53.451951 0.000037 LBFGSLineSearch: 29 00:47:34 -53.451951 0.000000 Minimization converged after 29 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:43 -53.789977 0.033803 LBFGSLineSearch: 1 00:47:44 -53.790117 0.049670 LBFGSLineSearch: 2 00:47:47 -53.790408 0.021325 LBFGSLineSearch: 3 00:47:48 -53.790452 0.020591 LBFGSLineSearch: 4 00:47:48 -53.790490 0.007405 LBFGSLineSearch: 5 00:47:48 -53.790502 0.010039 LBFGSLineSearch: 6 00:47:48 -53.790509 0.006238 LBFGSLineSearch: 7 00:47:48 -53.790518 0.007546 LBFGSLineSearch: 8 00:47:49 -53.790524 0.005022 LBFGSLineSearch: 9 00:47:49 -53.790528 0.005301 LBFGSLineSearch: 10 00:47:49 -53.790531 0.001955 LBFGSLineSearch: 11 00:47:49 -53.790534 0.002136 LBFGSLineSearch: 12 00:47:49 -53.790534 0.001219 LBFGSLineSearch: 13 00:47:50 -53.790534 0.001419 LBFGSLineSearch: 14 00:47:50 -53.790535 0.000480 LBFGSLineSearch: 15 00:47:50 -53.790535 0.000338 LBFGSLineSearch: 16 00:47:50 -53.790535 0.000561 LBFGSLineSearch: 17 00:47:50 -53.790535 0.000329 LBFGSLineSearch: 18 00:47:51 -53.790535 0.000137 LBFGSLineSearch: 19 00:47:51 -53.790535 0.000138 LBFGSLineSearch: 20 00:47:51 -53.790535 0.000064 LBFGSLineSearch: 21 00:47:52 -53.790535 0.000052 LBFGSLineSearch: 22 00:47:52 -53.790535 0.000056 LBFGSLineSearch: 23 00:47:52 -53.790535 0.000016 LBFGSLineSearch: 24 00:47:54 -53.790535 0.000000 Minimization converged after 24 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:03 -54.129683 0.033915 LBFGSLineSearch: 1 00:48:03 -54.129822 0.051204 LBFGSLineSearch: 2 00:48:03 -54.130124 0.021217 LBFGSLineSearch: 3 00:48:04 -54.130171 0.022064 LBFGSLineSearch: 4 00:48:04 -54.130211 0.007771 LBFGSLineSearch: 5 00:48:04 -54.130224 0.009655 LBFGSLineSearch: 6 00:48:04 -54.130231 0.006523 LBFGSLineSearch: 7 00:48:04 -54.130240 0.008090 LBFGSLineSearch: 8 00:48:05 -54.130247 0.005260 LBFGSLineSearch: 9 00:48:05 -54.130252 0.006015 LBFGSLineSearch: 10 00:48:05 -54.130255 0.002019 LBFGSLineSearch: 11 00:48:05 -54.130258 0.002343 LBFGSLineSearch: 12 00:48:05 -54.130258 0.001304 LBFGSLineSearch: 13 00:48:05 -54.130259 0.001631 LBFGSLineSearch: 14 00:48:05 -54.130259 0.000496 LBFGSLineSearch: 15 00:48:06 -54.130259 0.000358 LBFGSLineSearch: 16 00:48:06 -54.130259 0.000554 LBFGSLineSearch: 17 00:48:06 -54.130259 0.000345 LBFGSLineSearch: 18 00:48:06 -54.130259 0.000149 LBFGSLineSearch: 19 00:48:06 -54.130259 0.000108 LBFGSLineSearch: 20 00:48:06 -54.130259 0.000117 LBFGSLineSearch: 21 00:48:06 -54.130259 0.000095 LBFGSLineSearch: 22 00:48:07 -54.130259 0.000051 LBFGSLineSearch: 23 00:48:07 -54.130259 0.000055 LBFGSLineSearch: 24 00:48:07 -54.130259 0.000060 LBFGSLineSearch: 25 00:48:08 -54.130259 0.000013 LBFGSLineSearch: 26 00:48:08 -54.130259 0.000000 Minimization converged after 26 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:20 -54.470567 0.034031 LBFGSLineSearch: 1 00:48:20 -54.470706 0.052765 LBFGSLineSearch: 2 00:48:20 -54.471021 0.021219 LBFGSLineSearch: 3 00:48:21 -54.471069 0.023572 LBFGSLineSearch: 4 00:48:21 -54.471112 0.008170 LBFGSLineSearch: 5 00:48:21 -54.471127 0.008987 LBFGSLineSearch: 6 00:48:21 -54.471133 0.007025 LBFGSLineSearch: 7 00:48:21 -54.471139 0.006914 LBFGSLineSearch: 8 00:48:21 -54.471151 0.004687 LBFGSLineSearch: 9 00:48:21 -54.471157 0.004215 LBFGSLineSearch: 10 00:48:21 -54.471160 0.002801 LBFGSLineSearch: 11 00:48:21 -54.471160 0.001939 LBFGSLineSearch: 12 00:48:21 -54.471161 0.003567 LBFGSLineSearch: 13 00:48:21 -54.471164 0.001305 LBFGSLineSearch: 14 00:48:22 -54.471164 0.001218 LBFGSLineSearch: 15 00:48:22 -54.471164 0.000515 LBFGSLineSearch: 16 00:48:22 -54.471165 0.000378 LBFGSLineSearch: 17 00:48:22 -54.471165 0.000358 LBFGSLineSearch: 18 00:48:23 -54.471165 0.000366 LBFGSLineSearch: 19 00:48:23 -54.471165 0.000406 LBFGSLineSearch: 20 00:48:24 -54.471165 0.000116 LBFGSLineSearch: 21 00:48:24 -54.471165 0.000082 LBFGSLineSearch: 22 00:48:25 -54.471165 0.000056 LBFGSLineSearch: 23 00:48:25 -54.471165 0.000052 LBFGSLineSearch: 24 00:48:26 -54.471165 0.000001 Minimization converged after 24 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:35 -54.812675 0.034151 LBFGSLineSearch: 1 00:48:35 -54.812813 0.054354 LBFGSLineSearch: 2 00:48:35 -54.813141 0.021280 LBFGSLineSearch: 3 00:48:35 -54.813194 0.025048 LBFGSLineSearch: 4 00:48:36 -54.813238 0.008630 LBFGSLineSearch: 5 00:48:36 -54.813255 0.007971 LBFGSLineSearch: 6 00:48:36 -54.813261 0.006516 LBFGSLineSearch: 7 00:48:36 -54.813268 0.007239 LBFGSLineSearch: 8 00:48:36 -54.813281 0.005177 LBFGSLineSearch: 9 00:48:36 -54.813289 0.003225 LBFGSLineSearch: 10 00:48:36 -54.813290 0.002019 LBFGSLineSearch: 11 00:48:37 -54.813292 0.002752 LBFGSLineSearch: 12 00:48:37 -54.813294 0.002896 LBFGSLineSearch: 13 00:48:37 -54.813295 0.001690 LBFGSLineSearch: 14 00:48:37 -54.813295 0.001065 LBFGSLineSearch: 15 00:48:38 -54.813295 0.001111 LBFGSLineSearch: 16 00:48:38 -54.813296 0.000540 LBFGSLineSearch: 17 00:48:38 -54.813296 0.000392 LBFGSLineSearch: 18 00:48:38 -54.813296 0.000667 LBFGSLineSearch: 19 00:48:38 -54.813296 0.000327 LBFGSLineSearch: 20 00:48:38 -54.813296 0.000331 LBFGSLineSearch: 21 00:48:39 -54.813296 0.000519 LBFGSLineSearch: 22 00:48:39 -54.813296 0.000115 LBFGSLineSearch: 23 00:48:39 -54.813296 0.000056 LBFGSLineSearch: 24 00:48:39 -54.813296 0.000042 LBFGSLineSearch: 25 00:48:40 -54.813296 0.000021 LBFGSLineSearch: 26 00:48:40 -54.813296 0.000000 Minimization converged after 26 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:48 -55.156056 0.034276 LBFGSLineSearch: 1 00:48:48 -55.156193 0.055984 LBFGSLineSearch: 2 00:48:49 -55.156534 0.021394 LBFGSLineSearch: 3 00:48:49 -55.156593 0.026383 LBFGSLineSearch: 4 00:48:50 -55.156638 0.009143 LBFGSLineSearch: 5 00:48:50 -55.156658 0.006581 LBFGSLineSearch: 6 00:48:50 -55.156664 0.006196 LBFGSLineSearch: 7 00:48:50 -55.156671 0.007565 LBFGSLineSearch: 8 00:48:50 -55.156686 0.005482 LBFGSLineSearch: 9 00:48:51 -55.156694 0.002586 LBFGSLineSearch: 10 00:48:51 -55.156696 0.002072 LBFGSLineSearch: 11 00:48:51 -55.156698 0.002054 LBFGSLineSearch: 12 00:48:51 -55.156700 0.002094 LBFGSLineSearch: 13 00:48:52 -55.156701 0.001625 LBFGSLineSearch: 14 00:48:52 -55.156701 0.001164 LBFGSLineSearch: 15 00:48:52 -55.156702 0.000895 LBFGSLineSearch: 16 00:48:52 -55.156702 0.000568 LBFGSLineSearch: 17 00:48:52 -55.156702 0.000426 LBFGSLineSearch: 18 00:48:52 -55.156702 0.000476 LBFGSLineSearch: 19 00:48:52 -55.156702 0.000327 LBFGSLineSearch: 20 00:48:53 -55.156702 0.000337 LBFGSLineSearch: 21 00:48:53 -55.156703 0.000332 LBFGSLineSearch: 22 00:48:53 -55.156703 0.000123 LBFGSLineSearch: 23 00:48:53 -55.156703 0.000054 LBFGSLineSearch: 24 00:48:53 -55.156703 0.000097 LBFGSLineSearch: 25 00:48:53 -55.156703 0.000071 LBFGSLineSearch: 26 00:48:53 -55.156703 0.000006 Minimization converged after 26 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:02 -55.500765 0.034410 LBFGSLineSearch: 1 00:49:02 -55.500901 0.057678 LBFGSLineSearch: 2 00:49:02 -55.501255 0.021565 LBFGSLineSearch: 3 00:49:03 -55.501322 0.027403 LBFGSLineSearch: 4 00:49:03 -55.501368 0.009684 LBFGSLineSearch: 5 00:49:03 -55.501390 0.005541 LBFGSLineSearch: 6 00:49:04 -55.501396 0.006080 LBFGSLineSearch: 7 00:49:05 -55.501404 0.007661 LBFGSLineSearch: 8 00:49:05 -55.501420 0.005813 LBFGSLineSearch: 9 00:49:06 -55.501430 0.002584 LBFGSLineSearch: 10 00:49:06 -55.501433 0.002221 LBFGSLineSearch: 11 00:49:06 -55.501434 0.002119 LBFGSLineSearch: 12 00:49:06 -55.501437 0.002167 LBFGSLineSearch: 13 00:49:06 -55.501438 0.001706 LBFGSLineSearch: 14 00:49:07 -55.501438 0.001332 LBFGSLineSearch: 15 00:49:07 -55.501439 0.000999 LBFGSLineSearch: 16 00:49:07 -55.501439 0.000604 LBFGSLineSearch: 17 00:49:08 -55.501439 0.000465 LBFGSLineSearch: 18 00:49:08 -55.501440 0.000653 LBFGSLineSearch: 19 00:49:08 -55.501440 0.000389 LBFGSLineSearch: 20 00:49:08 -55.501440 0.000336 LBFGSLineSearch: 21 00:49:09 -55.501440 0.000462 LBFGSLineSearch: 22 00:49:09 -55.501440 0.000131 LBFGSLineSearch: 23 00:49:09 -55.501440 0.000055 LBFGSLineSearch: 24 00:49:10 -55.501440 0.000122 LBFGSLineSearch: 25 00:49:10 -55.501440 0.000003 Minimization converged after 25 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:18 -55.846862 0.034544 LBFGSLineSearch: 1 00:49:19 -55.846998 0.059353 LBFGSLineSearch: 2 00:49:19 -55.847366 0.021850 LBFGSLineSearch: 3 00:49:19 -55.847443 0.028073 LBFGSLineSearch: 4 00:49:19 -55.847489 0.010254 LBFGSLineSearch: 5 00:49:19 -55.847513 0.007017 LBFGSLineSearch: 6 00:49:19 -55.847520 0.005945 LBFGSLineSearch: 7 00:49:20 -55.847529 0.009430 LBFGSLineSearch: 8 00:49:20 -55.847547 0.006193 LBFGSLineSearch: 9 00:49:20 -55.847558 0.002918 LBFGSLineSearch: 10 00:49:20 -55.847561 0.002500 LBFGSLineSearch: 11 00:49:21 -55.847563 0.002852 LBFGSLineSearch: 12 00:49:21 -55.847567 0.002909 LBFGSLineSearch: 13 00:49:21 -55.847568 0.001797 LBFGSLineSearch: 14 00:49:21 -55.847568 0.001652 LBFGSLineSearch: 15 00:49:21 -55.847569 0.001790 LBFGSLineSearch: 16 00:49:21 -55.847569 0.000647 LBFGSLineSearch: 17 00:49:22 -55.847569 0.000510 LBFGSLineSearch: 18 00:49:22 -55.847569 0.000933 LBFGSLineSearch: 19 00:49:22 -55.847569 0.000556 LBFGSLineSearch: 20 00:49:22 -55.847570 0.000476 LBFGSLineSearch: 21 00:49:22 -55.847570 0.000263 LBFGSLineSearch: 22 00:49:22 -55.847570 0.000135 LBFGSLineSearch: 23 00:49:22 -55.847570 0.000191 LBFGSLineSearch: 24 00:49:23 -55.847570 0.000055 LBFGSLineSearch: 25 00:49:23 -55.847570 0.000006 Minimization converged after 25 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:31 -56.194419 0.034685 LBFGSLineSearch: 1 00:49:31 -56.194553 0.061111 LBFGSLineSearch: 2 00:49:32 -56.194937 0.022185 LBFGSLineSearch: 3 00:49:32 -56.195026 0.028282 LBFGSLineSearch: 4 00:49:32 -56.195062 0.012061 LBFGSLineSearch: 5 00:49:32 -56.195079 0.009901 LBFGSLineSearch: 6 00:49:33 -56.195094 0.012722 LBFGSLineSearch: 7 00:49:33 -56.195111 0.007740 LBFGSLineSearch: 8 00:49:33 -56.195135 0.006930 LBFGSLineSearch: 9 00:49:33 -56.195143 0.008903 LBFGSLineSearch: 10 00:49:34 -56.195152 0.002628 LBFGSLineSearch: 11 00:49:34 -56.195157 0.003707 LBFGSLineSearch: 12 00:49:34 -56.195159 0.002189 LBFGSLineSearch: 13 00:49:34 -56.195160 0.001867 LBFGSLineSearch: 14 00:49:35 -56.195161 0.001953 LBFGSLineSearch: 15 00:49:35 -56.195161 0.000743 LBFGSLineSearch: 16 00:49:36 -56.195162 0.000563 LBFGSLineSearch: 17 00:49:36 -56.195162 0.000631 LBFGSLineSearch: 18 00:49:36 -56.195162 0.000383 LBFGSLineSearch: 19 00:49:36 -56.195162 0.000436 LBFGSLineSearch: 20 00:49:37 -56.195162 0.000258 LBFGSLineSearch: 21 00:49:37 -56.195162 0.000165 LBFGSLineSearch: 22 00:49:37 -56.195162 0.000200 LBFGSLineSearch: 23 00:49:38 -56.195162 0.000057 LBFGSLineSearch: 24 00:49:38 -56.195162 0.000004 Minimization converged after 24 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:47 -56.543512 0.034837 LBFGSLineSearch: 1 00:49:48 -56.543645 0.062937 LBFGSLineSearch: 2 00:49:48 -56.544045 0.022618 LBFGSLineSearch: 3 00:49:48 -56.544148 0.028381 LBFGSLineSearch: 4 00:49:48 -56.544186 0.010586 LBFGSLineSearch: 5 00:49:48 -56.544202 0.010493 LBFGSLineSearch: 6 00:49:48 -56.544220 0.012901 LBFGSLineSearch: 7 00:49:49 -56.544238 0.008021 LBFGSLineSearch: 8 00:49:49 -56.544265 0.008749 LBFGSLineSearch: 9 00:49:49 -56.544273 0.010074 LBFGSLineSearch: 10 00:49:49 -56.544285 0.003025 LBFGSLineSearch: 11 00:49:49 -56.544291 0.003187 LBFGSLineSearch: 12 00:49:49 -56.544293 0.001900 LBFGSLineSearch: 13 00:49:49 -56.544294 0.002244 LBFGSLineSearch: 14 00:49:49 -56.544295 0.002479 LBFGSLineSearch: 15 00:49:49 -56.544296 0.000827 LBFGSLineSearch: 16 00:49:50 -56.544296 0.000589 LBFGSLineSearch: 17 00:49:50 -56.544296 0.001002 LBFGSLineSearch: 18 00:49:50 -56.544297 0.000545 LBFGSLineSearch: 19 00:49:50 -56.544297 0.000711 LBFGSLineSearch: 20 00:49:50 -56.544297 0.000271 LBFGSLineSearch: 21 00:49:51 -56.544297 0.000187 LBFGSLineSearch: 22 00:49:51 -56.544297 0.000234 LBFGSLineSearch: 23 00:49:51 -56.544297 0.000058 LBFGSLineSearch: 24 00:49:51 -56.544297 0.000004 Minimization converged after 24 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:59 -56.894232 0.034993 LBFGSLineSearch: 1 00:49:59 -56.894364 0.064769 LBFGSLineSearch: 2 00:49:59 -56.894780 0.023164 LBFGSLineSearch: 3 00:50:00 -56.894898 0.031775 LBFGSLineSearch: 4 00:50:00 -56.894940 0.011429 LBFGSLineSearch: 5 00:50:00 -56.894956 0.011136 LBFGSLineSearch: 6 00:50:00 -56.894977 0.015758 LBFGSLineSearch: 7 00:50:00 -56.894996 0.007712 LBFGSLineSearch: 8 00:50:00 -56.895027 0.009358 LBFGSLineSearch: 9 00:50:01 -56.895036 0.009517 LBFGSLineSearch: 10 00:50:01 -56.895051 0.003365 LBFGSLineSearch: 11 00:50:01 -56.895058 0.005379 LBFGSLineSearch: 12 00:50:01 -56.895060 0.002259 LBFGSLineSearch: 13 00:50:02 -56.895061 0.003943 LBFGSLineSearch: 14 00:50:02 -56.895063 0.001013 LBFGSLineSearch: 15 00:50:02 -56.895064 0.000925 LBFGSLineSearch: 16 00:50:02 -56.895064 0.001297 LBFGSLineSearch: 17 00:50:02 -56.895064 0.000658 LBFGSLineSearch: 18 00:50:02 -56.895064 0.000539 LBFGSLineSearch: 19 00:50:02 -56.895064 0.000356 LBFGSLineSearch: 20 00:50:02 -56.895064 0.000218 LBFGSLineSearch: 21 00:50:02 -56.895064 0.000258 LBFGSLineSearch: 22 00:50:03 -56.895065 0.000059 LBFGSLineSearch: 23 00:50:03 -56.895065 0.000030 LBFGSLineSearch: 24 00:50:03 -56.895065 0.000001 Minimization converged after 24 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:09 -57.246683 0.035162 LBFGSLineSearch: 1 00:50:09 -57.246814 0.066732 LBFGSLineSearch: 2 00:50:10 -57.247249 0.023814 LBFGSLineSearch: 3 00:50:10 -57.247379 0.038334 LBFGSLineSearch: 4 00:50:10 -57.247429 0.012912 LBFGSLineSearch: 5 00:50:10 -57.247448 0.011885 LBFGSLineSearch: 6 00:50:10 -57.247471 0.018332 LBFGSLineSearch: 7 00:50:11 -57.247493 0.008030 LBFGSLineSearch: 8 00:50:11 -57.247527 0.009394 LBFGSLineSearch: 9 00:50:11 -57.247538 0.009371 LBFGSLineSearch: 10 00:50:12 -57.247555 0.003546 LBFGSLineSearch: 11 00:50:12 -57.247566 0.003807 LBFGSLineSearch: 12 00:50:12 -57.247567 0.002349 LBFGSLineSearch: 13 00:50:12 -57.247568 0.004786 LBFGSLineSearch: 14 00:50:13 -57.247570 0.001097 LBFGSLineSearch: 15 00:50:13 -57.247571 0.000632 LBFGSLineSearch: 16 00:50:14 -57.247571 0.000964 LBFGSLineSearch: 17 00:50:14 -57.247571 0.000574 LBFGSLineSearch: 18 00:50:14 -57.247572 0.000559 LBFGSLineSearch: 19 00:50:14 -57.247572 0.000656 LBFGSLineSearch: 20 00:50:15 -57.247572 0.000240 LBFGSLineSearch: 21 00:50:15 -57.247572 0.000178 LBFGSLineSearch: 22 00:50:15 -57.247572 0.000068 LBFGSLineSearch: 23 00:50:16 -57.247572 0.000061 LBFGSLineSearch: 24 00:50:16 -57.247572 0.000001 Minimization converged after 24 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:23 -57.600990 0.035342 LBFGSLineSearch: 1 00:50:23 -57.601120 0.068174 LBFGSLineSearch: 2 00:50:23 -57.601579 0.025007 LBFGSLineSearch: 3 00:50:23 -57.601726 0.043131 LBFGSLineSearch: 4 00:50:23 -57.601786 0.014923 LBFGSLineSearch: 5 00:50:23 -57.601809 0.012835 LBFGSLineSearch: 6 00:50:23 -57.601835 0.019431 LBFGSLineSearch: 7 00:50:23 -57.601859 0.008215 LBFGSLineSearch: 8 00:50:24 -57.601897 0.009969 LBFGSLineSearch: 9 00:50:24 -57.601908 0.009801 LBFGSLineSearch: 10 00:50:24 -57.601929 0.003901 LBFGSLineSearch: 11 00:50:24 -57.601941 0.006365 LBFGSLineSearch: 12 00:50:24 -57.601943 0.002499 LBFGSLineSearch: 13 00:50:24 -57.601945 0.005966 LBFGSLineSearch: 14 00:50:24 -57.601948 0.001210 LBFGSLineSearch: 15 00:50:25 -57.601948 0.001364 LBFGSLineSearch: 16 00:50:25 -57.601948 0.000792 LBFGSLineSearch: 17 00:50:25 -57.601949 0.001261 LBFGSLineSearch: 18 00:50:25 -57.601949 0.000537 LBFGSLineSearch: 19 00:50:26 -57.601949 0.000624 LBFGSLineSearch: 20 00:50:26 -57.601949 0.000755 LBFGSLineSearch: 21 00:50:26 -57.601949 0.000210 LBFGSLineSearch: 22 00:50:27 -57.601949 0.000073 LBFGSLineSearch: 23 00:50:27 -57.601949 0.000075 LBFGSLineSearch: 24 00:50:28 -57.601949 0.000006 Minimization converged after 24 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:37 -57.957314 0.035537 LBFGSLineSearch: 1 00:50:37 -57.957450 0.057371 LBFGSLineSearch: 2 00:50:37 -57.957884 0.041241 LBFGSLineSearch: 3 00:50:37 -57.958022 0.046556 LBFGSLineSearch: 4 00:50:37 -57.958121 0.022093 LBFGSLineSearch: 5 00:50:38 -57.958213 0.014646 LBFGSLineSearch: 6 00:50:38 -57.958240 0.020614 LBFGSLineSearch: 7 00:50:38 -57.958269 0.010044 LBFGSLineSearch: 8 00:50:38 -57.958312 0.010516 LBFGSLineSearch: 9 00:50:38 -57.958325 0.013038 LBFGSLineSearch: 10 00:50:38 -57.958345 0.003822 LBFGSLineSearch: 11 00:50:39 -57.958357 0.008392 LBFGSLineSearch: 12 00:50:39 -57.958361 0.004203 LBFGSLineSearch: 13 00:50:39 -57.958362 0.002643 LBFGSLineSearch: 14 00:50:39 -57.958364 0.004619 LBFGSLineSearch: 15 00:50:39 -57.958367 0.001164 LBFGSLineSearch: 16 00:50:39 -57.958368 0.000874 LBFGSLineSearch: 17 00:50:40 -57.958368 0.000892 LBFGSLineSearch: 18 00:50:40 -57.958369 0.000754 LBFGSLineSearch: 19 00:50:40 -57.958369 0.000670 LBFGSLineSearch: 20 00:50:40 -57.958369 0.000611 LBFGSLineSearch: 21 00:50:40 -57.958369 0.000281 LBFGSLineSearch: 22 00:50:40 -57.958369 0.000218 LBFGSLineSearch: 23 00:50:40 -57.958369 0.000141 LBFGSLineSearch: 24 00:50:40 -57.958369 0.000111 LBFGSLineSearch: 25 00:50:40 -57.958369 0.000099 LBFGSLineSearch: 26 00:50:41 -57.958369 0.000087 LBFGSLineSearch: 27 00:50:41 -57.958369 0.000084 LBFGSLineSearch: 28 00:50:42 -57.958369 0.000000 Minimization converged after 28 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:50 -58.315885 0.035752 LBFGSLineSearch: 1 00:50:50 -58.316040 0.045301 LBFGSLineSearch: 2 00:50:50 -58.316447 0.031144 LBFGSLineSearch: 3 00:50:50 -58.316781 0.046325 LBFGSLineSearch: 4 00:50:51 -58.316887 0.020440 LBFGSLineSearch: 5 00:50:51 -58.316915 0.014850 LBFGSLineSearch: 6 00:50:51 -58.316951 0.024809 LBFGSLineSearch: 7 00:50:51 -58.316984 0.018332 LBFGSLineSearch: 8 00:50:51 -58.317003 0.010808 LBFGSLineSearch: 9 00:50:51 -58.317019 0.022463 LBFGSLineSearch: 10 00:50:51 -58.317069 0.008279 LBFGSLineSearch: 11 00:50:51 -58.317083 0.008704 LBFGSLineSearch: 12 00:50:52 -58.317092 0.009202 LBFGSLineSearch: 13 00:50:52 -58.317101 0.009430 LBFGSLineSearch: 14 00:50:52 -58.317105 0.005303 LBFGSLineSearch: 15 00:50:52 -58.317108 0.004652 LBFGSLineSearch: 16 00:50:52 -58.317112 0.006015 LBFGSLineSearch: 17 00:50:52 -58.317120 0.004927 LBFGSLineSearch: 18 00:50:53 -58.317123 0.003403 LBFGSLineSearch: 19 00:50:53 -58.317126 0.004263 LBFGSLineSearch: 20 00:50:53 -58.317129 0.005993 LBFGSLineSearch: 21 00:50:53 -58.317130 0.002050 LBFGSLineSearch: 22 00:50:53 -58.317131 0.002636 LBFGSLineSearch: 23 00:50:53 -58.317131 0.002877 LBFGSLineSearch: 24 00:50:54 -58.317132 0.002212 LBFGSLineSearch: 25 00:50:54 -58.317132 0.003096 LBFGSLineSearch: 26 00:50:54 -58.317134 0.002882 LBFGSLineSearch: 27 00:50:55 -58.317136 0.006442 LBFGSLineSearch: 28 00:50:55 -58.319426 0.129329 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 28 steps. Final forces: [[-1.08969895e-01 1.07763699e-20 1.52922363e-02] [ 1.08969895e-01 -1.07763699e-20 -1.52922363e-02] [ 2.01302116e-02 -5.02384843e-21 -5.60973860e-03] [-2.01302116e-02 5.02384843e-21 5.60973860e-03] [ 7.23457974e-02 1.08284192e-19 9.58345982e-02] [-7.23457974e-02 -1.08284192e-19 -9.58345982e-02] [ 1.03296138e-02 1.99334926e-20 1.77897377e-02] [-1.03296138e-02 -1.99334926e-20 -1.77897377e-02] [ 1.04377985e-02 -9.62972933e-20 -8.89300736e-02] [-1.04377985e-02 9.62972933e-20 8.89300736e-02]] Final stress: [ 9.55152069e-02 8.56082339e-02 8.98447194e-02 5.31259105e-22 -1.08647726e-03 -4.85993803e-21] Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:01 -58.681887 0.165575 LBFGSLineSearch: 1 00:51:01 -58.684890 0.218654 LBFGSLineSearch: 2 00:51:02 -58.696252 0.242382 LBFGSLineSearch: 3 00:51:02 -58.704504 0.132532 LBFGSLineSearch: 4 00:51:02 -58.705294 0.089097 LBFGSLineSearch: 5 00:51:02 -58.705947 0.102968 LBFGSLineSearch: 6 00:51:02 -58.706649 0.076598 LBFGSLineSearch: 7 00:51:03 -58.707017 0.054240 LBFGSLineSearch: 8 00:51:03 -58.707652 0.082973 LBFGSLineSearch: 9 00:51:03 -58.708514 0.044589 LBFGSLineSearch: 10 00:51:04 -58.708665 0.047744 LBFGSLineSearch: 11 00:51:04 -58.708881 0.021068 LBFGSLineSearch: 12 00:51:04 -58.708925 0.020145 LBFGSLineSearch: 13 00:51:04 -58.709038 0.009500 LBFGSLineSearch: 14 00:51:05 -58.709077 0.009427 LBFGSLineSearch: 15 00:51:06 -58.709109 0.011278 LBFGSLineSearch: 16 00:51:06 -58.709164 0.005963 LBFGSLineSearch: 17 00:51:06 -58.709180 0.005692 LBFGSLineSearch: 18 00:51:07 -58.709191 0.005576 LBFGSLineSearch: 19 00:51:07 -58.709226 0.004512 LBFGSLineSearch: 20 00:51:07 -58.709229 0.002657 LBFGSLineSearch: 21 00:51:08 -58.709231 0.002814 LBFGSLineSearch: 22 00:51:09 -58.709233 0.000959 LBFGSLineSearch: 23 00:51:09 -58.709234 0.000402 LBFGSLineSearch: 24 00:51:10 -58.709234 0.000354 LBFGSLineSearch: 25 00:51:10 -58.709234 0.000338 LBFGSLineSearch: 26 00:51:10 -58.709234 0.000344 LBFGSLineSearch: 27 00:51:11 -58.709234 0.000307 LBFGSLineSearch: 28 00:51:11 -58.709235 0.000200 LBFGSLineSearch: 29 00:51:11 -58.709235 0.000079 LBFGSLineSearch: 30 00:51:11 -58.709235 0.000071 LBFGSLineSearch: 31 00:51:12 -58.709235 0.000045 LBFGSLineSearch: 32 00:51:12 -58.709235 0.000019 LBFGSLineSearch: 33 00:51:12 -58.709235 0.000006 Minimization converged after 33 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:19 -59.077309 0.036809 LBFGSLineSearch: 1 00:51:19 -59.077484 0.063360 LBFGSLineSearch: 2 00:51:19 -59.077828 0.043175 LBFGSLineSearch: 3 00:51:19 -59.078055 0.036956 LBFGSLineSearch: 4 00:51:19 -59.078432 0.046057 LBFGSLineSearch: 5 00:51:20 -59.282585 0.284645 LBFGSLineSearch: 6 00:51:21 -59.282588 0.277747 LBFGSLineSearch: 7 00:51:21 -59.292946 0.204945 LBFGSLineSearch: 8 00:51:21 -59.305767 0.148833 LBFGSLineSearch: 9 00:51:21 -59.307594 0.135989 LBFGSLineSearch: 10 00:51:21 -59.310303 0.176110 LBFGSLineSearch: 11 00:51:22 -59.311452 0.084263 LBFGSLineSearch: 12 00:51:22 -59.311948 0.046562 LBFGSLineSearch: 13 00:51:23 -59.312579 0.070569 LBFGSLineSearch: 14 00:51:23 -59.312850 0.039908 LBFGSLineSearch: 15 00:51:23 -59.312918 0.018335 LBFGSLineSearch: 16 00:51:23 -59.312993 0.023935 LBFGSLineSearch: 17 00:51:23 -59.313239 0.017991 LBFGSLineSearch: 18 00:51:23 -59.313329 0.043413 LBFGSLineSearch: 19 00:51:23 -59.313402 0.021363 LBFGSLineSearch: 20 00:51:23 -59.313428 0.023375 LBFGSLineSearch: 21 00:51:24 -59.313472 0.022059 LBFGSLineSearch: 22 00:51:24 -59.313475 0.003439 LBFGSLineSearch: 23 00:51:24 -59.313477 0.021312 LBFGSLineSearch: 24 00:51:24 -59.313486 0.005255 LBFGSLineSearch: 25 00:51:24 -59.313487 0.008855 LBFGSLineSearch: 26 00:51:25 -59.313494 0.001822 LBFGSLineSearch: 27 00:51:25 -59.313494 0.000762 LBFGSLineSearch: 28 00:51:25 -59.313494 0.002275 LBFGSLineSearch: 29 00:51:25 -59.313495 0.000477 LBFGSLineSearch: 30 00:51:26 -59.313495 0.000036 LBFGSLineSearch: 31 00:51:26 -59.313495 0.000147 LBFGSLineSearch: 32 00:51:26 -59.313495 0.000009 Minimization converged after 32 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:32 -59.692638 0.037912 LBFGSLineSearch: 1 00:51:33 -59.692680 0.061533 LBFGSLineSearch: 2 00:51:33 -59.692737 0.053661 LBFGSLineSearch: 3 00:51:33 -59.692890 0.117956 LBFGSLineSearch: 4 00:51:33 -59.693175 0.074276 LBFGSLineSearch: 5 00:51:34 -59.693363 0.033648 LBFGSLineSearch: 6 00:51:34 -59.693623 0.017550 LBFGSLineSearch: 7 00:51:34 -59.693695 0.032327 LBFGSLineSearch: 8 00:51:34 -59.694005 0.025289 LBFGSLineSearch: 9 00:51:34 -59.694058 0.027400 LBFGSLineSearch: 10 00:51:34 -59.694227 0.016106 LBFGSLineSearch: 11 00:51:35 -59.694282 0.015459 LBFGSLineSearch: 12 00:51:35 -59.694335 0.022855 LBFGSLineSearch: 13 00:51:35 -59.694441 0.009803 LBFGSLineSearch: 14 00:51:35 -59.694467 0.008501 LBFGSLineSearch: 15 00:51:36 -59.694497 0.004877 LBFGSLineSearch: 16 00:51:36 -59.694502 0.004061 LBFGSLineSearch: 17 00:51:36 -59.694507 0.005706 LBFGSLineSearch: 18 00:51:36 -59.694510 0.003377 LBFGSLineSearch: 19 00:51:36 -59.694511 0.001645 LBFGSLineSearch: 20 00:51:36 -59.694512 0.004103 LBFGSLineSearch: 21 00:51:36 -59.694514 0.001383 LBFGSLineSearch: 22 00:51:36 -59.694515 0.001795 LBFGSLineSearch: 23 00:51:36 -59.694517 0.000599 LBFGSLineSearch: 24 00:51:36 -59.694517 0.000528 LBFGSLineSearch: 25 00:51:37 -59.694517 0.000551 LBFGSLineSearch: 26 00:51:37 -59.694518 0.000153 LBFGSLineSearch: 27 00:51:37 -59.694518 0.000034 LBFGSLineSearch: 28 00:51:37 -59.694518 0.000024 LBFGSLineSearch: 29 00:51:37 -59.694518 0.000018 LBFGSLineSearch: 30 00:51:37 -59.694518 0.000001 Minimization converged after 30 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:45 -60.078370 0.038385 LBFGSLineSearch: 1 00:51:45 -60.078413 0.065680 LBFGSLineSearch: 2 00:51:45 -60.078467 0.051830 LBFGSLineSearch: 3 00:51:45 -60.078629 0.120148 LBFGSLineSearch: 4 00:51:46 -60.078971 0.079694 LBFGSLineSearch: 5 00:51:46 -60.079201 0.046545 LBFGSLineSearch: 6 00:51:46 -60.079662 0.027947 LBFGSLineSearch: 7 00:51:47 -60.079859 0.058358 LBFGSLineSearch: 8 00:51:47 -60.081965 0.105286 LBFGSLineSearch: 9 00:51:47 -60.083437 0.130407 LBFGSLineSearch: 10 00:51:48 -60.084842 0.172471 LBFGSLineSearch: 11 00:51:48 -60.088862 0.207640 LBFGSLineSearch: 12 00:51:48 -60.099835 0.282757 LBFGSLineSearch: 13 00:51:48 -60.112539 0.245302 LBFGSLineSearch: 14 00:51:48 -60.113437 0.247024 LBFGSLineSearch: 15 00:51:48 -60.121319 0.299306 LBFGSLineSearch: 16 00:51:49 -60.128638 0.424412 LBFGSLineSearch: 17 00:51:49 -60.146300 0.363808 LBFGSLineSearch: 18 00:51:49 -60.163442 0.476391 LBFGSLineSearch: 19 00:51:49 -60.180801 0.378481 LBFGSLineSearch: 20 00:51:49 -60.196456 0.612008 LBFGSLineSearch: 21 00:51:49 -60.206557 0.517402 LBFGSLineSearch: 22 00:51:49 -60.249155 0.957967 LBFGSLineSearch: 23 00:51:49 -60.278387 0.361577 LBFGSLineSearch: 24 00:51:50 -60.285970 0.445630 LBFGSLineSearch: 25 00:51:50 -60.297192 0.582699 LBFGSLineSearch: 26 00:51:50 -60.336975 0.533939 LBFGSLineSearch: 27 00:51:50 -60.358713 0.408717 LBFGSLineSearch: 28 00:51:50 -60.369937 0.332098 LBFGSLineSearch: 29 00:51:50 -60.376557 0.271059 LBFGSLineSearch: 30 00:51:50 -60.390425 0.258832 LBFGSLineSearch: 31 00:51:51 -60.398815 0.357491 LBFGSLineSearch: 32 00:51:51 -60.401271 0.209733 LBFGSLineSearch: 33 00:51:51 -60.408580 0.303996 LBFGSLineSearch: 34 00:51:51 -60.417557 0.413829 LBFGSLineSearch: 35 00:51:51 -60.421461 0.291511 LBFGSLineSearch: 36 00:51:51 -60.427695 0.289790 LBFGSLineSearch: 37 00:51:52 -60.439860 0.086721 LBFGSLineSearch: 38 00:51:52 -60.707184 6.672164 LBFGSLineSearch: 39 00:51:52 -60.707208 6.700127 LBFGSLineSearch: 40 00:51:52 -60.729052 4.613928 LBFGSLineSearch: 41 00:51:52 -60.819725 1.066952 LBFGSLineSearch: 42 00:51:52 -60.834121 0.828075 LBFGSLineSearch: 43 00:51:53 -60.843057 0.251096 LBFGSLineSearch: 44 00:51:54 -60.845813 0.132948 LBFGSLineSearch: 45 00:51:54 -60.848054 0.135043 LBFGSLineSearch: 46 00:51:54 -60.850169 0.257045 LBFGSLineSearch: 47 00:51:55 -60.852938 0.294421 LBFGSLineSearch: 48 00:51:55 -60.853421 0.096226 LBFGSLineSearch: 49 00:51:55 -60.853736 0.052964 LBFGSLineSearch: 50 00:51:56 -60.854178 0.101208 LBFGSLineSearch: 51 00:51:56 -60.854375 0.073355 LBFGSLineSearch: 52 00:51:56 -60.854519 0.144045 LBFGSLineSearch: 53 00:51:56 -60.854580 0.067666 LBFGSLineSearch: 54 00:51:57 -60.854678 0.078498 LBFGSLineSearch: 55 00:51:57 -60.854913 0.023870 LBFGSLineSearch: 56 00:51:57 -60.854937 0.012133 LBFGSLineSearch: 57 00:51:58 -60.854942 0.009331 LBFGSLineSearch: 58 00:51:58 -60.854949 0.026572 LBFGSLineSearch: 59 00:51:58 -60.855004 0.009140 LBFGSLineSearch: 60 00:51:58 -60.855007 0.002250 LBFGSLineSearch: 61 00:51:59 -60.855007 0.002118 LBFGSLineSearch: 62 00:52:00 -60.855007 0.000972 LBFGSLineSearch: 63 00:52:00 -60.855008 0.000113 LBFGSLineSearch: 64 00:52:00 -60.855008 0.000007 Minimization converged after 64 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:06 -61.307283 0.045229 LBFGSLineSearch: 1 00:52:06 -61.307325 0.140915 LBFGSLineSearch: 2 00:52:07 -61.307424 0.075635 LBFGSLineSearch: 3 00:52:07 -61.307662 0.034800 LBFGSLineSearch: 4 00:52:07 -61.307757 0.018372 LBFGSLineSearch: 5 00:52:07 -61.307779 0.010317 LBFGSLineSearch: 6 00:52:07 -61.307792 0.010693 LBFGSLineSearch: 7 00:52:07 -61.307807 0.016048 LBFGSLineSearch: 8 00:52:07 -61.307824 0.015667 LBFGSLineSearch: 9 00:52:08 -61.307829 0.005039 LBFGSLineSearch: 10 00:52:08 -61.307833 0.007975 LBFGSLineSearch: 11 00:52:08 -61.307842 0.013042 LBFGSLineSearch: 12 00:52:08 -61.307845 0.003914 LBFGSLineSearch: 13 00:52:08 -61.307846 0.002764 LBFGSLineSearch: 14 00:52:08 -61.307847 0.007511 LBFGSLineSearch: 15 00:52:09 -61.307849 0.000813 LBFGSLineSearch: 16 00:52:09 -61.307850 0.001552 LBFGSLineSearch: 17 00:52:09 -61.307850 0.000852 LBFGSLineSearch: 18 00:52:10 -61.307850 0.000411 LBFGSLineSearch: 19 00:52:10 -61.307850 0.000292 LBFGSLineSearch: 20 00:52:10 -61.307850 0.000750 LBFGSLineSearch: 21 00:52:10 -61.307850 0.000273 LBFGSLineSearch: 22 00:52:11 -61.307850 0.000305 LBFGSLineSearch: 23 00:52:11 -61.307850 0.000027 LBFGSLineSearch: 24 00:52:12 -61.307850 0.000016 LBFGSLineSearch: 25 00:52:12 -61.307850 0.000012 LBFGSLineSearch: 26 00:52:12 -61.307850 0.000000 Minimization converged after 26 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:19 -61.761262 0.045341 LBFGSLineSearch: 1 00:52:19 -61.761303 0.142125 LBFGSLineSearch: 2 00:52:20 -61.761399 0.078328 LBFGSLineSearch: 3 00:52:20 -61.761641 0.034565 LBFGSLineSearch: 4 00:52:20 -61.761738 0.018243 LBFGSLineSearch: 5 00:52:20 -61.761760 0.010974 LBFGSLineSearch: 6 00:52:20 -61.761774 0.011189 LBFGSLineSearch: 7 00:52:20 -61.761791 0.018600 LBFGSLineSearch: 8 00:52:20 -61.761813 0.004408 LBFGSLineSearch: 9 00:52:21 -61.761817 0.009828 LBFGSLineSearch: 10 00:52:21 -61.761827 0.008651 LBFGSLineSearch: 11 00:52:21 -61.761831 0.003988 LBFGSLineSearch: 12 00:52:21 -61.761832 0.003011 LBFGSLineSearch: 13 00:52:21 -61.761834 0.003925 LBFGSLineSearch: 14 00:52:22 -61.761836 0.001006 LBFGSLineSearch: 15 00:52:22 -61.761837 0.002166 LBFGSLineSearch: 16 00:52:22 -61.761837 0.001200 LBFGSLineSearch: 17 00:52:22 -61.761837 0.000428 LBFGSLineSearch: 18 00:52:23 -61.761837 0.000670 LBFGSLineSearch: 19 00:52:23 -61.761837 0.000347 LBFGSLineSearch: 20 00:52:23 -61.761837 0.000432 LBFGSLineSearch: 21 00:52:24 -61.761837 0.000033 LBFGSLineSearch: 22 00:52:24 -61.761837 0.000075 LBFGSLineSearch: 23 00:52:24 -61.761837 0.000020 LBFGSLineSearch: 24 00:52:25 -61.761837 0.000000 Minimization converged after 24 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:32 -62.216403 0.045457 LBFGSLineSearch: 1 00:52:32 -62.216444 0.143384 LBFGSLineSearch: 2 00:52:32 -62.216537 0.083138 LBFGSLineSearch: 3 00:52:32 -62.216784 0.034654 LBFGSLineSearch: 4 00:52:33 -62.216883 0.018302 LBFGSLineSearch: 5 00:52:33 -62.216906 0.011623 LBFGSLineSearch: 6 00:52:33 -62.216921 0.011855 LBFGSLineSearch: 7 00:52:33 -62.216938 0.021255 LBFGSLineSearch: 8 00:52:33 -62.216955 0.024023 LBFGSLineSearch: 9 00:52:34 -62.216965 0.004330 LBFGSLineSearch: 10 00:52:34 -62.216969 0.007482 LBFGSLineSearch: 11 00:52:34 -62.216980 0.010920 LBFGSLineSearch: 12 00:52:34 -62.216983 0.003843 LBFGSLineSearch: 13 00:52:34 -62.216984 0.002807 LBFGSLineSearch: 14 00:52:35 -62.216986 0.006481 LBFGSLineSearch: 15 00:52:35 -62.216989 0.001049 LBFGSLineSearch: 16 00:52:36 -62.216989 0.001161 LBFGSLineSearch: 17 00:52:36 -62.216989 0.001645 LBFGSLineSearch: 18 00:52:36 -62.216989 0.001232 LBFGSLineSearch: 19 00:52:36 -62.216990 0.000503 LBFGSLineSearch: 20 00:52:37 -62.216990 0.000420 LBFGSLineSearch: 21 00:52:37 -62.216990 0.000756 LBFGSLineSearch: 22 00:52:37 -62.216990 0.000349 LBFGSLineSearch: 23 00:52:38 -62.216990 0.000333 LBFGSLineSearch: 24 00:52:38 -62.216990 0.000108 LBFGSLineSearch: 25 00:52:38 -62.216990 0.000042 LBFGSLineSearch: 26 00:52:39 -62.216990 0.000123 LBFGSLineSearch: 27 00:52:39 -62.216990 0.000027 LBFGSLineSearch: 28 00:52:39 -62.216990 0.000000 Minimization converged after 28 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:45 -62.672733 0.045574 LBFGSLineSearch: 1 00:52:45 -62.672774 0.144618 LBFGSLineSearch: 2 00:52:45 -62.672862 0.091132 LBFGSLineSearch: 3 00:52:45 -62.673115 0.034980 LBFGSLineSearch: 4 00:52:45 -62.673218 0.020820 LBFGSLineSearch: 5 00:52:45 -62.673241 0.012325 LBFGSLineSearch: 6 00:52:45 -62.673257 0.012629 LBFGSLineSearch: 7 00:52:46 -62.673271 0.013754 LBFGSLineSearch: 8 00:52:46 -62.673287 0.016031 LBFGSLineSearch: 9 00:52:46 -62.673302 0.010409 LBFGSLineSearch: 10 00:52:46 -62.673306 0.004500 LBFGSLineSearch: 11 00:52:46 -62.673309 0.009290 LBFGSLineSearch: 12 00:52:47 -62.673324 0.004250 LBFGSLineSearch: 13 00:52:47 -62.673326 0.002581 LBFGSLineSearch: 14 00:52:47 -62.673327 0.003000 LBFGSLineSearch: 15 00:52:47 -62.673331 0.001374 LBFGSLineSearch: 16 00:52:47 -62.673331 0.000997 LBFGSLineSearch: 17 00:52:47 -62.673331 0.001561 LBFGSLineSearch: 18 00:52:48 -62.673332 0.001269 LBFGSLineSearch: 19 00:52:48 -62.673332 0.000495 LBFGSLineSearch: 20 00:52:48 -62.673332 0.000625 LBFGSLineSearch: 21 00:52:49 -62.673332 0.000364 LBFGSLineSearch: 22 00:52:49 -62.673332 0.000603 LBFGSLineSearch: 23 00:52:49 -62.673333 0.000187 LBFGSLineSearch: 24 00:52:50 -62.673333 0.000053 LBFGSLineSearch: 25 00:52:50 -62.673333 0.000152 LBFGSLineSearch: 26 00:52:50 -62.673333 0.000030 LBFGSLineSearch: 27 00:52:51 -62.673333 0.000001 Minimization converged after 27 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:57 -63.130280 0.045695 LBFGSLineSearch: 1 00:52:58 -63.130320 0.145842 LBFGSLineSearch: 2 00:52:58 -63.130410 0.082918 LBFGSLineSearch: 3 00:52:58 -63.130656 0.051164 LBFGSLineSearch: 4 00:52:58 -63.130752 0.056759 LBFGSLineSearch: 5 00:52:58 -63.130792 0.022133 LBFGSLineSearch: 6 00:52:58 -63.130808 0.010449 LBFGSLineSearch: 7 00:52:58 -63.130824 0.012097 LBFGSLineSearch: 8 00:52:58 -63.130840 0.014739 LBFGSLineSearch: 9 00:52:58 -63.130857 0.013155 LBFGSLineSearch: 10 00:52:58 -63.130865 0.005942 LBFGSLineSearch: 11 00:52:59 -63.130868 0.004380 LBFGSLineSearch: 12 00:52:59 -63.130872 0.007948 LBFGSLineSearch: 13 00:52:59 -63.130885 0.004536 LBFGSLineSearch: 14 00:52:59 -63.130888 0.002711 LBFGSLineSearch: 15 00:52:59 -63.130890 0.003277 LBFGSLineSearch: 16 00:52:59 -63.130893 0.001803 LBFGSLineSearch: 17 00:52:59 -63.130893 0.001112 LBFGSLineSearch: 18 00:52:59 -63.130894 0.001991 LBFGSLineSearch: 19 00:53:00 -63.130894 0.001336 LBFGSLineSearch: 20 00:53:00 -63.130895 0.000756 LBFGSLineSearch: 21 00:53:00 -63.130895 0.000617 LBFGSLineSearch: 22 00:53:00 -63.130895 0.000687 LBFGSLineSearch: 23 00:53:00 -63.130895 0.000490 LBFGSLineSearch: 24 00:53:00 -63.130895 0.000436 LBFGSLineSearch: 25 00:53:00 -63.130895 0.000081 LBFGSLineSearch: 26 00:53:00 -63.130895 0.000050 LBFGSLineSearch: 27 00:53:00 -63.130895 0.000235 LBFGSLineSearch: 28 00:53:00 -63.130895 0.000096 LBFGSLineSearch: 29 00:53:01 -63.130895 0.000030 LBFGSLineSearch: 30 00:53:01 -63.130895 0.000000 Minimization converged after 30 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:07 -63.589078 0.045818 LBFGSLineSearch: 1 00:53:07 -63.589118 0.147034 LBFGSLineSearch: 2 00:53:08 -63.589229 0.078457 LBFGSLineSearch: 3 00:53:08 -63.589460 0.033998 LBFGSLineSearch: 4 00:53:08 -63.589544 0.037646 LBFGSLineSearch: 5 00:53:08 -63.589591 0.040744 LBFGSLineSearch: 6 00:53:08 -63.589613 0.035040 LBFGSLineSearch: 7 00:53:08 -63.589632 0.023136 LBFGSLineSearch: 8 00:53:08 -63.589646 0.023010 LBFGSLineSearch: 9 00:53:08 -63.589676 0.015134 LBFGSLineSearch: 10 00:53:08 -63.589679 0.007526 LBFGSLineSearch: 11 00:53:08 -63.589683 0.016843 LBFGSLineSearch: 12 00:53:08 -63.589697 0.007693 LBFGSLineSearch: 13 00:53:08 -63.589702 0.002646 LBFGSLineSearch: 14 00:53:09 -63.589703 0.005935 LBFGSLineSearch: 15 00:53:09 -63.589707 0.004806 LBFGSLineSearch: 16 00:53:09 -63.589708 0.001538 LBFGSLineSearch: 17 00:53:09 -63.589709 0.003955 LBFGSLineSearch: 18 00:53:09 -63.589710 0.004309 LBFGSLineSearch: 19 00:53:09 -63.589710 0.001381 LBFGSLineSearch: 20 00:53:09 -63.589710 0.000697 LBFGSLineSearch: 21 00:53:09 -63.589710 0.001953 LBFGSLineSearch: 22 00:53:09 -63.589710 0.000619 LBFGSLineSearch: 23 00:53:09 -63.589710 0.000545 LBFGSLineSearch: 24 00:53:09 -63.589710 0.001235 LBFGSLineSearch: 25 00:53:10 -63.589711 0.000059 LBFGSLineSearch: 26 00:53:10 -63.589711 0.000699 LBFGSLineSearch: 27 00:53:10 -63.589711 0.000214 LBFGSLineSearch: 28 00:53:10 -63.589711 0.000000 Minimization converged after 28 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:15 -64.049165 0.045946 LBFGSLineSearch: 1 00:53:15 -64.049205 0.148208 LBFGSLineSearch: 2 00:53:15 -64.049362 0.076029 LBFGSLineSearch: 3 00:53:15 -64.049609 0.059963 LBFGSLineSearch: 4 00:53:15 -64.049667 0.033656 LBFGSLineSearch: 5 00:53:15 -64.049700 0.039003 LBFGSLineSearch: 6 00:53:16 -64.049762 0.040259 LBFGSLineSearch: 7 00:53:16 -64.049781 0.013416 LBFGSLineSearch: 8 00:53:16 -64.049790 0.010664 LBFGSLineSearch: 9 00:53:16 -64.049805 0.030363 LBFGSLineSearch: 10 00:53:16 -64.049824 0.006108 LBFGSLineSearch: 11 00:53:16 -64.049825 0.004644 LBFGSLineSearch: 12 00:53:16 -64.049830 0.008721 LBFGSLineSearch: 13 00:53:17 -64.049831 0.002758 LBFGSLineSearch: 14 00:53:17 -64.049832 0.002131 LBFGSLineSearch: 15 00:53:17 -64.049833 0.006792 LBFGSLineSearch: 16 00:53:17 -64.049837 0.003407 LBFGSLineSearch: 17 00:53:17 -64.049838 0.001176 LBFGSLineSearch: 18 00:53:17 -64.049838 0.002197 LBFGSLineSearch: 19 00:53:17 -64.049839 0.000754 LBFGSLineSearch: 20 00:53:18 -64.049839 0.000474 LBFGSLineSearch: 21 00:53:18 -64.049839 0.000330 LBFGSLineSearch: 22 00:53:18 -64.049839 0.001494 LBFGSLineSearch: 23 00:53:18 -64.049839 0.000327 LBFGSLineSearch: 24 00:53:18 -64.049839 0.000130 LBFGSLineSearch: 25 00:53:19 -64.049839 0.000100 LBFGSLineSearch: 26 00:53:19 -64.049839 0.000001 Minimization converged after 26 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:24 -64.510796 0.046096 LBFGSLineSearch: 1 00:53:24 -64.510844 0.132344 LBFGSLineSearch: 2 00:53:25 -64.511061 0.089174 LBFGSLineSearch: 3 00:53:25 -64.511358 0.035516 LBFGSLineSearch: 4 00:53:25 -64.511413 0.034447 LBFGSLineSearch: 5 00:53:25 -64.511461 0.023650 LBFGSLineSearch: 6 00:53:25 -64.511592 0.062424 LBFGSLineSearch: 7 00:53:25 -64.511661 0.021459 LBFGSLineSearch: 8 00:53:25 -64.511723 0.014362 LBFGSLineSearch: 9 00:53:25 -64.511748 0.010605 LBFGSLineSearch: 10 00:53:25 -64.511753 0.008396 LBFGSLineSearch: 11 00:53:25 -64.511759 0.012330 LBFGSLineSearch: 12 00:53:25 -64.511814 0.015925 LBFGSLineSearch: 13 00:53:25 -64.511834 0.008903 LBFGSLineSearch: 14 00:53:25 -64.511888 0.067721 LBFGSLineSearch: 15 00:53:25 -64.511911 0.013511 LBFGSLineSearch: 16 00:53:25 -64.511914 0.002878 LBFGSLineSearch: 17 00:53:25 -64.511916 0.010439 LBFGSLineSearch: 18 00:53:26 -64.511919 0.007512 LBFGSLineSearch: 19 00:53:26 -64.511920 0.005600 LBFGSLineSearch: 20 00:53:26 -64.511928 0.003120 LBFGSLineSearch: 21 00:53:26 -64.511929 0.003962 LBFGSLineSearch: 22 00:53:26 -64.511932 0.005080 LBFGSLineSearch: 23 00:53:26 -64.511932 0.000183 LBFGSLineSearch: 24 00:53:26 -64.511932 0.000152 LBFGSLineSearch: 25 00:53:26 -64.511932 0.000760 LBFGSLineSearch: 26 00:53:26 -64.511932 0.000004 Minimization converged after 26 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:33 -64.975213 0.046328 LBFGSLineSearch: 1 00:53:33 -64.975262 0.115337 LBFGSLineSearch: 2 00:53:33 -64.975475 0.087579 LBFGSLineSearch: 3 00:53:33 -64.975791 0.043926 LBFGSLineSearch: 4 00:53:33 -64.975847 0.041255 LBFGSLineSearch: 5 00:53:33 -64.975899 0.027572 LBFGSLineSearch: 6 00:53:33 -64.976056 0.083217 LBFGSLineSearch: 7 00:53:33 -64.976146 0.024780 LBFGSLineSearch: 8 00:53:33 -64.976217 0.091060 LBFGSLineSearch: 9 00:53:33 -64.976260 0.023943 LBFGSLineSearch: 10 00:53:33 -64.976273 0.009391 LBFGSLineSearch: 11 00:53:33 -64.976280 0.014075 LBFGSLineSearch: 12 00:53:33 -64.976342 0.059918 LBFGSLineSearch: 13 00:53:33 -64.976382 0.011179 LBFGSLineSearch: 14 00:53:34 -64.976467 0.037021 LBFGSLineSearch: 15 00:53:34 -64.976507 0.013971 LBFGSLineSearch: 16 00:53:34 -64.976515 0.003546 LBFGSLineSearch: 17 00:53:34 -64.976519 0.008753 LBFGSLineSearch: 18 00:53:34 -64.976524 0.004509 LBFGSLineSearch: 19 00:53:34 -64.976537 0.007012 LBFGSLineSearch: 20 00:53:34 -64.976543 0.001906 LBFGSLineSearch: 21 00:53:34 -64.976543 0.001149 LBFGSLineSearch: 22 00:53:34 -64.976543 0.001751 LBFGSLineSearch: 23 00:53:34 -64.976544 0.000623 LBFGSLineSearch: 24 00:53:34 -64.976544 0.000299 LBFGSLineSearch: 25 00:53:34 -64.976544 0.000404 LBFGSLineSearch: 26 00:53:35 -64.976544 0.000032 LBFGSLineSearch: 27 00:53:35 -64.976544 0.000002 Minimization converged after 27 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:40 -65.442588 0.046606 LBFGSLineSearch: 1 00:53:40 -65.442640 0.098199 LBFGSLineSearch: 2 00:53:40 -65.442849 0.084815 LBFGSLineSearch: 3 00:53:40 -65.443186 0.067881 LBFGSLineSearch: 4 00:53:40 -65.443244 0.045887 LBFGSLineSearch: 5 00:53:40 -65.443303 0.048246 LBFGSLineSearch: 6 00:53:40 -65.443486 0.093200 LBFGSLineSearch: 7 00:53:40 -65.443624 0.068495 LBFGSLineSearch: 8 00:53:40 -65.443679 0.069106 LBFGSLineSearch: 9 00:53:40 -65.443810 0.028018 LBFGSLineSearch: 10 00:53:40 -65.443831 0.012447 LBFGSLineSearch: 11 00:53:41 -65.443840 0.011347 LBFGSLineSearch: 12 00:53:41 -65.443857 0.020153 LBFGSLineSearch: 13 00:53:41 -65.444000 0.022399 LBFGSLineSearch: 14 00:53:41 -65.444026 0.024665 LBFGSLineSearch: 15 00:53:41 -65.444234 0.043766 LBFGSLineSearch: 16 00:53:41 -65.444274 0.010021 LBFGSLineSearch: 17 00:53:42 -65.444279 0.006148 LBFGSLineSearch: 18 00:53:42 -65.444284 0.011902 LBFGSLineSearch: 19 00:53:42 -65.444306 0.011871 LBFGSLineSearch: 20 00:53:43 -65.444313 0.008756 LBFGSLineSearch: 21 00:53:43 -65.444320 0.012568 LBFGSLineSearch: 22 00:53:43 -65.444340 0.004149 LBFGSLineSearch: 23 00:53:43 -65.444343 0.001258 LBFGSLineSearch: 24 00:53:43 -65.444344 0.001882 LBFGSLineSearch: 25 00:53:43 -65.444345 0.000759 LBFGSLineSearch: 26 00:53:43 -65.444345 0.001294 LBFGSLineSearch: 27 00:53:44 -65.444346 0.001335 LBFGSLineSearch: 28 00:53:44 -65.444346 0.000018 LBFGSLineSearch: 29 00:53:44 -65.444346 0.000000 Minimization converged after 29 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:51 -65.914168 0.046982 LBFGSLineSearch: 1 00:53:51 -65.914224 0.080375 LBFGSLineSearch: 2 00:53:51 -65.914432 0.091186 LBFGSLineSearch: 3 00:53:51 -65.914788 0.081318 LBFGSLineSearch: 4 00:53:51 -65.914862 0.050567 LBFGSLineSearch: 5 00:53:51 -65.914930 0.100465 LBFGSLineSearch: 6 00:53:51 -65.915228 0.105983 LBFGSLineSearch: 7 00:53:51 -65.915387 0.035692 LBFGSLineSearch: 8 00:53:51 -65.915493 0.036442 LBFGSLineSearch: 9 00:53:51 -65.915622 0.093524 LBFGSLineSearch: 10 00:53:52 -65.915785 0.063803 LBFGSLineSearch: 11 00:53:52 -65.915824 0.016260 LBFGSLineSearch: 12 00:53:52 -65.915882 0.026131 LBFGSLineSearch: 13 00:53:52 -65.916083 0.040262 LBFGSLineSearch: 14 00:53:52 -65.916155 0.019733 LBFGSLineSearch: 15 00:53:52 -65.916208 0.032333 LBFGSLineSearch: 16 00:53:52 -65.916728 0.023256 LBFGSLineSearch: 17 00:53:52 -65.916748 0.008761 LBFGSLineSearch: 18 00:53:52 -65.916761 0.016476 LBFGSLineSearch: 19 00:53:52 -65.916878 0.020182 LBFGSLineSearch: 20 00:53:52 -65.916893 0.007261 LBFGSLineSearch: 21 00:53:52 -65.916898 0.006892 LBFGSLineSearch: 22 00:53:52 -65.916908 0.015721 LBFGSLineSearch: 23 00:53:52 -65.916929 0.005866 LBFGSLineSearch: 24 00:53:52 -65.916932 0.006418 LBFGSLineSearch: 25 00:53:52 -65.916954 0.007440 LBFGSLineSearch: 26 00:53:52 -65.916958 0.001511 LBFGSLineSearch: 27 00:53:53 -65.916958 0.000554 LBFGSLineSearch: 28 00:53:53 -65.916958 0.000831 LBFGSLineSearch: 29 00:53:53 -65.916959 0.000486 LBFGSLineSearch: 30 00:53:53 -65.916959 0.000042 LBFGSLineSearch: 31 00:53:53 -65.916959 0.000001 Minimization converged after 31 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:58 -66.392763 0.047580 LBFGSLineSearch: 1 00:53:58 -66.392824 0.063618 LBFGSLineSearch: 2 00:53:58 -66.393040 0.121738 LBFGSLineSearch: 3 00:53:58 -66.393397 0.067959 LBFGSLineSearch: 4 00:53:58 -66.393485 0.060879 LBFGSLineSearch: 5 00:53:58 -66.393600 0.083605 LBFGSLineSearch: 6 00:53:58 -66.393950 0.219790 LBFGSLineSearch: 7 00:53:58 -66.394225 0.066757 LBFGSLineSearch: 8 00:53:58 -66.394435 0.092012 LBFGSLineSearch: 9 00:53:59 -66.394758 0.066106 LBFGSLineSearch: 10 00:53:59 -66.395081 0.049495 LBFGSLineSearch: 11 00:53:59 -66.395170 0.040052 LBFGSLineSearch: 12 00:53:59 -66.395278 0.174110 LBFGSLineSearch: 13 00:53:59 -66.395360 0.039340 LBFGSLineSearch: 14 00:53:59 -66.395630 0.044770 LBFGSLineSearch: 15 00:53:59 -66.395719 0.031068 LBFGSLineSearch: 16 00:53:59 -66.395981 0.072028 LBFGSLineSearch: 17 00:53:59 -66.396098 0.042035 LBFGSLineSearch: 18 00:53:59 -66.396152 0.019363 LBFGSLineSearch: 19 00:53:59 -66.396227 0.058582 LBFGSLineSearch: 20 00:53:59 -66.396537 0.028987 LBFGSLineSearch: 21 00:53:59 -66.396597 0.010470 LBFGSLineSearch: 22 00:53:59 -66.396609 0.010620 LBFGSLineSearch: 23 00:53:59 -66.396625 0.011827 LBFGSLineSearch: 24 00:53:59 -66.396678 0.010185 LBFGSLineSearch: 25 00:53:59 -66.396689 0.008077 LBFGSLineSearch: 26 00:54:00 -66.396705 0.014296 LBFGSLineSearch: 27 00:54:00 -66.396768 0.010000 LBFGSLineSearch: 28 00:54:00 -66.396776 0.001602 LBFGSLineSearch: 29 00:54:00 -66.396776 0.001080 LBFGSLineSearch: 30 00:54:00 -66.396776 0.002025 LBFGSLineSearch: 31 00:54:00 -66.396778 0.000893 LBFGSLineSearch: 32 00:54:00 -66.396778 0.000133 LBFGSLineSearch: 33 00:54:00 -66.396778 0.000005 Minimization converged after 33 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:06 -66.881341 0.048458 LBFGSLineSearch: 1 00:54:06 -66.881452 0.071710 LBFGSLineSearch: 2 00:54:06 -66.882011 0.091743 LBFGSLineSearch: 3 00:54:06 -66.882065 0.062483 LBFGSLineSearch: 4 00:54:06 -66.882182 0.063533 LBFGSLineSearch: 5 00:54:06 -66.882280 0.194885 LBFGSLineSearch: 6 00:54:06 -66.882632 0.093525 LBFGSLineSearch: 7 00:54:07 -66.883367 0.090317 LBFGSLineSearch: 8 00:54:07 -66.883862 0.066557 LBFGSLineSearch: 9 00:54:07 -66.884503 0.121245 LBFGSLineSearch: 10 00:54:07 -66.886215 0.092933 LBFGSLineSearch: 11 00:54:07 -66.887841 0.335825 LBFGSLineSearch: 12 00:54:07 -66.900817 0.723646 LBFGSLineSearch: 13 00:54:07 -66.901819 0.884461 LBFGSLineSearch: 14 00:54:07 -66.913837 0.998790 LBFGSLineSearch: 15 00:54:07 -66.952701 1.546228 LBFGSLineSearch: 16 00:54:07 -66.956844 1.669025 LBFGSLineSearch: 17 00:54:07 -67.053615 1.584915 LBFGSLineSearch: 18 00:54:07 -67.136941 1.377816 LBFGSLineSearch: 19 00:54:07 -67.212833 1.647563 LBFGSLineSearch: 20 00:54:07 -67.404762 2.487747 LBFGSLineSearch: 21 00:54:07 -67.584273 3.463340 LBFGSLineSearch: 22 00:54:08 -67.645624 1.799465 LBFGSLineSearch: 23 00:54:08 -68.013950 2.765992 LBFGSLineSearch: 24 00:54:08 -68.038572 2.147917 LBFGSLineSearch: 25 00:54:08 -68.079143 0.904723 LBFGSLineSearch: 26 00:54:08 -68.123376 2.215730 LBFGSLineSearch: 27 00:54:08 -68.163704 2.494258 LBFGSLineSearch: 28 00:54:08 -68.248423 1.616024 LBFGSLineSearch: 29 00:54:08 -68.373889 1.792943 LBFGSLineSearch: 30 00:54:08 -68.380886 1.516230 LBFGSLineSearch: 31 00:54:08 -68.402015 1.493873 LBFGSLineSearch: 32 00:54:08 -68.419591 0.819971 LBFGSLineSearch: 33 00:54:09 -68.428922 0.907391 LBFGSLineSearch: 34 00:54:09 -68.454077 1.709803 LBFGSLineSearch: 35 00:54:09 -68.467116 0.444132 LBFGSLineSearch: 36 00:54:09 -68.474057 0.763402 LBFGSLineSearch: 37 00:54:09 -68.494080 1.731998 LBFGSLineSearch: 38 00:54:09 -68.523479 1.951843 LBFGSLineSearch: 39 00:54:09 -68.553879 1.811118 LBFGSLineSearch: 40 00:54:09 -68.583146 0.850432 LBFGSLineSearch: 41 00:54:09 -68.617144 1.617257 LBFGSLineSearch: 42 00:54:09 -68.648330 0.881893 LBFGSLineSearch: 43 00:54:09 -68.684058 1.447169 LBFGSLineSearch: 44 00:54:09 -69.399815 2.291384 LBFGSLineSearch: 45 00:54:09 -69.520604 2.726887 LBFGSLineSearch: 46 00:54:09 -69.668436 1.692066 LBFGSLineSearch: 47 00:54:09 -69.703822 1.083486 LBFGSLineSearch: 48 00:54:09 -69.766502 0.830467 LBFGSLineSearch: 49 00:54:09 -69.775883 0.827268 LBFGSLineSearch: 50 00:54:10 -69.788675 1.511527 LBFGSLineSearch: 51 00:54:10 -69.811052 1.473689 LBFGSLineSearch: 52 00:54:10 -69.834855 1.251156 LBFGSLineSearch: 53 00:54:10 -69.883546 1.502910 LBFGSLineSearch: 54 00:54:10 -69.911355 0.493525 LBFGSLineSearch: 55 00:54:10 -69.919366 0.214020 LBFGSLineSearch: 56 00:54:10 -69.922094 0.369433 LBFGSLineSearch: 57 00:54:10 -69.924263 0.558662 LBFGSLineSearch: 58 00:54:10 -69.927548 1.222937 LBFGSLineSearch: 59 00:54:10 -69.930700 0.368424 LBFGSLineSearch: 60 00:54:10 -69.931893 0.187957 LBFGSLineSearch: 61 00:54:10 -69.933591 0.409565 LBFGSLineSearch: 62 00:54:10 -69.938602 0.246004 LBFGSLineSearch: 63 00:54:10 -69.939820 0.163406 LBFGSLineSearch: 64 00:54:10 -69.940213 0.139159 LBFGSLineSearch: 65 00:54:10 -69.940844 0.299899 LBFGSLineSearch: 66 00:54:10 -69.952151 0.960684 LBFGSLineSearch: 67 00:54:11 -69.990099 2.062850 LBFGSLineSearch: 68 00:54:11 -70.013837 3.277616 LBFGSLineSearch: 69 00:54:11 -70.053345 1.162782 LBFGSLineSearch: 70 00:54:11 -70.081604 1.078194 LBFGSLineSearch: 71 00:54:11 -70.090328 0.776251 LBFGSLineSearch: 72 00:54:11 -70.098307 0.367574 LBFGSLineSearch: 73 00:54:11 -70.100559 0.552857 LBFGSLineSearch: 74 00:54:11 -70.101536 0.344906 LBFGSLineSearch: 75 00:54:11 -70.102750 0.158035 LBFGSLineSearch: 76 00:54:11 -70.105737 0.524993 LBFGSLineSearch: 77 00:54:11 -70.108070 0.295194 LBFGSLineSearch: 78 00:54:11 -70.108638 0.041767 LBFGSLineSearch: 79 00:54:11 -70.108798 0.076878 LBFGSLineSearch: 80 00:54:12 -70.108869 0.072251 LBFGSLineSearch: 81 00:54:12 -70.108893 0.046954 LBFGSLineSearch: 82 00:54:12 -70.108906 0.027702 LBFGSLineSearch: 83 00:54:12 -70.108910 0.011587 LBFGSLineSearch: 84 00:54:12 -70.108911 0.002205 LBFGSLineSearch: 85 00:54:12 -70.108911 0.000183 LBFGSLineSearch: 86 00:54:12 -70.108911 0.000030 LBFGSLineSearch: 87 00:54:14 -70.108911 0.000003 Minimization converged after 87 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:17 -70.679162 0.057028 LBFGSLineSearch: 1 00:54:17 -70.679209 0.216603 LBFGSLineSearch: 2 00:54:17 -70.679330 0.116181 LBFGSLineSearch: 3 00:54:17 -70.679580 0.090250 LBFGSLineSearch: 4 00:54:18 -70.679691 0.057791 LBFGSLineSearch: 5 00:54:18 -70.679721 0.033914 LBFGSLineSearch: 6 00:54:18 -70.679752 0.027756 LBFGSLineSearch: 7 00:54:18 -70.679788 0.040503 LBFGSLineSearch: 8 00:54:18 -70.679826 0.024951 LBFGSLineSearch: 9 00:54:18 -70.679839 0.010889 LBFGSLineSearch: 10 00:54:18 -70.679857 0.032718 LBFGSLineSearch: 11 00:54:18 -70.679879 0.009715 LBFGSLineSearch: 12 00:54:19 -70.679894 0.009303 LBFGSLineSearch: 13 00:54:19 -70.679899 0.004889 LBFGSLineSearch: 14 00:54:19 -70.679903 0.005482 LBFGSLineSearch: 15 00:54:19 -70.679905 0.004080 LBFGSLineSearch: 16 00:54:19 -70.679907 0.003962 LBFGSLineSearch: 17 00:54:19 -70.679908 0.002661 LBFGSLineSearch: 18 00:54:19 -70.679908 0.001260 LBFGSLineSearch: 19 00:54:19 -70.679908 0.001387 LBFGSLineSearch: 20 00:54:19 -70.679909 0.001399 LBFGSLineSearch: 21 00:54:19 -70.679909 0.001202 LBFGSLineSearch: 22 00:54:19 -70.679909 0.001065 LBFGSLineSearch: 23 00:54:20 -70.679909 0.000783 LBFGSLineSearch: 24 00:54:20 -70.679909 0.000236 LBFGSLineSearch: 25 00:54:20 -70.679909 0.000081 LBFGSLineSearch: 26 00:54:21 -70.679909 0.000125 LBFGSLineSearch: 27 00:54:21 -70.679909 0.000037 LBFGSLineSearch: 28 00:54:21 -70.679909 0.000001 Minimization converged after 28 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:25 -71.251662 0.057176 LBFGSLineSearch: 1 00:54:25 -71.251709 0.217189 LBFGSLineSearch: 2 00:54:26 -71.251828 0.117152 LBFGSLineSearch: 3 00:54:26 -71.252083 0.094655 LBFGSLineSearch: 4 00:54:26 -71.252194 0.066126 LBFGSLineSearch: 5 00:54:26 -71.252229 0.036400 LBFGSLineSearch: 6 00:54:26 -71.252260 0.028998 LBFGSLineSearch: 7 00:54:26 -71.252306 0.053994 LBFGSLineSearch: 8 00:54:26 -71.252344 0.023476 LBFGSLineSearch: 9 00:54:27 -71.252359 0.011488 LBFGSLineSearch: 10 00:54:27 -71.252377 0.033131 LBFGSLineSearch: 11 00:54:27 -71.252399 0.011129 LBFGSLineSearch: 12 00:54:27 -71.252413 0.006581 LBFGSLineSearch: 13 00:54:27 -71.252418 0.006101 LBFGSLineSearch: 14 00:54:27 -71.252425 0.005928 LBFGSLineSearch: 15 00:54:27 -71.252428 0.004187 LBFGSLineSearch: 16 00:54:27 -71.252429 0.002167 LBFGSLineSearch: 17 00:54:28 -71.252429 0.001189 LBFGSLineSearch: 18 00:54:28 -71.252429 0.000993 LBFGSLineSearch: 19 00:54:28 -71.252429 0.000875 LBFGSLineSearch: 20 00:54:29 -71.252430 0.001108 LBFGSLineSearch: 21 00:54:29 -71.252430 0.000320 LBFGSLineSearch: 22 00:54:29 -71.252430 0.000063 LBFGSLineSearch: 23 00:54:29 -71.252430 0.000093 LBFGSLineSearch: 24 00:54:29 -71.252430 0.000017 LBFGSLineSearch: 25 00:54:29 -71.252430 0.000000 Minimization converged after 25 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:34 -71.825726 0.057330 LBFGSLineSearch: 1 00:54:34 -71.825772 0.217778 LBFGSLineSearch: 2 00:54:34 -71.825890 0.118185 LBFGSLineSearch: 3 00:54:34 -71.826150 0.099057 LBFGSLineSearch: 4 00:54:34 -71.826260 0.074832 LBFGSLineSearch: 5 00:54:34 -71.826301 0.038883 LBFGSLineSearch: 6 00:54:35 -71.826333 0.030603 LBFGSLineSearch: 7 00:54:35 -71.826379 0.052624 LBFGSLineSearch: 8 00:54:35 -71.826427 0.022372 LBFGSLineSearch: 9 00:54:35 -71.826443 0.012299 LBFGSLineSearch: 10 00:54:35 -71.826465 0.025233 LBFGSLineSearch: 11 00:54:35 -71.826485 0.011243 LBFGSLineSearch: 12 00:54:35 -71.826497 0.007004 LBFGSLineSearch: 13 00:54:36 -71.826502 0.006380 LBFGSLineSearch: 14 00:54:36 -71.826510 0.006136 LBFGSLineSearch: 15 00:54:36 -71.826514 0.004357 LBFGSLineSearch: 16 00:54:36 -71.826516 0.001487 LBFGSLineSearch: 17 00:54:36 -71.826516 0.000814 LBFGSLineSearch: 18 00:54:36 -71.826516 0.000643 LBFGSLineSearch: 19 00:54:36 -71.826516 0.000591 LBFGSLineSearch: 20 00:54:36 -71.826516 0.000383 LBFGSLineSearch: 21 00:54:36 -71.826516 0.000047 LBFGSLineSearch: 22 00:54:36 -71.826516 0.000003 Minimization converged after 22 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:41 -72.401402 0.057490 LBFGSLineSearch: 1 00:54:41 -72.401447 0.218410 LBFGSLineSearch: 2 00:54:41 -72.401564 0.119279 LBFGSLineSearch: 3 00:54:41 -72.401830 0.103464 LBFGSLineSearch: 4 00:54:42 -72.401939 0.083905 LBFGSLineSearch: 5 00:54:42 -72.401985 0.041347 LBFGSLineSearch: 6 00:54:42 -72.402019 0.032575 LBFGSLineSearch: 7 00:54:42 -72.402064 0.049587 LBFGSLineSearch: 8 00:54:42 -72.402120 0.020402 LBFGSLineSearch: 9 00:54:42 -72.402142 0.013378 LBFGSLineSearch: 10 00:54:43 -72.402166 0.018875 LBFGSLineSearch: 11 00:54:43 -72.402188 0.011304 LBFGSLineSearch: 12 00:54:43 -72.402198 0.006886 LBFGSLineSearch: 13 00:54:43 -72.402202 0.006160 LBFGSLineSearch: 14 00:54:43 -72.402209 0.004670 LBFGSLineSearch: 15 00:54:44 -72.402213 0.006658 LBFGSLineSearch: 16 00:54:44 -72.402217 0.000882 LBFGSLineSearch: 17 00:54:44 -72.402217 0.000678 LBFGSLineSearch: 18 00:54:44 -72.402217 0.000427 LBFGSLineSearch: 19 00:54:44 -72.402217 0.001158 LBFGSLineSearch: 20 00:54:44 -72.402217 0.000186 LBFGSLineSearch: 21 00:54:44 -72.402217 0.000042 LBFGSLineSearch: 22 00:54:44 -72.402217 0.000261 LBFGSLineSearch: 23 00:54:44 -72.402217 0.000005 Minimization converged after 23 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:49 -72.978743 0.057656 LBFGSLineSearch: 1 00:54:49 -72.978789 0.219096 LBFGSLineSearch: 2 00:54:49 -72.978904 0.120440 LBFGSLineSearch: 3 00:54:49 -72.979176 0.107879 LBFGSLineSearch: 4 00:54:49 -72.979315 0.050624 LBFGSLineSearch: 5 00:54:49 -72.979344 0.031043 LBFGSLineSearch: 6 00:54:49 -72.979384 0.071401 LBFGSLineSearch: 7 00:54:49 -72.979437 0.074170 LBFGSLineSearch: 8 00:54:49 -72.979485 0.023413 LBFGSLineSearch: 9 00:54:50 -72.979517 0.045836 LBFGSLineSearch: 10 00:54:50 -72.979556 0.017495 LBFGSLineSearch: 11 00:54:50 -72.979572 0.016358 LBFGSLineSearch: 12 00:54:50 -72.979575 0.011798 LBFGSLineSearch: 13 00:54:50 -72.979579 0.003016 LBFGSLineSearch: 14 00:54:50 -72.979582 0.006564 LBFGSLineSearch: 15 00:54:50 -72.979586 0.007750 LBFGSLineSearch: 16 00:54:50 -72.979588 0.002708 LBFGSLineSearch: 17 00:54:50 -72.979588 0.000705 LBFGSLineSearch: 18 00:54:51 -72.979588 0.001954 LBFGSLineSearch: 19 00:54:51 -72.979588 0.002562 LBFGSLineSearch: 20 00:54:51 -72.979588 0.000785 LBFGSLineSearch: 21 00:54:51 -72.979588 0.000373 LBFGSLineSearch: 22 00:54:51 -72.979588 0.000114 LBFGSLineSearch: 23 00:54:51 -72.979588 0.000004 Minimization converged after 23 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:56 -73.557815 0.057822 LBFGSLineSearch: 1 00:54:56 -73.557860 0.219584 LBFGSLineSearch: 2 00:54:57 -73.557974 0.121608 LBFGSLineSearch: 3 00:54:57 -73.558253 0.112339 LBFGSLineSearch: 4 00:54:57 -73.558398 0.052677 LBFGSLineSearch: 5 00:54:57 -73.558428 0.032128 LBFGSLineSearch: 6 00:54:57 -73.558466 0.066718 LBFGSLineSearch: 7 00:54:57 -73.558518 0.074480 LBFGSLineSearch: 8 00:54:57 -73.558573 0.028890 LBFGSLineSearch: 9 00:54:57 -73.558612 0.044152 LBFGSLineSearch: 10 00:54:57 -73.558660 0.014211 LBFGSLineSearch: 11 00:54:57 -73.558681 0.009883 LBFGSLineSearch: 12 00:54:57 -73.558685 0.009120 LBFGSLineSearch: 13 00:54:58 -73.558688 0.004119 LBFGSLineSearch: 14 00:54:58 -73.558689 0.005166 LBFGSLineSearch: 15 00:54:58 -73.558694 0.012140 LBFGSLineSearch: 16 00:54:58 -73.558695 0.003224 LBFGSLineSearch: 17 00:54:58 -73.558695 0.000397 LBFGSLineSearch: 18 00:54:58 -73.558695 0.002082 LBFGSLineSearch: 19 00:54:58 -73.558695 0.000996 LBFGSLineSearch: 20 00:54:58 -73.558695 0.000096 LBFGSLineSearch: 21 00:54:58 -73.558695 0.000111 LBFGSLineSearch: 22 00:54:59 -73.558695 0.000000 Minimization converged after 22 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:04 -74.138693 0.058000 LBFGSLineSearch: 1 00:55:04 -74.138738 0.220408 LBFGSLineSearch: 2 00:55:04 -74.138850 0.122698 LBFGSLineSearch: 3 00:55:04 -74.139135 0.117061 LBFGSLineSearch: 4 00:55:04 -74.139286 0.055260 LBFGSLineSearch: 5 00:55:04 -74.139319 0.034031 LBFGSLineSearch: 6 00:55:04 -74.139349 0.027124 LBFGSLineSearch: 7 00:55:04 -74.139409 0.075726 LBFGSLineSearch: 8 00:55:04 -74.139462 0.053054 LBFGSLineSearch: 9 00:55:04 -74.139502 0.017630 LBFGSLineSearch: 10 00:55:04 -74.139543 0.054154 LBFGSLineSearch: 11 00:55:04 -74.139581 0.017406 LBFGSLineSearch: 12 00:55:04 -74.139596 0.008192 LBFGSLineSearch: 13 00:55:05 -74.139600 0.004979 LBFGSLineSearch: 14 00:55:05 -74.139602 0.011487 LBFGSLineSearch: 15 00:55:05 -74.139604 0.005921 LBFGSLineSearch: 16 00:55:05 -74.139608 0.007091 LBFGSLineSearch: 17 00:55:05 -74.139609 0.002243 LBFGSLineSearch: 18 00:55:05 -74.139610 0.000386 LBFGSLineSearch: 19 00:55:05 -74.139610 0.001528 LBFGSLineSearch: 20 00:55:05 -74.139610 0.000704 LBFGSLineSearch: 21 00:55:05 -74.139610 0.000018 LBFGSLineSearch: 22 00:55:05 -74.139610 0.000029 LBFGSLineSearch: 23 00:55:05 -74.139610 0.000000 Minimization converged after 23 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:10 -74.721454 0.058185 LBFGSLineSearch: 1 00:55:10 -74.721498 0.221167 LBFGSLineSearch: 2 00:55:10 -74.721609 0.123764 LBFGSLineSearch: 3 00:55:11 -74.721899 0.121877 LBFGSLineSearch: 4 00:55:11 -74.722057 0.057965 LBFGSLineSearch: 5 00:55:11 -74.722093 0.036254 LBFGSLineSearch: 6 00:55:11 -74.722125 0.028215 LBFGSLineSearch: 7 00:55:11 -74.722186 0.077724 LBFGSLineSearch: 8 00:55:11 -74.722244 0.055483 LBFGSLineSearch: 9 00:55:11 -74.722289 0.018261 LBFGSLineSearch: 10 00:55:11 -74.722334 0.054342 LBFGSLineSearch: 11 00:55:11 -74.722377 0.018483 LBFGSLineSearch: 12 00:55:11 -74.722396 0.008454 LBFGSLineSearch: 13 00:55:11 -74.722400 0.005857 LBFGSLineSearch: 14 00:55:11 -74.722403 0.011479 LBFGSLineSearch: 15 00:55:11 -74.722404 0.005904 LBFGSLineSearch: 16 00:55:11 -74.722408 0.009627 LBFGSLineSearch: 17 00:55:11 -74.722411 0.002346 LBFGSLineSearch: 18 00:55:11 -74.722411 0.000370 LBFGSLineSearch: 19 00:55:12 -74.722411 0.001386 LBFGSLineSearch: 20 00:55:12 -74.722411 0.000018 LBFGSLineSearch: 21 00:55:12 -74.722411 0.000002 Minimization converged after 21 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:17 -75.306184 0.058378 LBFGSLineSearch: 1 00:55:17 -75.306228 0.221952 LBFGSLineSearch: 2 00:55:17 -75.306337 0.124870 LBFGSLineSearch: 3 00:55:17 -75.306634 0.126724 LBFGSLineSearch: 4 00:55:17 -75.306798 0.060670 LBFGSLineSearch: 5 00:55:18 -75.306837 0.038636 LBFGSLineSearch: 6 00:55:18 -75.306871 0.029404 LBFGSLineSearch: 7 00:55:18 -75.306935 0.079949 LBFGSLineSearch: 8 00:55:18 -75.306998 0.057911 LBFGSLineSearch: 9 00:55:18 -75.307048 0.018945 LBFGSLineSearch: 10 00:55:18 -75.307098 0.054718 LBFGSLineSearch: 11 00:55:18 -75.307149 0.019698 LBFGSLineSearch: 12 00:55:18 -75.307171 0.008722 LBFGSLineSearch: 13 00:55:19 -75.307176 0.006855 LBFGSLineSearch: 14 00:55:19 -75.307179 0.011425 LBFGSLineSearch: 15 00:55:19 -75.307181 0.005887 LBFGSLineSearch: 16 00:55:19 -75.307185 0.011710 LBFGSLineSearch: 17 00:55:19 -75.307188 0.002455 LBFGSLineSearch: 18 00:55:19 -75.307188 0.000360 LBFGSLineSearch: 19 00:55:19 -75.307188 0.001320 LBFGSLineSearch: 20 00:55:20 -75.307188 0.000024 LBFGSLineSearch: 21 00:55:20 -75.307188 0.000106 LBFGSLineSearch: 22 00:55:20 -75.307188 0.000013 LBFGSLineSearch: 23 00:55:20 -75.307188 0.000000 Minimization converged after 23 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:25 -75.892987 0.058580 LBFGSLineSearch: 1 00:55:25 -75.893030 0.222792 LBFGSLineSearch: 2 00:55:26 -75.893139 0.126020 LBFGSLineSearch: 3 00:55:26 -75.893441 0.131598 LBFGSLineSearch: 4 00:55:26 -75.893614 0.063395 LBFGSLineSearch: 5 00:55:26 -75.893655 0.041213 LBFGSLineSearch: 6 00:55:26 -75.893693 0.030699 LBFGSLineSearch: 7 00:55:26 -75.893759 0.082467 LBFGSLineSearch: 8 00:55:27 -75.893828 0.060427 LBFGSLineSearch: 9 00:55:27 -75.893885 0.019856 LBFGSLineSearch: 10 00:55:27 -75.893940 0.055358 LBFGSLineSearch: 11 00:55:27 -75.893999 0.021114 LBFGSLineSearch: 12 00:55:27 -75.894026 0.009019 LBFGSLineSearch: 13 00:55:27 -75.894032 0.007755 LBFGSLineSearch: 14 00:55:27 -75.894036 0.011374 LBFGSLineSearch: 15 00:55:28 -75.894038 0.005945 LBFGSLineSearch: 16 00:55:28 -75.894043 0.013275 LBFGSLineSearch: 17 00:55:28 -75.894046 0.002628 LBFGSLineSearch: 18 00:55:28 -75.894046 0.000364 LBFGSLineSearch: 19 00:55:28 -75.894046 0.001459 LBFGSLineSearch: 20 00:55:28 -75.894046 0.000056 LBFGSLineSearch: 21 00:55:28 -75.894046 0.000391 LBFGSLineSearch: 22 00:55:28 -75.894046 0.000015 LBFGSLineSearch: 23 00:55:28 -75.894046 0.000000 Minimization converged after 23 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:34 -76.481984 0.058794 LBFGSLineSearch: 1 00:55:34 -76.482027 0.223676 LBFGSLineSearch: 2 00:55:34 -76.482135 0.127215 LBFGSLineSearch: 3 00:55:34 -76.482443 0.136500 LBFGSLineSearch: 4 00:55:34 -76.482624 0.066153 LBFGSLineSearch: 5 00:55:34 -76.482669 0.044007 LBFGSLineSearch: 6 00:55:34 -76.482710 0.032099 LBFGSLineSearch: 7 00:55:34 -76.482779 0.085344 LBFGSLineSearch: 8 00:55:34 -76.482855 0.063116 LBFGSLineSearch: 9 00:55:34 -76.482919 0.021300 LBFGSLineSearch: 10 00:55:34 -76.482981 0.056946 LBFGSLineSearch: 11 00:55:34 -76.483052 0.022790 LBFGSLineSearch: 12 00:55:35 -76.483085 0.009757 LBFGSLineSearch: 13 00:55:35 -76.483091 0.008670 LBFGSLineSearch: 14 00:55:35 -76.483097 0.011431 LBFGSLineSearch: 15 00:55:35 -76.483099 0.006166 LBFGSLineSearch: 16 00:55:35 -76.483106 0.014260 LBFGSLineSearch: 17 00:55:35 -76.483108 0.007442 LBFGSLineSearch: 18 00:55:35 -76.483109 0.000468 LBFGSLineSearch: 19 00:55:35 -76.483109 0.002701 LBFGSLineSearch: 20 00:55:35 -76.483109 0.002908 LBFGSLineSearch: 21 00:55:35 -76.483109 0.000565 LBFGSLineSearch: 22 00:55:35 -76.483109 0.000102 LBFGSLineSearch: 23 00:55:35 -76.483109 0.000008 Minimization converged after 23 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:41 -77.073322 0.059021 LBFGSLineSearch: 1 00:55:41 -77.073365 0.224466 LBFGSLineSearch: 2 00:55:41 -77.073472 0.128425 LBFGSLineSearch: 3 00:55:41 -77.073787 0.141470 LBFGSLineSearch: 4 00:55:41 -77.073977 0.068958 LBFGSLineSearch: 5 00:55:41 -77.074026 0.046953 LBFGSLineSearch: 6 00:55:41 -77.074070 0.033583 LBFGSLineSearch: 7 00:55:41 -77.074143 0.088607 LBFGSLineSearch: 8 00:55:41 -77.074228 0.066353 LBFGSLineSearch: 9 00:55:41 -77.074301 0.022869 LBFGSLineSearch: 10 00:55:41 -77.074371 0.060261 LBFGSLineSearch: 11 00:55:41 -77.074455 0.024835 LBFGSLineSearch: 12 00:55:41 -77.074497 0.011287 LBFGSLineSearch: 13 00:55:42 -77.074505 0.010387 LBFGSLineSearch: 14 00:55:42 -77.074512 0.011813 LBFGSLineSearch: 15 00:55:42 -77.074514 0.003268 LBFGSLineSearch: 16 00:55:42 -77.074516 0.013179 LBFGSLineSearch: 17 00:55:42 -77.074527 0.004720 LBFGSLineSearch: 18 00:55:42 -77.074527 0.001041 LBFGSLineSearch: 19 00:55:42 -77.074527 0.002904 LBFGSLineSearch: 20 00:55:42 -77.074528 0.000430 LBFGSLineSearch: 21 00:55:42 -77.074528 0.000161 LBFGSLineSearch: 22 00:55:42 -77.074528 0.000334 LBFGSLineSearch: 23 00:55:42 -77.074528 0.000002 Minimization converged after 23 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:46 -77.667184 0.059267 LBFGSLineSearch: 1 00:55:47 -77.667226 0.225689 LBFGSLineSearch: 2 00:55:47 -77.667333 0.129770 LBFGSLineSearch: 3 00:55:47 -77.667654 0.146410 LBFGSLineSearch: 4 00:55:47 -77.667854 0.071871 LBFGSLineSearch: 5 00:55:47 -77.667908 0.050461 LBFGSLineSearch: 6 00:55:47 -77.667956 0.035272 LBFGSLineSearch: 7 00:55:47 -77.668035 0.092575 LBFGSLineSearch: 8 00:55:48 -77.668155 0.057743 LBFGSLineSearch: 9 00:55:48 -77.668262 0.073943 LBFGSLineSearch: 10 00:55:48 -77.668359 0.032049 LBFGSLineSearch: 11 00:55:48 -77.668423 0.064371 LBFGSLineSearch: 12 00:55:48 -77.668453 0.014493 LBFGSLineSearch: 13 00:55:48 -77.668465 0.018224 LBFGSLineSearch: 14 00:55:48 -77.668471 0.005060 LBFGSLineSearch: 15 00:55:48 -77.668480 0.023918 LBFGSLineSearch: 16 00:55:48 -77.668491 0.001291 LBFGSLineSearch: 17 00:55:48 -77.668491 0.002216 LBFGSLineSearch: 18 00:55:48 -77.668493 0.001292 LBFGSLineSearch: 19 00:55:48 -77.668493 0.000218 LBFGSLineSearch: 20 00:55:49 -77.668493 0.001272 LBFGSLineSearch: 21 00:55:49 -77.668493 0.000025 LBFGSLineSearch: 22 00:55:49 -77.668493 0.000000 Minimization converged after 22 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:53 -78.263808 0.059532 LBFGSLineSearch: 1 00:55:53 -78.263850 0.226764 LBFGSLineSearch: 2 00:55:53 -78.263956 0.131128 LBFGSLineSearch: 3 00:55:54 -78.264284 0.151447 LBFGSLineSearch: 4 00:55:54 -78.264496 0.074894 LBFGSLineSearch: 5 00:55:54 -78.264554 0.054215 LBFGSLineSearch: 6 00:55:54 -78.264608 0.037056 LBFGSLineSearch: 7 00:55:54 -78.264693 0.097169 LBFGSLineSearch: 8 00:55:54 -78.264830 0.062310 LBFGSLineSearch: 9 00:55:54 -78.264954 0.078891 LBFGSLineSearch: 10 00:55:54 -78.265072 0.035653 LBFGSLineSearch: 11 00:55:54 -78.265157 0.072279 LBFGSLineSearch: 12 00:55:54 -78.265186 0.027652 LBFGSLineSearch: 13 00:55:54 -78.265200 0.011845 LBFGSLineSearch: 14 00:55:54 -78.265210 0.026526 LBFGSLineSearch: 15 00:55:54 -78.265221 0.005462 LBFGSLineSearch: 16 00:55:54 -78.265246 0.017017 LBFGSLineSearch: 17 00:55:55 -78.265252 0.006826 LBFGSLineSearch: 18 00:55:55 -78.265252 0.001525 LBFGSLineSearch: 19 00:55:55 -78.265253 0.007506 LBFGSLineSearch: 20 00:55:55 -78.265256 0.000944 LBFGSLineSearch: 21 00:55:55 -78.265256 0.000289 LBFGSLineSearch: 22 00:55:55 -78.265256 0.000310 LBFGSLineSearch: 23 00:55:55 -78.265256 0.000138 LBFGSLineSearch: 24 00:55:55 -78.265256 0.000002 Minimization converged after 24 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:56:00 -78.863526 0.059827 LBFGSLineSearch: 1 00:56:00 -78.863579 0.155211 LBFGSLineSearch: 2 00:56:00 -78.863681 0.115217 LBFGSLineSearch: 3 00:56:00 -78.864013 0.156628 LBFGSLineSearch: 4 00:56:00 -78.864245 0.064084 LBFGSLineSearch: 5 00:56:00 -78.864303 0.030648 LBFGSLineSearch: 6 00:56:01 -78.864357 0.030195 LBFGSLineSearch: 7 00:56:01 -78.864490 0.029562 LBFGSLineSearch: 8 00:56:01 -78.864601 0.032726 LBFGSLineSearch: 9 00:56:01 -78.864725 0.036373 LBFGSLineSearch: 10 00:56:01 -78.864893 0.030777 LBFGSLineSearch: 11 00:56:01 -78.865047 0.018138 LBFGSLineSearch: 12 00:56:01 -78.865072 0.012518 LBFGSLineSearch: 13 00:56:01 -78.865097 0.014155 LBFGSLineSearch: 14 00:56:01 -78.865105 0.006718 LBFGSLineSearch: 15 00:56:01 -78.865110 0.008028 LBFGSLineSearch: 16 00:56:01 -78.865120 0.018220 LBFGSLineSearch: 17 00:56:02 -78.865161 0.005965 LBFGSLineSearch: 18 00:56:02 -78.865167 0.002251 LBFGSLineSearch: 19 00:56:02 -78.865170 0.003879 LBFGSLineSearch: 20 00:56:02 -78.865177 0.001295 LBFGSLineSearch: 21 00:56:03 -78.865177 0.000387 LBFGSLineSearch: 22 00:56:03 -78.865177 0.001513 LBFGSLineSearch: 23 00:56:03 -78.865177 0.000035 LBFGSLineSearch: 24 00:56:03 -78.865177 0.000000 Minimization converged after 24 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:56:07 -79.466842 0.060167 LBFGSLineSearch: 1 00:56:08 -79.466895 0.155138 LBFGSLineSearch: 2 00:56:08 -79.466997 0.116123 LBFGSLineSearch: 3 00:56:08 -79.467336 0.161916 LBFGSLineSearch: 4 00:56:08 -79.467585 0.066607 LBFGSLineSearch: 5 00:56:09 -79.467649 0.032863 LBFGSLineSearch: 6 00:56:09 -79.467711 0.032559 LBFGSLineSearch: 7 00:56:09 -79.467861 0.031283 LBFGSLineSearch: 8 00:56:09 -79.467993 0.035742 LBFGSLineSearch: 9 00:56:09 -79.468142 0.039989 LBFGSLineSearch: 10 00:56:09 -79.468357 0.035887 LBFGSLineSearch: 11 00:56:09 -79.468584 0.021064 LBFGSLineSearch: 12 00:56:09 -79.468611 0.012043 LBFGSLineSearch: 13 00:56:10 -79.468632 0.014632 LBFGSLineSearch: 14 00:56:10 -79.468659 0.017723 LBFGSLineSearch: 15 00:56:10 -79.468683 0.011354 LBFGSLineSearch: 16 00:56:10 -79.468805 0.019359 LBFGSLineSearch: 17 00:56:10 -79.468813 0.003860 LBFGSLineSearch: 18 00:56:10 -79.468815 0.006598 LBFGSLineSearch: 19 00:56:11 -79.468845 0.005170 LBFGSLineSearch: 20 00:56:11 -79.468848 0.001135 LBFGSLineSearch: 21 00:56:11 -79.468848 0.000660 LBFGSLineSearch: 22 00:56:11 -79.468848 0.001322 LBFGSLineSearch: 23 00:56:11 -79.468849 0.000270 LBFGSLineSearch: 24 00:56:11 -79.468849 0.000016 LBFGSLineSearch: 25 00:56:11 -79.468849 0.000000 Minimization converged after 25 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:56:15 -80.074729 0.060588 LBFGSLineSearch: 1 00:56:16 -80.074782 0.155266 LBFGSLineSearch: 2 00:56:16 -80.074884 0.117093 LBFGSLineSearch: 3 00:56:16 -80.075231 0.167819 LBFGSLineSearch: 4 00:56:16 -80.075500 0.069698 LBFGSLineSearch: 5 00:56:17 -80.075574 0.035753 LBFGSLineSearch: 6 00:56:17 -80.075645 0.035593 LBFGSLineSearch: 7 00:56:17 -80.075821 0.033722 LBFGSLineSearch: 8 00:56:17 -80.075987 0.039652 LBFGSLineSearch: 9 00:56:17 -80.076174 0.045386 LBFGSLineSearch: 10 00:56:17 -80.076475 0.044927 LBFGSLineSearch: 11 00:56:18 -80.076846 0.027426 LBFGSLineSearch: 12 00:56:18 -80.076901 0.014682 LBFGSLineSearch: 13 00:56:18 -80.076946 0.027332 LBFGSLineSearch: 14 00:56:18 -80.077038 0.010981 LBFGSLineSearch: 15 00:56:19 -80.077115 0.048775 LBFGSLineSearch: 16 00:56:19 -80.077481 0.017459 LBFGSLineSearch: 17 00:56:19 -80.077626 0.027116 LBFGSLineSearch: 18 00:56:19 -80.077654 0.015637 LBFGSLineSearch: 19 00:56:19 -80.078446 0.424537 LBFGSLineSearch: 20 00:56:19 -80.078547 0.579220 LBFGSLineSearch: 21 00:56:20 -80.079472 1.016288 LBFGSLineSearch: 22 00:56:20 -80.089907 0.913229 LBFGSLineSearch: 23 00:56:20 -80.094074 0.235192 LBFGSLineSearch: 24 00:56:20 -80.101491 1.058606 LBFGSLineSearch: 25 00:56:20 -80.106250 0.674771 LBFGSLineSearch: 26 00:56:20 -80.111468 0.290630 LBFGSLineSearch: 27 00:56:20 -80.112255 0.282150 LBFGSLineSearch: 28 00:56:20 -80.117042 0.583673 LBFGSLineSearch: 29 00:56:21 -80.121817 0.175009 LBFGSLineSearch: 30 00:56:21 -80.162612 1.865181 LBFGSLineSearch: 31 00:56:21 -80.163300 1.941445 LBFGSLineSearch: 32 00:56:21 -80.211037 2.860380 LBFGSLineSearch: 33 00:56:21 -80.255152 2.708548 LBFGSLineSearch: 34 00:56:21 -80.390684 1.539022 LBFGSLineSearch: 35 00:56:21 -80.598518 1.441835 LBFGSLineSearch: 36 00:56:21 -80.881182 4.590948 LBFGSLineSearch: 37 00:56:21 -80.941372 6.480194 LBFGSLineSearch: 38 00:56:22 -81.244980 4.281376 LBFGSLineSearch: 39 00:56:22 -81.510643 4.980212 LBFGSLineSearch: 40 00:56:22 -81.597621 3.880503 LBFGSLineSearch: 41 00:56:22 -81.692802 2.297998 LBFGSLineSearch: 42 00:56:22 -81.760223 2.068503 LBFGSLineSearch: 43 00:56:22 -81.830142 3.131691 LBFGSLineSearch: 44 00:56:22 -82.181701 5.801336 LBFGSLineSearch: 45 00:56:22 -82.468203 5.397378 LBFGSLineSearch: 46 00:56:22 -82.855373 4.235487 LBFGSLineSearch: 47 00:56:22 -83.098841 3.238676 LBFGSLineSearch: 48 00:56:22 -83.566193 3.634283 LBFGSLineSearch: 49 00:56:22 -89.372196 6.407925 LBFGSLineSearch: 50 00:56:22 -89.400189 5.486207 LBFGSLineSearch: 51 00:56:23 -91.333787 9.399195 LBFGSLineSearch: 52 00:56:23 -92.253245 9.962152 LBFGSLineSearch: 53 00:56:23 -92.971296 4.487624 LBFGSLineSearch: 54 00:56:23 -94.046668 7.642046 Failed to get energy or crystal structure at pressure -32.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')