Model name? MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_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": 7.392323186778935, "source-unit": "angstrom", "si-unit": "m", "si-value": 7.392323186778935e-10 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "x1", "z1", "x2", "z2", "x3", "z3", "x4", "z4", "x5", "z5" ] }, "parameter-values": { "source-value": [ 0.42275796267097676, 0.9336941223241003, 100.82383451498158, 0.7384831113630896, 0.12394245595345876, 0.16853064766778525, 0.10876772017860681, 0.48661446491564764, 0.8281560650932156, 0.06828629522165874, 0.6753789748603576, 0.6786950560935772, 0.5142516553886907 ] }, "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_072689718616_002-1753137567-tr", "path": "tr/TE_196224119665_003-and-MO_072689718616_002-1753137567-tr", "type": "tr", "_id": "TE_196224119665_003-and-MO_072689718616_002-1753137567-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_KimJungLee_2010_FeNbC__MO_072689718616_002", "short-id": "MO_072689718616_002", "kimid-prefix": "MEAM_LAMMPS_KimJungLee_2010_FeNbC", "kimid-typecode": "mo", "kimid-number": "072689718616", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_KimJungLee_2010_FeNbC", "type": "mo", "kimnum": "072689718616", "version": 2, "shortcode": "MO_072689718616", "kimcode": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "path": "mo/MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "approved": true, "_id": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_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": "f2115067-5058-4475-9520-c0aa04c4a6df", "description": "Interatomic potentials for Fe-Nb-C systems has been developed based on the previously developed MEAM potentials for lower order systems. According to the paper (Kim et al, Journal of Materials Research, 25(7), 2010), the potentials reproduce various fundamental physical properties (structural properties, elastic properties, thermal properties, and surface properties) in generally good agreement with higher-level calculations or experimental information.", "developer": [ "5a167265-87e3-44e4-870e-759fac0c70d7", "59cc80e4-a52a-48c1-90e0-292f4f6782fe", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/36c8c978", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "f2115067-5058-4475-9520-c0aa04c4a6df", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Kim, Hyun-Kyu and Jung, Woo-Sang and Lee, Byeong-Joo", "doi": "10.1557/JMR.2010.0182", "journal": "Journal of Materials Research", "number": "7", "pages": "1288--1297", "publisher": "Cambridge University Press", "recordkey": "MO_072689718616_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom method interatomic potentials for the {N}b-{C}, {N}b-{N}, {F}e-{N}b-{C}, and {F}e-{N}b-{N} systems", "volume": "25", "year": "2010" } ], "species": [ "Fe", "Nb", "C" ], "title": "MEAM Potential for the Fe-Nb-C system developed by Kim and Lee (2010) v002", "created_on": "2023-05-09 18:55:54.484150" }, "test": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "model": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "domain": "openkim.org", "test-result-id": "TE_196224119665_003-and-MO_072689718616_002-1753137567-tr", "created_on": "2025-07-21 23:20:19.433478", "dependencies": [] }, "created_on": "2025-07-21 23:20:19.433478", "inserted_on": "2025-07-21 23:24:39.633460", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0005227407725402634 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 17:01:41 -75.709990 0.048876 LBFGSLineSearch: 1 17:01:41 -75.710497 0.015663 LBFGSLineSearch: 2 17:01:42 -75.710529 0.003867 LBFGSLineSearch: 3 17:01:42 -75.710532 0.001190 LBFGSLineSearch: 4 17:01:42 -75.710533 0.001093 LBFGSLineSearch: 5 17:01:43 -75.710533 0.001155 LBFGSLineSearch: 6 17:01:43 -75.710533 0.000586 LBFGSLineSearch: 7 17:01:44 -75.710533 0.000440 LBFGSLineSearch: 8 17:01:44 -75.710533 0.000551 LBFGSLineSearch: 9 17:01:44 -75.710533 0.000259 LBFGSLineSearch: 10 17:01:45 -75.710534 0.000211 LBFGSLineSearch: 11 17:01:45 -75.710534 0.000145 LBFGSLineSearch: 12 17:01:45 -75.710534 0.000087 LBFGSLineSearch: 13 17:01:45 -75.710534 0.000075 LBFGSLineSearch: 14 17:01:46 -75.710534 0.000067 LBFGSLineSearch: 15 17:01:46 -75.710534 0.000026 LBFGSLineSearch: 16 17:01:46 -75.710534 0.000013 LBFGSLineSearch: 17 17:01:47 -75.710534 0.000010 LBFGSLineSearch: 18 17:01:47 -75.710534 0.000007 Minimization converged after 18 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:52 -75.650811 0.005976 LBFGSLineSearch: 1 17:01:52 -75.650818 0.001829 LBFGSLineSearch: 2 17:01:52 -75.650819 0.000491 LBFGSLineSearch: 3 17:01:53 -75.650819 0.000153 LBFGSLineSearch: 4 17:01:53 -75.650819 0.000106 LBFGSLineSearch: 5 17:01:53 -75.650819 0.000085 LBFGSLineSearch: 6 17:01:54 -75.650819 0.000070 LBFGSLineSearch: 7 17:01:54 -75.650819 0.000051 LBFGSLineSearch: 8 17:01:54 -75.650819 0.000031 LBFGSLineSearch: 9 17:01:54 -75.650819 0.000026 LBFGSLineSearch: 10 17:01:55 -75.650819 0.000017 LBFGSLineSearch: 11 17:01:55 -75.650819 0.000008 Minimization converged after 11 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:00 -75.583801 0.006705 LBFGSLineSearch: 1 17:02:00 -75.583810 0.002047 LBFGSLineSearch: 2 17:02:00 -75.583811 0.000550 LBFGSLineSearch: 3 17:02:01 -75.583811 0.000169 LBFGSLineSearch: 4 17:02:02 -75.583811 0.000120 LBFGSLineSearch: 5 17:02:02 -75.583811 0.000097 LBFGSLineSearch: 6 17:02:02 -75.583811 0.000069 LBFGSLineSearch: 7 17:02:02 -75.583811 0.000070 LBFGSLineSearch: 8 17:02:03 -75.583811 0.000044 LBFGSLineSearch: 9 17:02:03 -75.583811 0.000033 LBFGSLineSearch: 10 17:02:03 -75.583811 0.000030 LBFGSLineSearch: 11 17:02:04 -75.583811 0.000021 LBFGSLineSearch: 12 17:02:05 -75.583811 0.000014 LBFGSLineSearch: 13 17:02:05 -75.583811 0.000008 Minimization converged after 13 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:10 -75.508608 0.007521 LBFGSLineSearch: 1 17:02:10 -75.508620 0.002294 LBFGSLineSearch: 2 17:02:10 -75.508621 0.000616 LBFGSLineSearch: 3 17:02:10 -75.508621 0.000191 LBFGSLineSearch: 4 17:02:11 -75.508621 0.000138 LBFGSLineSearch: 5 17:02:11 -75.508621 0.000112 LBFGSLineSearch: 6 17:02:11 -75.508621 0.000099 LBFGSLineSearch: 7 17:02:11 -75.508621 0.000072 LBFGSLineSearch: 8 17:02:12 -75.508621 0.000054 LBFGSLineSearch: 9 17:02:12 -75.508621 0.000038 LBFGSLineSearch: 10 17:02:12 -75.508621 0.000030 LBFGSLineSearch: 11 17:02:12 -75.508621 0.000029 LBFGSLineSearch: 12 17:02:12 -75.508621 0.000016 LBFGSLineSearch: 13 17:02:13 -75.508621 0.000008 Minimization converged after 13 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:17 -75.424237 0.008440 LBFGSLineSearch: 1 17:02:18 -75.424252 0.002571 LBFGSLineSearch: 2 17:02:18 -75.424253 0.000691 LBFGSLineSearch: 3 17:02:18 -75.424253 0.000214 LBFGSLineSearch: 4 17:02:18 -75.424253 0.000160 LBFGSLineSearch: 5 17:02:19 -75.424253 0.000127 LBFGSLineSearch: 6 17:02:19 -75.424253 0.000149 LBFGSLineSearch: 7 17:02:19 -75.424253 0.000066 LBFGSLineSearch: 8 17:02:19 -75.424253 0.000106 LBFGSLineSearch: 9 17:02:19 -75.424253 0.000045 LBFGSLineSearch: 10 17:02:20 -75.424253 0.000048 LBFGSLineSearch: 11 17:02:20 -75.424253 0.000037 LBFGSLineSearch: 12 17:02:21 -75.424253 0.000015 LBFGSLineSearch: 13 17:02:22 -75.424253 0.000016 LBFGSLineSearch: 14 17:02:22 -75.424253 0.000008 Minimization converged after 14 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:27 -75.329572 0.009469 LBFGSLineSearch: 1 17:02:27 -75.329591 0.002881 LBFGSLineSearch: 2 17:02:27 -75.329592 0.000774 LBFGSLineSearch: 3 17:02:28 -75.329592 0.000241 LBFGSLineSearch: 4 17:02:28 -75.329592 0.000185 LBFGSLineSearch: 5 17:02:28 -75.329592 0.000144 LBFGSLineSearch: 6 17:02:28 -75.329592 0.000141 LBFGSLineSearch: 7 17:02:28 -75.329592 0.000101 LBFGSLineSearch: 8 17:02:29 -75.329592 0.000094 LBFGSLineSearch: 9 17:02:29 -75.329592 0.000066 LBFGSLineSearch: 10 17:02:29 -75.329592 0.000070 LBFGSLineSearch: 11 17:02:29 -75.329592 0.000041 LBFGSLineSearch: 12 17:02:30 -75.329592 0.000040 LBFGSLineSearch: 13 17:02:30 -75.329592 0.000027 LBFGSLineSearch: 14 17:02:30 -75.329592 0.000016 LBFGSLineSearch: 15 17:02:30 -75.329592 0.000008 Minimization converged after 15 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:35 -75.223361 0.010621 LBFGSLineSearch: 1 17:02:35 -75.223385 0.003228 LBFGSLineSearch: 2 17:02:36 -75.223386 0.000867 LBFGSLineSearch: 3 17:02:36 -75.223387 0.000271 LBFGSLineSearch: 4 17:02:36 -75.223387 0.000230 LBFGSLineSearch: 5 17:02:36 -75.223387 0.000157 LBFGSLineSearch: 6 17:02:36 -75.223387 0.000180 LBFGSLineSearch: 7 17:02:37 -75.223387 0.000085 LBFGSLineSearch: 8 17:02:37 -75.223387 0.000111 LBFGSLineSearch: 9 17:02:37 -75.223387 0.000046 LBFGSLineSearch: 10 17:02:38 -75.223387 0.000061 LBFGSLineSearch: 11 17:02:38 -75.223387 0.000046 LBFGSLineSearch: 12 17:02:39 -75.223387 0.000022 LBFGSLineSearch: 13 17:02:39 -75.223387 0.000012 LBFGSLineSearch: 14 17:02:39 -75.223387 0.000004 Minimization converged after 14 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:44 -75.104204 0.011921 LBFGSLineSearch: 1 17:02:45 -75.104233 0.003621 LBFGSLineSearch: 2 17:02:45 -75.104235 0.000972 LBFGSLineSearch: 3 17:02:45 -75.104235 0.000295 LBFGSLineSearch: 4 17:02:45 -75.104235 0.000287 LBFGSLineSearch: 5 17:02:46 -75.104235 0.000267 LBFGSLineSearch: 6 17:02:46 -75.104235 0.000137 LBFGSLineSearch: 7 17:02:46 -75.104235 0.000124 LBFGSLineSearch: 8 17:02:46 -75.104235 0.000126 LBFGSLineSearch: 9 17:02:47 -75.104235 0.000072 LBFGSLineSearch: 10 17:02:47 -75.104235 0.000068 LBFGSLineSearch: 11 17:02:47 -75.104235 0.000051 LBFGSLineSearch: 12 17:02:47 -75.104235 0.000069 LBFGSLineSearch: 13 17:02:47 -75.104235 0.000035 LBFGSLineSearch: 14 17:02:48 -75.104235 0.000020 LBFGSLineSearch: 15 17:02:48 -75.104235 0.000011 LBFGSLineSearch: 16 17:02:48 -75.104235 0.000007 Minimization converged after 16 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:53 -74.970529 0.013374 LBFGSLineSearch: 1 17:02:53 -74.970566 0.004056 LBFGSLineSearch: 2 17:02:54 -74.970568 0.001089 LBFGSLineSearch: 3 17:02:54 -74.970569 0.000338 LBFGSLineSearch: 4 17:02:55 -74.970569 0.000314 LBFGSLineSearch: 5 17:02:55 -74.970569 0.000328 LBFGSLineSearch: 6 17:02:57 -74.970569 0.000193 LBFGSLineSearch: 7 17:02:58 -74.970569 0.000152 LBFGSLineSearch: 8 17:02:58 -74.970569 0.000104 LBFGSLineSearch: 9 17:02:59 -74.970569 0.000116 LBFGSLineSearch: 10 17:02:59 -74.970569 0.000068 LBFGSLineSearch: 11 17:02:59 -74.970569 0.000057 LBFGSLineSearch: 12 17:03:00 -74.970569 0.000071 LBFGSLineSearch: 13 17:03:00 -74.970569 0.000033 LBFGSLineSearch: 14 17:03:00 -74.970569 0.000022 LBFGSLineSearch: 15 17:03:01 -74.970569 0.000013 LBFGSLineSearch: 16 17:03:01 -74.970569 0.000011 LBFGSLineSearch: 17 17:03:01 -74.970569 0.000003 Minimization converged after 17 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:05 -74.820578 0.015001 LBFGSLineSearch: 1 17:03:06 -74.820625 0.004538 LBFGSLineSearch: 2 17:03:06 -74.820628 0.001218 LBFGSLineSearch: 3 17:03:06 -74.820628 0.000385 LBFGSLineSearch: 4 17:03:06 -74.820628 0.000354 LBFGSLineSearch: 5 17:03:07 -74.820628 0.000367 LBFGSLineSearch: 6 17:03:07 -74.820628 0.000229 LBFGSLineSearch: 7 17:03:07 -74.820628 0.000158 LBFGSLineSearch: 8 17:03:07 -74.820628 0.000127 LBFGSLineSearch: 9 17:03:08 -74.820628 0.000130 LBFGSLineSearch: 10 17:03:08 -74.820628 0.000080 LBFGSLineSearch: 11 17:03:08 -74.820628 0.000080 LBFGSLineSearch: 12 17:03:08 -74.820628 0.000086 LBFGSLineSearch: 13 17:03:08 -74.820628 0.000045 LBFGSLineSearch: 14 17:03:09 -74.820628 0.000025 LBFGSLineSearch: 15 17:03:09 -74.820628 0.000014 LBFGSLineSearch: 16 17:03:09 -74.820628 0.000009 Minimization converged after 16 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:14 -74.652382 0.016825 LBFGSLineSearch: 1 17:03:15 -74.652441 0.005075 LBFGSLineSearch: 2 17:03:15 -74.652444 0.001363 LBFGSLineSearch: 3 17:03:15 -74.652445 0.000432 LBFGSLineSearch: 4 17:03:16 -74.652445 0.000396 LBFGSLineSearch: 5 17:03:16 -74.652445 0.000410 LBFGSLineSearch: 6 17:03:16 -74.652445 0.000272 LBFGSLineSearch: 7 17:03:16 -74.652445 0.000177 LBFGSLineSearch: 8 17:03:17 -74.652445 0.000156 LBFGSLineSearch: 9 17:03:17 -74.652445 0.000123 LBFGSLineSearch: 10 17:03:18 -74.652445 0.000155 LBFGSLineSearch: 11 17:03:18 -74.652445 0.000087 LBFGSLineSearch: 12 17:03:18 -74.652445 0.000094 LBFGSLineSearch: 13 17:03:19 -74.652445 0.000050 LBFGSLineSearch: 14 17:03:19 -74.652445 0.000079 LBFGSLineSearch: 15 17:03:19 -74.652445 0.000036 LBFGSLineSearch: 16 17:03:20 -74.652445 0.000022 LBFGSLineSearch: 17 17:03:20 -74.652445 0.000015 LBFGSLineSearch: 18 17:03:20 -74.652445 0.000008 Minimization converged after 18 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:26 -74.463736 0.018873 LBFGSLineSearch: 1 17:03:26 -74.463810 0.005679 LBFGSLineSearch: 2 17:03:26 -74.463815 0.001525 LBFGSLineSearch: 3 17:03:27 -74.463815 0.000484 LBFGSLineSearch: 4 17:03:27 -74.463815 0.000446 LBFGSLineSearch: 5 17:03:27 -74.463815 0.000460 LBFGSLineSearch: 6 17:03:27 -74.463815 0.000206 LBFGSLineSearch: 7 17:03:28 -74.463815 0.000157 LBFGSLineSearch: 8 17:03:28 -74.463815 0.000107 LBFGSLineSearch: 9 17:03:28 -74.463815 0.000139 LBFGSLineSearch: 10 17:03:28 -74.463815 0.000079 LBFGSLineSearch: 11 17:03:28 -74.463815 0.000082 LBFGSLineSearch: 12 17:03:29 -74.463815 0.000053 LBFGSLineSearch: 13 17:03:29 -74.463815 0.000028 LBFGSLineSearch: 14 17:03:29 -74.463815 0.000019 LBFGSLineSearch: 15 17:03:29 -74.463815 0.000005 Minimization converged after 15 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:34 -74.252175 0.021167 LBFGSLineSearch: 1 17:03:35 -74.252268 0.006735 LBFGSLineSearch: 2 17:03:35 -74.252274 0.001621 LBFGSLineSearch: 3 17:03:35 -74.252275 0.001220 LBFGSLineSearch: 4 17:03:36 -74.252275 0.000781 LBFGSLineSearch: 5 17:03:36 -74.252275 0.000527 LBFGSLineSearch: 6 17:03:36 -74.252275 0.000707 LBFGSLineSearch: 7 17:03:37 -74.252275 0.000515 LBFGSLineSearch: 8 17:03:37 -74.252275 0.000332 LBFGSLineSearch: 9 17:03:37 -74.252275 0.000472 LBFGSLineSearch: 10 17:03:38 -74.252275 0.000265 LBFGSLineSearch: 11 17:03:38 -74.252275 0.000192 LBFGSLineSearch: 12 17:03:38 -74.252275 0.000130 LBFGSLineSearch: 13 17:03:38 -74.252275 0.000092 LBFGSLineSearch: 14 17:03:38 -74.252275 0.000049 LBFGSLineSearch: 15 17:03:39 -74.252275 0.000017 LBFGSLineSearch: 16 17:03:39 -74.252275 0.000011 LBFGSLineSearch: 17 17:03:39 -74.252275 0.000008 Minimization converged after 17 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:44 -74.014944 0.023737 LBFGSLineSearch: 1 17:03:45 -74.015062 0.007932 LBFGSLineSearch: 2 17:03:46 -74.015070 0.001716 LBFGSLineSearch: 3 17:03:46 -74.015071 0.000871 LBFGSLineSearch: 4 17:03:46 -74.015071 0.000792 LBFGSLineSearch: 5 17:03:47 -74.015071 0.000874 LBFGSLineSearch: 6 17:03:47 -74.015071 0.000627 LBFGSLineSearch: 7 17:03:47 -74.015071 0.000412 LBFGSLineSearch: 8 17:03:47 -74.015071 0.000509 LBFGSLineSearch: 9 17:03:48 -74.015071 0.000530 LBFGSLineSearch: 10 17:03:48 -74.015071 0.000294 LBFGSLineSearch: 11 17:03:48 -74.015071 0.000218 LBFGSLineSearch: 12 17:03:48 -74.015071 0.000074 LBFGSLineSearch: 13 17:03:48 -74.015072 0.000088 LBFGSLineSearch: 14 17:03:49 -74.015072 0.000020 LBFGSLineSearch: 15 17:03:49 -74.015072 0.000018 LBFGSLineSearch: 16 17:03:49 -74.015072 0.000012 LBFGSLineSearch: 17 17:03:50 -74.015072 0.000010 Minimization converged after 17 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:55 -73.748962 0.026616 LBFGSLineSearch: 1 17:03:55 -73.749109 0.008646 LBFGSLineSearch: 2 17:03:55 -73.749119 0.001971 LBFGSLineSearch: 3 17:03:55 -73.749120 0.000891 LBFGSLineSearch: 4 17:03:55 -73.749120 0.000723 LBFGSLineSearch: 5 17:03:55 -73.749120 0.000839 LBFGSLineSearch: 6 17:03:55 -73.749120 0.000597 LBFGSLineSearch: 7 17:03:56 -73.749120 0.000381 LBFGSLineSearch: 8 17:03:56 -73.749120 0.000484 LBFGSLineSearch: 9 17:03:56 -73.749120 0.000525 LBFGSLineSearch: 10 17:03:56 -73.749120 0.000274 LBFGSLineSearch: 11 17:03:56 -73.749120 0.000235 LBFGSLineSearch: 12 17:03:56 -73.749120 0.000103 LBFGSLineSearch: 13 17:03:57 -73.749120 0.000102 LBFGSLineSearch: 14 17:03:57 -73.749120 0.000019 LBFGSLineSearch: 15 17:03:57 -73.749120 0.000022 LBFGSLineSearch: 16 17:03:58 -73.749120 0.000013 LBFGSLineSearch: 17 17:03:58 -73.749120 0.000008 Minimization converged after 17 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:03 -73.450777 0.029838 LBFGSLineSearch: 1 17:04:03 -73.450961 0.009428 LBFGSLineSearch: 2 17:04:03 -73.450973 0.002251 LBFGSLineSearch: 3 17:04:04 -73.450974 0.000917 LBFGSLineSearch: 4 17:04:04 -73.450974 0.000709 LBFGSLineSearch: 5 17:04:04 -73.450974 0.000805 LBFGSLineSearch: 6 17:04:04 -73.450975 0.000563 LBFGSLineSearch: 7 17:04:04 -73.450975 0.000352 LBFGSLineSearch: 8 17:04:05 -73.450975 0.000591 LBFGSLineSearch: 9 17:04:05 -73.450975 0.000282 LBFGSLineSearch: 10 17:04:05 -73.450975 0.000152 LBFGSLineSearch: 11 17:04:05 -73.450975 0.000036 LBFGSLineSearch: 12 17:04:06 -73.450975 0.000036 LBFGSLineSearch: 13 17:04:06 -73.450975 0.000018 LBFGSLineSearch: 14 17:04:06 -73.450975 0.000014 LBFGSLineSearch: 15 17:04:07 -73.450975 0.000008 Minimization converged after 15 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:11 -73.116539 0.033447 LBFGSLineSearch: 1 17:04:12 -73.116768 0.010307 LBFGSLineSearch: 2 17:04:12 -73.116782 0.002556 LBFGSLineSearch: 3 17:04:12 -73.116784 0.000951 LBFGSLineSearch: 4 17:04:12 -73.116784 0.000738 LBFGSLineSearch: 5 17:04:12 -73.116784 0.000776 LBFGSLineSearch: 6 17:04:13 -73.116784 0.000525 LBFGSLineSearch: 7 17:04:13 -73.116784 0.000354 LBFGSLineSearch: 8 17:04:13 -73.116784 0.000556 LBFGSLineSearch: 9 17:04:13 -73.116784 0.000284 LBFGSLineSearch: 10 17:04:14 -73.116784 0.000173 LBFGSLineSearch: 11 17:04:14 -73.116784 0.000054 LBFGSLineSearch: 12 17:04:14 -73.116784 0.000054 LBFGSLineSearch: 13 17:04:14 -73.116784 0.000028 LBFGSLineSearch: 14 17:04:14 -73.116784 0.000019 LBFGSLineSearch: 15 17:04:14 -73.116784 0.000010 Minimization converged after 15 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:20 -72.741943 0.037487 LBFGSLineSearch: 1 17:04:20 -72.742229 0.011291 LBFGSLineSearch: 2 17:04:21 -72.742247 0.002891 LBFGSLineSearch: 3 17:04:21 -72.742248 0.000994 LBFGSLineSearch: 4 17:04:21 -72.742249 0.000774 LBFGSLineSearch: 5 17:04:21 -72.742249 0.000810 LBFGSLineSearch: 6 17:04:22 -72.742249 0.000487 LBFGSLineSearch: 7 17:04:22 -72.742249 0.000358 LBFGSLineSearch: 8 17:04:22 -72.742249 0.000498 LBFGSLineSearch: 9 17:04:23 -72.742249 0.000231 LBFGSLineSearch: 10 17:04:23 -72.742249 0.000275 LBFGSLineSearch: 11 17:04:23 -72.742249 0.000178 LBFGSLineSearch: 12 17:04:24 -72.742249 0.000149 LBFGSLineSearch: 13 17:04:24 -72.742249 0.000109 LBFGSLineSearch: 14 17:04:24 -72.742249 0.000048 LBFGSLineSearch: 15 17:04:24 -72.742249 0.000050 LBFGSLineSearch: 16 17:04:25 -72.742249 0.000022 LBFGSLineSearch: 17 17:04:25 -72.742249 0.000008 Minimization converged after 17 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:29 -72.322189 0.042009 LBFGSLineSearch: 1 17:04:29 -72.322546 0.012391 LBFGSLineSearch: 2 17:04:30 -72.322568 0.003259 LBFGSLineSearch: 3 17:04:30 -72.322570 0.001047 LBFGSLineSearch: 4 17:04:31 -72.322570 0.000940 LBFGSLineSearch: 5 17:04:31 -72.322570 0.000944 LBFGSLineSearch: 6 17:04:32 -72.322570 0.000476 LBFGSLineSearch: 7 17:04:32 -72.322570 0.000344 LBFGSLineSearch: 8 17:04:32 -72.322570 0.000487 LBFGSLineSearch: 9 17:04:33 -72.322570 0.000219 LBFGSLineSearch: 10 17:04:33 -72.322570 0.000270 LBFGSLineSearch: 11 17:04:33 -72.322570 0.000184 LBFGSLineSearch: 12 17:04:34 -72.322570 0.000163 LBFGSLineSearch: 13 17:04:34 -72.322570 0.000096 LBFGSLineSearch: 14 17:04:35 -72.322570 0.000059 LBFGSLineSearch: 15 17:04:36 -72.322570 0.000060 LBFGSLineSearch: 16 17:04:36 -72.322570 0.000027 LBFGSLineSearch: 17 17:04:36 -72.322570 0.000009 Minimization converged after 17 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:41 -71.851923 0.047067 LBFGSLineSearch: 1 17:04:41 -71.852368 0.013690 LBFGSLineSearch: 2 17:04:41 -71.852393 0.003590 LBFGSLineSearch: 3 17:04:42 -71.852396 0.001954 LBFGSLineSearch: 4 17:04:42 -71.852396 0.001016 LBFGSLineSearch: 5 17:04:42 -71.852397 0.001049 LBFGSLineSearch: 6 17:04:42 -71.852397 0.000958 LBFGSLineSearch: 7 17:04:42 -71.852397 0.000513 LBFGSLineSearch: 8 17:04:43 -71.852397 0.000338 LBFGSLineSearch: 9 17:04:43 -71.852397 0.000452 LBFGSLineSearch: 10 17:04:43 -71.852397 0.000196 LBFGSLineSearch: 11 17:04:43 -71.852397 0.000244 LBFGSLineSearch: 12 17:04:43 -71.852397 0.000184 LBFGSLineSearch: 13 17:04:43 -71.852397 0.000160 LBFGSLineSearch: 14 17:04:44 -71.852397 0.000096 LBFGSLineSearch: 15 17:04:44 -71.852397 0.000070 LBFGSLineSearch: 16 17:04:44 -71.852397 0.000041 LBFGSLineSearch: 17 17:04:44 -71.852397 0.000033 LBFGSLineSearch: 18 17:04:45 -71.852397 0.000009 Minimization converged after 18 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:50 -71.325175 0.052724 LBFGSLineSearch: 1 17:04:50 -71.325729 0.015339 LBFGSLineSearch: 2 17:04:51 -71.325760 0.003942 LBFGSLineSearch: 3 17:04:51 -71.325762 0.003015 LBFGSLineSearch: 4 17:04:51 -71.325764 0.001378 LBFGSLineSearch: 5 17:04:52 -71.325764 0.000804 LBFGSLineSearch: 6 17:04:52 -71.325765 0.000545 LBFGSLineSearch: 7 17:04:52 -71.325765 0.000624 LBFGSLineSearch: 8 17:04:52 -71.325765 0.000452 LBFGSLineSearch: 9 17:04:52 -71.325765 0.000274 LBFGSLineSearch: 10 17:04:53 -71.325765 0.000229 LBFGSLineSearch: 11 17:04:53 -71.325765 0.000127 LBFGSLineSearch: 12 17:04:53 -71.325765 0.000099 LBFGSLineSearch: 13 17:04:53 -71.325765 0.000102 LBFGSLineSearch: 14 17:04:54 -71.325765 0.000047 LBFGSLineSearch: 15 17:04:54 -71.325765 0.000015 LBFGSLineSearch: 16 17:04:55 -71.325765 0.000004 Minimization converged after 16 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:00 -70.735299 0.059049 LBFGSLineSearch: 1 17:05:00 -70.735844 0.027210 LBFGSLineSearch: 2 17:05:00 -70.736007 0.013119 LBFGSLineSearch: 3 17:05:01 -70.736026 0.005150 LBFGSLineSearch: 4 17:05:01 -70.736028 0.003325 LBFGSLineSearch: 5 17:05:01 -70.736030 0.002363 LBFGSLineSearch: 6 17:05:02 -70.736031 0.001381 LBFGSLineSearch: 7 17:05:02 -70.736031 0.000712 LBFGSLineSearch: 8 17:05:02 -70.736032 0.000464 LBFGSLineSearch: 9 17:05:02 -70.736032 0.000588 LBFGSLineSearch: 10 17:05:03 -70.736032 0.000403 LBFGSLineSearch: 11 17:05:03 -70.736032 0.000259 LBFGSLineSearch: 12 17:05:04 -70.736032 0.000222 LBFGSLineSearch: 13 17:05:04 -70.736032 0.000120 LBFGSLineSearch: 14 17:05:05 -70.736032 0.000093 LBFGSLineSearch: 15 17:05:05 -70.736032 0.000080 LBFGSLineSearch: 16 17:05:06 -70.736032 0.000030 LBFGSLineSearch: 17 17:05:06 -70.736032 0.000012 LBFGSLineSearch: 18 17:05:06 -70.736032 0.000006 Minimization converged after 18 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:11 -70.074898 0.066116 LBFGSLineSearch: 1 17:05:11 -70.075578 0.030150 LBFGSLineSearch: 2 17:05:11 -70.075778 0.014546 LBFGSLineSearch: 3 17:05:12 -70.075800 0.005700 LBFGSLineSearch: 4 17:05:12 -70.075803 0.003693 LBFGSLineSearch: 5 17:05:12 -70.075805 0.002666 LBFGSLineSearch: 6 17:05:13 -70.075807 0.001586 LBFGSLineSearch: 7 17:05:13 -70.075807 0.000807 LBFGSLineSearch: 8 17:05:13 -70.075807 0.000525 LBFGSLineSearch: 9 17:05:14 -70.075807 0.000656 LBFGSLineSearch: 10 17:05:15 -70.075808 0.000436 LBFGSLineSearch: 11 17:05:15 -70.075808 0.000270 LBFGSLineSearch: 12 17:05:16 -70.075808 0.000238 LBFGSLineSearch: 13 17:05:17 -70.075808 0.000138 LBFGSLineSearch: 14 17:05:17 -70.075808 0.000106 LBFGSLineSearch: 15 17:05:17 -70.075808 0.000064 LBFGSLineSearch: 16 17:05:17 -70.075808 0.000017 LBFGSLineSearch: 17 17:05:18 -70.075808 0.000014 LBFGSLineSearch: 18 17:05:18 -70.075808 0.000010 Minimization converged after 18 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:23 -69.335747 0.074011 LBFGSLineSearch: 1 17:05:24 -69.336598 0.033383 LBFGSLineSearch: 2 17:05:24 -69.336840 0.016110 LBFGSLineSearch: 3 17:05:24 -69.336867 0.006299 LBFGSLineSearch: 4 17:05:24 -69.336871 0.004093 LBFGSLineSearch: 5 17:05:25 -69.336873 0.002990 LBFGSLineSearch: 6 17:05:25 -69.336875 0.001805 LBFGSLineSearch: 7 17:05:25 -69.336876 0.000906 LBFGSLineSearch: 8 17:05:25 -69.336876 0.000598 LBFGSLineSearch: 9 17:05:26 -69.336876 0.000740 LBFGSLineSearch: 10 17:05:26 -69.336876 0.000482 LBFGSLineSearch: 11 17:05:26 -69.336876 0.000287 LBFGSLineSearch: 12 17:05:27 -69.336876 0.000256 LBFGSLineSearch: 13 17:05:27 -69.336876 0.000162 LBFGSLineSearch: 14 17:05:27 -69.336876 0.000143 LBFGSLineSearch: 15 17:05:27 -69.336876 0.000088 LBFGSLineSearch: 16 17:05:28 -69.336876 0.000055 LBFGSLineSearch: 17 17:05:28 -69.336876 0.000059 LBFGSLineSearch: 18 17:05:28 -69.336876 0.000017 LBFGSLineSearch: 19 17:05:29 -69.336876 0.000015 LBFGSLineSearch: 20 17:05:29 -69.336876 0.000012 LBFGSLineSearch: 21 17:05:29 -69.336876 0.000008 Minimization converged after 21 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:34 -68.508715 0.082817 LBFGSLineSearch: 1 17:05:34 -68.509775 0.036913 LBFGSLineSearch: 2 17:05:34 -68.510069 0.017821 LBFGSLineSearch: 3 17:05:34 -68.510102 0.006947 LBFGSLineSearch: 4 17:05:34 -68.510106 0.004525 LBFGSLineSearch: 5 17:05:35 -68.510109 0.003338 LBFGSLineSearch: 6 17:05:36 -68.510112 0.002037 LBFGSLineSearch: 7 17:05:36 -68.510113 0.001009 LBFGSLineSearch: 8 17:05:37 -68.510113 0.000696 LBFGSLineSearch: 9 17:05:37 -68.510113 0.000842 LBFGSLineSearch: 10 17:05:37 -68.510113 0.000542 LBFGSLineSearch: 11 17:05:37 -68.510113 0.000306 LBFGSLineSearch: 12 17:05:38 -68.510113 0.000273 LBFGSLineSearch: 13 17:05:38 -68.510113 0.000194 LBFGSLineSearch: 14 17:05:38 -68.510113 0.000140 LBFGSLineSearch: 15 17:05:38 -68.510113 0.000113 LBFGSLineSearch: 16 17:05:39 -68.510113 0.000092 LBFGSLineSearch: 17 17:05:39 -68.510113 0.000030 LBFGSLineSearch: 18 17:05:39 -68.510113 0.000026 LBFGSLineSearch: 19 17:05:39 -68.510113 0.000023 LBFGSLineSearch: 20 17:05:40 -68.510113 0.000020 LBFGSLineSearch: 21 17:05:40 -68.510113 0.000019 LBFGSLineSearch: 22 17:05:40 -68.510113 0.000002 Minimization converged after 22 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:45 -67.583664 0.092646 LBFGSLineSearch: 1 17:05:45 -67.584986 0.040734 LBFGSLineSearch: 2 17:05:45 -67.585342 0.019683 LBFGSLineSearch: 3 17:05:45 -67.585381 0.007649 LBFGSLineSearch: 4 17:05:46 -67.585386 0.004993 LBFGSLineSearch: 5 17:05:46 -67.585390 0.003708 LBFGSLineSearch: 6 17:05:47 -67.585393 0.002279 LBFGSLineSearch: 7 17:05:47 -67.585394 0.001115 LBFGSLineSearch: 8 17:05:47 -67.585394 0.000813 LBFGSLineSearch: 9 17:05:48 -67.585395 0.000963 LBFGSLineSearch: 10 17:05:49 -67.585395 0.000620 LBFGSLineSearch: 11 17:05:49 -67.585395 0.000325 LBFGSLineSearch: 12 17:05:49 -67.585395 0.000321 LBFGSLineSearch: 13 17:05:50 -67.585395 0.000241 LBFGSLineSearch: 14 17:05:50 -67.585395 0.000145 LBFGSLineSearch: 15 17:05:50 -67.585395 0.000167 LBFGSLineSearch: 16 17:05:51 -67.585395 0.000132 LBFGSLineSearch: 17 17:05:51 -67.585395 0.000123 LBFGSLineSearch: 18 17:05:52 -67.585395 0.000050 LBFGSLineSearch: 19 17:05:52 -67.585395 0.000041 LBFGSLineSearch: 20 17:05:53 -67.585395 0.000042 LBFGSLineSearch: 21 17:05:54 -67.585395 0.000038 LBFGSLineSearch: 22 17:05:54 -67.585395 0.000037 LBFGSLineSearch: 23 17:05:54 -67.585395 0.000018 LBFGSLineSearch: 24 17:05:55 -67.585395 0.000002 Minimization converged after 24 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:59 -66.549364 0.103605 LBFGSLineSearch: 1 17:06:00 -66.551010 0.044878 LBFGSLineSearch: 2 17:06:00 -66.551437 0.021704 LBFGSLineSearch: 3 17:06:00 -66.551484 0.008403 LBFGSLineSearch: 4 17:06:01 -66.551491 0.005498 LBFGSLineSearch: 5 17:06:01 -66.551495 0.004106 LBFGSLineSearch: 6 17:06:01 -66.551499 0.002540 LBFGSLineSearch: 7 17:06:02 -66.551501 0.001227 LBFGSLineSearch: 8 17:06:02 -66.551501 0.000956 LBFGSLineSearch: 9 17:06:02 -66.551501 0.001114 LBFGSLineSearch: 10 17:06:02 -66.551501 0.000721 LBFGSLineSearch: 11 17:06:03 -66.551501 0.000371 LBFGSLineSearch: 12 17:06:03 -66.551501 0.000411 LBFGSLineSearch: 13 17:06:03 -66.551502 0.000245 LBFGSLineSearch: 14 17:06:03 -66.551502 0.000242 LBFGSLineSearch: 15 17:06:04 -66.551502 0.000247 LBFGSLineSearch: 16 17:06:04 -66.551502 0.000190 LBFGSLineSearch: 17 17:06:04 -66.551502 0.000152 LBFGSLineSearch: 18 17:06:04 -66.551502 0.000110 LBFGSLineSearch: 19 17:06:05 -66.551502 0.000066 LBFGSLineSearch: 20 17:06:05 -66.551502 0.000064 LBFGSLineSearch: 21 17:06:05 -66.551502 0.000097 LBFGSLineSearch: 22 17:06:06 -66.551502 0.000050 LBFGSLineSearch: 23 17:06:06 -66.551502 0.000053 LBFGSLineSearch: 24 17:06:06 -66.551502 0.000052 LBFGSLineSearch: 25 17:06:07 -66.551502 0.000021 LBFGSLineSearch: 26 17:06:07 -66.551502 0.000015 LBFGSLineSearch: 27 17:06:07 -66.551502 0.000003 Minimization converged after 27 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:12 -65.393378 0.115814 LBFGSLineSearch: 1 17:06:12 -65.395424 0.049385 LBFGSLineSearch: 2 17:06:13 -65.395936 0.023888 LBFGSLineSearch: 3 17:06:13 -65.395992 0.009211 LBFGSLineSearch: 4 17:06:13 -65.396000 0.006040 LBFGSLineSearch: 5 17:06:14 -65.396006 0.004538 LBFGSLineSearch: 6 17:06:14 -65.396011 0.002825 LBFGSLineSearch: 7 17:06:15 -65.396012 0.001350 LBFGSLineSearch: 8 17:06:15 -65.396013 0.001137 LBFGSLineSearch: 9 17:06:16 -65.396013 0.001305 LBFGSLineSearch: 10 17:06:16 -65.396013 0.000856 LBFGSLineSearch: 11 17:06:16 -65.396014 0.000486 LBFGSLineSearch: 12 17:06:17 -65.396014 0.000454 LBFGSLineSearch: 13 17:06:17 -65.396014 0.000554 LBFGSLineSearch: 14 17:06:17 -65.396014 0.000362 LBFGSLineSearch: 15 17:06:17 -65.396014 0.000285 LBFGSLineSearch: 16 17:06:18 -65.396014 0.000114 LBFGSLineSearch: 17 17:06:18 -65.396014 0.000094 LBFGSLineSearch: 18 17:06:18 -65.396014 0.000107 LBFGSLineSearch: 19 17:06:18 -65.396014 0.000092 LBFGSLineSearch: 20 17:06:19 -65.396014 0.000112 LBFGSLineSearch: 21 17:06:20 -65.396014 0.000090 LBFGSLineSearch: 22 17:06:21 -65.396014 0.000045 LBFGSLineSearch: 23 17:06:22 -65.396014 0.000035 LBFGSLineSearch: 24 17:06:22 -65.396014 0.000031 LBFGSLineSearch: 25 17:06:23 -65.396014 0.000004 Minimization converged after 25 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:28 -64.101958 0.129409 LBFGSLineSearch: 1 17:06:28 -64.104498 0.054209 LBFGSLineSearch: 2 17:06:28 -64.105106 0.026240 LBFGSLineSearch: 3 17:06:29 -64.105174 0.010074 LBFGSLineSearch: 4 17:06:29 -64.105184 0.006623 LBFGSLineSearch: 5 17:06:29 -64.105190 0.005012 LBFGSLineSearch: 6 17:06:30 -64.105197 0.003146 LBFGSLineSearch: 7 17:06:30 -64.105198 0.001494 LBFGSLineSearch: 8 17:06:30 -64.105199 0.001381 LBFGSLineSearch: 9 17:06:31 -64.105199 0.001557 LBFGSLineSearch: 10 17:06:31 -64.105200 0.001047 LBFGSLineSearch: 11 17:06:31 -64.105200 0.000648 LBFGSLineSearch: 12 17:06:32 -64.105200 0.000641 LBFGSLineSearch: 13 17:06:32 -64.105200 0.000756 LBFGSLineSearch: 14 17:06:32 -64.105200 0.000566 LBFGSLineSearch: 15 17:06:33 -64.105200 0.000466 LBFGSLineSearch: 16 17:06:33 -64.105201 0.000272 LBFGSLineSearch: 17 17:06:33 -64.105201 0.000209 LBFGSLineSearch: 18 17:06:34 -64.105201 0.000187 LBFGSLineSearch: 19 17:06:34 -64.105201 0.000197 LBFGSLineSearch: 20 17:06:34 -64.105201 0.000193 LBFGSLineSearch: 21 17:06:34 -64.105201 0.000174 LBFGSLineSearch: 22 17:06:35 -64.105201 0.000138 LBFGSLineSearch: 23 17:06:35 -64.105201 0.000106 LBFGSLineSearch: 24 17:06:35 -64.105201 0.000076 LBFGSLineSearch: 25 17:06:35 -64.105201 0.000048 LBFGSLineSearch: 26 17:06:36 -64.105201 0.000022 LBFGSLineSearch: 27 17:06:36 -64.105201 0.000007 Minimization converged after 27 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:41 -62.659921 0.144533 LBFGSLineSearch: 1 17:06:42 -62.663069 0.059318 LBFGSLineSearch: 2 17:06:42 -62.663787 0.028765 LBFGSLineSearch: 3 17:06:43 -62.663868 0.010996 LBFGSLineSearch: 4 17:06:43 -62.663879 0.007252 LBFGSLineSearch: 5 17:06:43 -62.663887 0.005547 LBFGSLineSearch: 6 17:06:44 -62.663895 0.003534 LBFGSLineSearch: 7 17:06:44 -62.663897 0.001690 LBFGSLineSearch: 8 17:06:44 -62.663898 0.001749 LBFGSLineSearch: 9 17:06:45 -62.663899 0.001927 LBFGSLineSearch: 10 17:06:45 -62.663900 0.001363 LBFGSLineSearch: 11 17:06:46 -62.663900 0.000915 LBFGSLineSearch: 12 17:06:46 -62.663900 0.001018 LBFGSLineSearch: 13 17:06:46 -62.663900 0.001195 LBFGSLineSearch: 14 17:06:47 -62.663901 0.001004 LBFGSLineSearch: 15 17:06:47 -62.663901 0.000629 LBFGSLineSearch: 16 17:06:47 -62.663901 0.001169 LBFGSLineSearch: 17 17:06:48 -62.663901 0.000456 LBFGSLineSearch: 18 17:06:48 -62.663901 0.000381 LBFGSLineSearch: 19 17:06:48 -62.663901 0.000397 LBFGSLineSearch: 20 17:06:49 -62.663901 0.000268 LBFGSLineSearch: 21 17:06:49 -62.663901 0.000315 LBFGSLineSearch: 22 17:06:49 -62.663901 0.000321 LBFGSLineSearch: 23 17:06:49 -62.663902 0.000105 LBFGSLineSearch: 24 17:06:49 -62.663902 0.000021 LBFGSLineSearch: 25 17:06:50 -62.663902 0.000021 LBFGSLineSearch: 26 17:06:50 -62.663902 0.000002 Minimization converged after 26 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:55 -61.050526 0.161338 LBFGSLineSearch: 1 17:06:55 -61.054422 0.064669 LBFGSLineSearch: 2 17:06:55 -61.055262 0.031476 LBFGSLineSearch: 3 17:06:55 -61.055357 0.011986 LBFGSLineSearch: 4 17:06:56 -61.055371 0.007935 LBFGSLineSearch: 5 17:06:56 -61.055381 0.006177 LBFGSLineSearch: 6 17:06:57 -61.055391 0.004083 LBFGSLineSearch: 7 17:06:57 -61.055394 0.002061 LBFGSLineSearch: 8 17:06:57 -61.055395 0.002502 LBFGSLineSearch: 9 17:06:58 -61.055396 0.002716 LBFGSLineSearch: 10 17:06:58 -61.055399 0.002281 LBFGSLineSearch: 11 17:06:58 -61.055401 0.002730 LBFGSLineSearch: 12 17:06:58 -61.055403 0.002750 LBFGSLineSearch: 13 17:06:59 -61.071764 0.545488 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 13 steps. Final forces: [[ 3.59223296e-02 1.42916985e-19 -5.43873396e-01] [-3.59223296e-02 -1.42916985e-19 5.43873396e-01] [-1.05907557e-02 -7.46566127e-21 2.70806163e-02] [ 1.05907557e-02 7.46566127e-21 -2.70806163e-02] [-1.40416823e-01 4.66672406e-20 -2.00816086e-01] [ 1.40416823e-01 -4.66672406e-20 2.00816086e-01] [ 4.03869166e-02 8.68326183e-21 -2.72129807e-02] [-4.03869166e-02 -8.68326183e-21 2.72129807e-02] [-1.97461952e-01 -6.82156094e-20 2.32073238e-01] [ 1.97461952e-01 6.82156094e-20 -2.32073238e-01]] Final stress: [-9.78644869e-02 -9.11717435e-02 -1.09727738e-01 -8.44381979e-22 9.81307217e-03 3.38635813e-21] Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:04 -59.272045 0.545058 LBFGSLineSearch: 1 17:07:05 -59.734974 0.817640 LBFGSLineSearch: 2 17:07:05 -59.740406 0.847483 LBFGSLineSearch: 3 17:07:05 -59.825058 0.354602 LBFGSLineSearch: 4 17:07:05 -59.842918 0.175112 LBFGSLineSearch: 5 17:07:06 -59.849911 0.173012 LBFGSLineSearch: 6 17:07:06 -59.856053 0.199492 LBFGSLineSearch: 7 17:07:06 -59.862737 0.147181 LBFGSLineSearch: 8 17:07:06 -59.865819 0.116870 LBFGSLineSearch: 9 17:07:06 -59.867129 0.050834 LBFGSLineSearch: 10 17:07:06 -59.867703 0.033511 LBFGSLineSearch: 11 17:07:07 -59.867929 0.020048 LBFGSLineSearch: 12 17:07:07 -59.867959 0.014072 LBFGSLineSearch: 13 17:07:07 -59.868000 0.013293 LBFGSLineSearch: 14 17:07:07 -59.868031 0.009054 LBFGSLineSearch: 15 17:07:08 -59.868043 0.007645 LBFGSLineSearch: 16 17:07:08 -59.868048 0.006521 LBFGSLineSearch: 17 17:07:08 -59.868053 0.005078 LBFGSLineSearch: 18 17:07:08 -59.868057 0.003317 LBFGSLineSearch: 19 17:07:09 -59.868058 0.000746 LBFGSLineSearch: 20 17:07:09 -59.868059 0.000689 LBFGSLineSearch: 21 17:07:10 -59.868059 0.000366 LBFGSLineSearch: 22 17:07:10 -59.868059 0.000284 LBFGSLineSearch: 23 17:07:11 -59.868059 0.000306 LBFGSLineSearch: 24 17:07:12 -59.868059 0.000114 LBFGSLineSearch: 25 17:07:12 -59.868059 0.000094 LBFGSLineSearch: 26 17:07:12 -59.868059 0.000037 LBFGSLineSearch: 27 17:07:13 -59.868059 0.000000 Minimization converged after 27 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:18 -57.865090 0.200297 LBFGSLineSearch: 1 17:07:18 -57.871007 0.076310 LBFGSLineSearch: 2 17:07:18 -57.872160 0.039234 LBFGSLineSearch: 3 17:07:18 -57.872309 0.012698 LBFGSLineSearch: 4 17:07:19 -57.872330 0.007203 LBFGSLineSearch: 5 17:07:19 -57.872340 0.007105 LBFGSLineSearch: 6 17:07:19 -57.872351 0.006179 LBFGSLineSearch: 7 17:07:20 -57.872354 0.002338 LBFGSLineSearch: 8 17:07:20 -57.872355 0.001705 LBFGSLineSearch: 9 17:07:20 -57.872355 0.001274 LBFGSLineSearch: 10 17:07:20 -57.872356 0.001278 LBFGSLineSearch: 11 17:07:21 -57.872356 0.001183 LBFGSLineSearch: 12 17:07:21 -57.872356 0.000564 LBFGSLineSearch: 13 17:07:21 -57.872356 0.000127 LBFGSLineSearch: 14 17:07:21 -57.872356 0.000100 LBFGSLineSearch: 15 17:07:21 -57.872356 0.000146 LBFGSLineSearch: 16 17:07:22 -57.872356 0.000090 LBFGSLineSearch: 17 17:07:22 -57.872356 0.000079 LBFGSLineSearch: 18 17:07:22 -57.872356 0.000054 LBFGSLineSearch: 19 17:07:23 -57.872356 0.000037 LBFGSLineSearch: 20 17:07:23 -57.872356 0.000007 Minimization converged after 20 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:27 -55.640308 0.223209 LBFGSLineSearch: 1 17:07:28 -55.647582 0.081885 LBFGSLineSearch: 2 17:07:28 -55.648887 0.042426 LBFGSLineSearch: 3 17:07:28 -55.649056 0.013709 LBFGSLineSearch: 4 17:07:28 -55.649080 0.007826 LBFGSLineSearch: 5 17:07:28 -55.649089 0.007454 LBFGSLineSearch: 6 17:07:28 -55.649098 0.006612 LBFGSLineSearch: 7 17:07:29 -55.649105 0.006534 LBFGSLineSearch: 8 17:07:29 -55.649108 0.003733 LBFGSLineSearch: 9 17:07:29 -55.649109 0.002758 LBFGSLineSearch: 10 17:07:29 -55.649109 0.002920 LBFGSLineSearch: 11 17:07:29 -55.649110 0.002887 LBFGSLineSearch: 12 17:07:30 -55.649111 0.001603 LBFGSLineSearch: 13 17:07:30 -55.649111 0.001243 LBFGSLineSearch: 14 17:07:30 -55.649112 0.000737 LBFGSLineSearch: 15 17:07:30 -55.649112 0.000343 LBFGSLineSearch: 16 17:07:31 -55.649112 0.000182 LBFGSLineSearch: 17 17:07:31 -55.649112 0.000186 LBFGSLineSearch: 18 17:07:32 -55.649112 0.000150 LBFGSLineSearch: 19 17:07:32 -55.649112 0.000115 LBFGSLineSearch: 20 17:07:32 -55.649112 0.000072 LBFGSLineSearch: 21 17:07:32 -55.649112 0.000085 LBFGSLineSearch: 22 17:07:33 -55.649112 0.000041 LBFGSLineSearch: 23 17:07:33 -55.649112 0.000037 LBFGSLineSearch: 24 17:07:33 -55.649112 0.000007 Minimization converged after 24 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:38 -53.163354 0.248581 LBFGSLineSearch: 1 17:07:38 -53.172275 0.087477 LBFGSLineSearch: 2 17:07:39 -53.173741 0.045766 LBFGSLineSearch: 3 17:07:39 -53.173933 0.014729 LBFGSLineSearch: 4 17:07:39 -53.173960 0.008446 LBFGSLineSearch: 5 17:07:40 -53.173971 0.008169 LBFGSLineSearch: 6 17:07:40 -53.173982 0.007231 LBFGSLineSearch: 7 17:07:40 -53.173990 0.006848 LBFGSLineSearch: 8 17:07:40 -53.173993 0.003719 LBFGSLineSearch: 9 17:07:41 -53.173994 0.003080 LBFGSLineSearch: 10 17:07:41 -53.173995 0.003407 LBFGSLineSearch: 11 17:07:41 -53.173996 0.002112 LBFGSLineSearch: 12 17:07:41 -53.173997 0.001817 LBFGSLineSearch: 13 17:07:42 -53.173998 0.000953 LBFGSLineSearch: 14 17:07:42 -53.173998 0.000465 LBFGSLineSearch: 15 17:07:42 -53.173998 0.000275 LBFGSLineSearch: 16 17:07:42 -53.173998 0.000158 LBFGSLineSearch: 17 17:07:43 -53.173998 0.000191 LBFGSLineSearch: 18 17:07:43 -53.173998 0.000162 LBFGSLineSearch: 19 17:07:43 -53.173998 0.000087 LBFGSLineSearch: 20 17:07:43 -53.173998 0.000081 LBFGSLineSearch: 21 17:07:44 -53.173998 0.000042 LBFGSLineSearch: 22 17:07:44 -53.173998 0.000047 LBFGSLineSearch: 23 17:07:44 -53.173998 0.000008 Minimization converged after 23 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:49 -50.407554 0.276651 LBFGSLineSearch: 1 17:07:49 -50.418471 0.092816 LBFGSLineSearch: 2 17:07:49 -50.420098 0.049211 LBFGSLineSearch: 3 17:07:50 -50.420314 0.015756 LBFGSLineSearch: 4 17:07:50 -50.420345 0.009072 LBFGSLineSearch: 5 17:07:50 -50.420358 0.008896 LBFGSLineSearch: 6 17:07:50 -50.420370 0.007842 LBFGSLineSearch: 7 17:07:50 -50.420379 0.007077 LBFGSLineSearch: 8 17:07:51 -50.420383 0.003640 LBFGSLineSearch: 9 17:07:51 -50.420384 0.003345 LBFGSLineSearch: 10 17:07:51 -50.420385 0.003700 LBFGSLineSearch: 11 17:07:52 -50.420386 0.002239 LBFGSLineSearch: 12 17:07:52 -50.420388 0.001945 LBFGSLineSearch: 13 17:07:52 -50.420388 0.000953 LBFGSLineSearch: 14 17:07:53 -50.420388 0.000499 LBFGSLineSearch: 15 17:07:53 -50.420388 0.000343 LBFGSLineSearch: 16 17:07:53 -50.420389 0.000197 LBFGSLineSearch: 17 17:07:53 -50.420389 0.000248 LBFGSLineSearch: 18 17:07:54 -50.420389 0.000189 LBFGSLineSearch: 19 17:07:54 -50.420389 0.000182 LBFGSLineSearch: 20 17:07:54 -50.420389 0.000153 LBFGSLineSearch: 21 17:07:54 -50.420389 0.000102 LBFGSLineSearch: 22 17:07:55 -50.420389 0.000079 LBFGSLineSearch: 23 17:07:55 -50.420389 0.000072 LBFGSLineSearch: 24 17:07:55 -50.420389 0.000044 LBFGSLineSearch: 25 17:07:55 -50.420389 0.000020 LBFGSLineSearch: 26 17:07:56 -50.420389 0.000008 Minimization converged after 26 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:00 -47.343754 0.307669 LBFGSLineSearch: 1 17:08:01 -47.357074 0.097678 LBFGSLineSearch: 2 17:08:01 -47.358853 0.052735 LBFGSLineSearch: 3 17:08:01 -47.359095 0.016802 LBFGSLineSearch: 4 17:08:01 -47.359130 0.009717 LBFGSLineSearch: 5 17:08:01 -47.359145 0.009647 LBFGSLineSearch: 6 17:08:02 -47.359160 0.008448 LBFGSLineSearch: 7 17:08:02 -47.359170 0.007221 LBFGSLineSearch: 8 17:08:02 -47.359174 0.003502 LBFGSLineSearch: 9 17:08:02 -47.359175 0.003606 LBFGSLineSearch: 10 17:08:02 -47.359176 0.003988 LBFGSLineSearch: 11 17:08:02 -47.359178 0.002371 LBFGSLineSearch: 12 17:08:02 -47.359179 0.002039 LBFGSLineSearch: 13 17:08:03 -47.359180 0.001016 LBFGSLineSearch: 14 17:08:03 -47.359180 0.000532 LBFGSLineSearch: 15 17:08:03 -47.359180 0.000335 LBFGSLineSearch: 16 17:08:03 -47.359180 0.000249 LBFGSLineSearch: 17 17:08:04 -47.359180 0.000238 LBFGSLineSearch: 18 17:08:04 -47.359180 0.000204 LBFGSLineSearch: 19 17:08:04 -47.359180 0.000188 LBFGSLineSearch: 20 17:08:04 -47.359180 0.000164 LBFGSLineSearch: 21 17:08:05 -47.359180 0.000116 LBFGSLineSearch: 22 17:08:05 -47.359180 0.000092 LBFGSLineSearch: 23 17:08:05 -47.359180 0.000077 LBFGSLineSearch: 24 17:08:06 -47.359180 0.000057 LBFGSLineSearch: 25 17:08:06 -47.359180 0.000016 LBFGSLineSearch: 26 17:08:07 -47.359180 0.000010 LBFGSLineSearch: 27 17:08:07 -47.359180 0.000010 Minimization converged after 27 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:12 -43.940122 0.341914 LBFGSLineSearch: 1 17:08:13 -43.956326 0.101780 LBFGSLineSearch: 2 17:08:13 -43.958237 0.056312 LBFGSLineSearch: 3 17:08:13 -43.958504 0.017877 LBFGSLineSearch: 4 17:08:14 -43.958544 0.010610 LBFGSLineSearch: 5 17:08:14 -43.958562 0.010427 LBFGSLineSearch: 6 17:08:14 -43.958579 0.009043 LBFGSLineSearch: 7 17:08:14 -43.958590 0.007280 LBFGSLineSearch: 8 17:08:14 -43.958594 0.003310 LBFGSLineSearch: 9 17:08:14 -43.958595 0.003909 LBFGSLineSearch: 10 17:08:15 -43.958597 0.004317 LBFGSLineSearch: 11 17:08:15 -43.958599 0.002533 LBFGSLineSearch: 12 17:08:15 -43.958600 0.002104 LBFGSLineSearch: 13 17:08:15 -43.958601 0.001021 LBFGSLineSearch: 14 17:08:16 -43.958601 0.000559 LBFGSLineSearch: 15 17:08:16 -43.958601 0.000311 LBFGSLineSearch: 16 17:08:16 -43.958601 0.000275 LBFGSLineSearch: 17 17:08:16 -43.958601 0.000238 LBFGSLineSearch: 18 17:08:16 -43.958601 0.000292 LBFGSLineSearch: 19 17:08:16 -43.958601 0.000150 LBFGSLineSearch: 20 17:08:17 -43.958601 0.000137 LBFGSLineSearch: 21 17:08:17 -43.958601 0.000091 LBFGSLineSearch: 22 17:08:17 -43.958601 0.000057 LBFGSLineSearch: 23 17:08:17 -43.958601 0.000056 LBFGSLineSearch: 24 17:08:18 -43.958601 0.000021 LBFGSLineSearch: 25 17:08:18 -43.958601 0.000012 LBFGSLineSearch: 26 17:08:18 -43.958601 0.000012 LBFGSLineSearch: 27 17:08:18 -43.958601 0.000005 Minimization converged after 27 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:23 -40.161960 0.379665 LBFGSLineSearch: 1 17:08:24 -40.181608 0.104885 LBFGSLineSearch: 2 17:08:24 -40.183620 0.059934 LBFGSLineSearch: 3 17:08:25 -40.183911 0.018985 LBFGSLineSearch: 4 17:08:25 -40.183956 0.011580 LBFGSLineSearch: 5 17:08:25 -40.183977 0.011244 LBFGSLineSearch: 6 17:08:25 -40.183996 0.009614 LBFGSLineSearch: 7 17:08:26 -40.184009 0.007245 LBFGSLineSearch: 8 17:08:26 -40.184013 0.003205 LBFGSLineSearch: 9 17:08:26 -40.184014 0.004257 LBFGSLineSearch: 10 17:08:26 -40.184015 0.004692 LBFGSLineSearch: 11 17:08:26 -40.184018 0.002733 LBFGSLineSearch: 12 17:08:27 -40.184020 0.002182 LBFGSLineSearch: 13 17:08:27 -40.184020 0.000960 LBFGSLineSearch: 14 17:08:27 -40.184021 0.000580 LBFGSLineSearch: 15 17:08:27 -40.184021 0.000281 LBFGSLineSearch: 16 17:08:27 -40.184021 0.000278 LBFGSLineSearch: 17 17:08:27 -40.184021 0.000266 LBFGSLineSearch: 18 17:08:28 -40.184021 0.000315 LBFGSLineSearch: 19 17:08:28 -40.184021 0.000152 LBFGSLineSearch: 20 17:08:28 -40.184021 0.000161 LBFGSLineSearch: 21 17:08:28 -40.184021 0.000110 LBFGSLineSearch: 22 17:08:28 -40.184021 0.000079 LBFGSLineSearch: 23 17:08:29 -40.184021 0.000057 LBFGSLineSearch: 24 17:08:29 -40.184021 0.000017 LBFGSLineSearch: 25 17:08:29 -40.184021 0.000014 LBFGSLineSearch: 26 17:08:30 -40.184021 0.000013 LBFGSLineSearch: 27 17:08:30 -40.184021 0.000002 Minimization converged after 27 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:35 -35.971499 0.421252 LBFGSLineSearch: 1 17:08:36 -35.995236 0.106346 LBFGSLineSearch: 2 17:08:36 -35.997304 0.063526 LBFGSLineSearch: 3 17:08:36 -35.997619 0.020090 LBFGSLineSearch: 4 17:08:37 -35.997669 0.012555 LBFGSLineSearch: 5 17:08:37 -35.997694 0.012032 LBFGSLineSearch: 6 17:08:37 -35.997715 0.010121 LBFGSLineSearch: 7 17:08:38 -35.997729 0.007084 LBFGSLineSearch: 8 17:08:38 -35.997733 0.003477 LBFGSLineSearch: 9 17:08:38 -35.997735 0.004629 LBFGSLineSearch: 10 17:08:38 -35.997736 0.005089 LBFGSLineSearch: 11 17:08:38 -35.997739 0.002954 LBFGSLineSearch: 12 17:08:39 -35.997742 0.002317 LBFGSLineSearch: 13 17:08:39 -35.997742 0.000840 LBFGSLineSearch: 14 17:08:39 -35.997742 0.000574 LBFGSLineSearch: 15 17:08:39 -35.997742 0.000370 LBFGSLineSearch: 16 17:08:40 -35.997742 0.000379 LBFGSLineSearch: 17 17:08:40 -35.997742 0.000211 LBFGSLineSearch: 18 17:08:40 -35.997742 0.000160 LBFGSLineSearch: 19 17:08:40 -35.997742 0.000112 LBFGSLineSearch: 20 17:08:41 -35.997742 0.000094 LBFGSLineSearch: 21 17:08:41 -35.997742 0.000066 LBFGSLineSearch: 22 17:08:41 -35.997742 0.000025 LBFGSLineSearch: 23 17:08:41 -35.997742 0.000018 LBFGSLineSearch: 24 17:08:42 -35.997742 0.000001 Minimization converged after 24 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:47 -31.327681 0.467006 LBFGSLineSearch: 1 17:08:47 -31.356251 0.105811 LBFGSLineSearch: 2 17:08:47 -31.358322 0.067088 LBFGSLineSearch: 3 17:08:48 -31.358659 0.021170 LBFGSLineSearch: 4 17:08:48 -31.358713 0.013575 LBFGSLineSearch: 5 17:08:48 -31.358743 0.012801 LBFGSLineSearch: 6 17:08:48 -31.358766 0.010574 LBFGSLineSearch: 7 17:08:49 -31.358781 0.006809 LBFGSLineSearch: 8 17:08:49 -31.358786 0.003873 LBFGSLineSearch: 9 17:08:49 -31.358787 0.005017 LBFGSLineSearch: 10 17:08:50 -31.358789 0.005492 LBFGSLineSearch: 11 17:08:50 -31.358793 0.003190 LBFGSLineSearch: 12 17:08:50 -31.358795 0.002352 LBFGSLineSearch: 13 17:08:51 -31.358796 0.000743 LBFGSLineSearch: 14 17:08:51 -31.358796 0.000543 LBFGSLineSearch: 15 17:08:52 -31.358796 0.000382 LBFGSLineSearch: 16 17:08:52 -31.358796 0.000392 LBFGSLineSearch: 17 17:08:52 -31.358796 0.000264 LBFGSLineSearch: 18 17:08:53 -31.358796 0.000167 LBFGSLineSearch: 19 17:08:53 -31.358796 0.000107 LBFGSLineSearch: 20 17:08:53 -31.358796 0.000126 LBFGSLineSearch: 21 17:08:54 -31.358796 0.000052 LBFGSLineSearch: 22 17:08:55 -31.358796 0.000031 LBFGSLineSearch: 23 17:08:56 -31.358796 0.000019 LBFGSLineSearch: 24 17:08:57 -31.358796 0.000019 LBFGSLineSearch: 25 17:08:58 -31.358796 0.000006 Minimization converged after 25 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:03 -26.185955 0.517284 LBFGSLineSearch: 1 17:09:04 -26.220202 0.102651 LBFGSLineSearch: 2 17:09:04 -26.222214 0.070585 LBFGSLineSearch: 3 17:09:04 -26.222501 0.043493 LBFGSLineSearch: 4 17:09:05 -26.222629 0.014650 LBFGSLineSearch: 5 17:09:05 -26.222670 0.018468 LBFGSLineSearch: 6 17:09:05 -26.222707 0.005475 LBFGSLineSearch: 7 17:09:05 -26.222711 0.006290 LBFGSLineSearch: 8 17:09:05 -26.222714 0.004871 LBFGSLineSearch: 9 17:09:05 -26.222718 0.004094 LBFGSLineSearch: 10 17:09:06 -26.222721 0.003378 LBFGSLineSearch: 11 17:09:06 -26.222722 0.001367 LBFGSLineSearch: 12 17:09:06 -26.222722 0.000584 LBFGSLineSearch: 13 17:09:06 -26.222722 0.000476 LBFGSLineSearch: 14 17:09:07 -26.222722 0.000378 LBFGSLineSearch: 15 17:09:07 -26.222722 0.000542 LBFGSLineSearch: 16 17:09:07 -26.222722 0.000255 LBFGSLineSearch: 17 17:09:07 -26.222722 0.000124 LBFGSLineSearch: 18 17:09:08 -26.222722 0.000137 LBFGSLineSearch: 19 17:09:08 -26.222722 0.000045 LBFGSLineSearch: 20 17:09:09 -26.222722 0.000023 LBFGSLineSearch: 21 17:09:09 -26.222722 0.000021 LBFGSLineSearch: 22 17:09:10 -26.222722 0.000005 Minimization converged after 22 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:14 -20.498042 0.572469 LBFGSLineSearch: 1 17:09:15 -20.538912 0.096174 LBFGSLineSearch: 2 17:09:15 -20.540800 0.073978 LBFGSLineSearch: 3 17:09:16 -20.541118 0.042792 LBFGSLineSearch: 4 17:09:16 -20.541237 0.015822 LBFGSLineSearch: 5 17:09:17 -20.541283 0.019745 LBFGSLineSearch: 6 17:09:17 -20.541323 0.004824 LBFGSLineSearch: 7 17:09:17 -20.541327 0.006680 LBFGSLineSearch: 8 17:09:17 -20.541331 0.005433 LBFGSLineSearch: 9 17:09:19 -20.541336 0.004440 LBFGSLineSearch: 10 17:09:19 -20.541340 0.003093 LBFGSLineSearch: 11 17:09:20 -20.541340 0.001318 LBFGSLineSearch: 12 17:09:20 -20.541341 0.000826 LBFGSLineSearch: 13 17:09:20 -20.541341 0.000494 LBFGSLineSearch: 14 17:09:21 -20.541341 0.000516 LBFGSLineSearch: 15 17:09:21 -20.541341 0.000504 LBFGSLineSearch: 16 17:09:21 -20.541341 0.000333 LBFGSLineSearch: 17 17:09:21 -20.541341 0.000263 LBFGSLineSearch: 18 17:09:22 -20.541341 0.000099 LBFGSLineSearch: 19 17:09:22 -20.541341 0.000103 LBFGSLineSearch: 20 17:09:22 -20.541341 0.000059 LBFGSLineSearch: 21 17:09:22 -20.541341 0.000022 LBFGSLineSearch: 22 17:09:23 -20.541341 0.000019 LBFGSLineSearch: 23 17:09:23 -20.541341 0.000018 LBFGSLineSearch: 24 17:09:23 -20.541341 0.000000 Minimization converged after 24 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:28 -14.211690 0.632965 LBFGSLineSearch: 1 17:09:28 -14.260230 0.106817 LBFGSLineSearch: 2 17:09:28 -14.261939 0.077215 LBFGSLineSearch: 3 17:09:29 -14.262291 0.040383 LBFGSLineSearch: 4 17:09:29 -14.262394 0.017190 LBFGSLineSearch: 5 17:09:30 -14.262445 0.020757 LBFGSLineSearch: 6 17:09:30 -14.262489 0.005083 LBFGSLineSearch: 7 17:09:30 -14.262493 0.007036 LBFGSLineSearch: 8 17:09:31 -14.262498 0.006136 LBFGSLineSearch: 9 17:09:31 -14.262504 0.004806 LBFGSLineSearch: 10 17:09:31 -14.262508 0.002359 LBFGSLineSearch: 11 17:09:32 -14.262509 0.001052 LBFGSLineSearch: 12 17:09:32 -14.262509 0.000576 LBFGSLineSearch: 13 17:09:32 -14.262509 0.000623 LBFGSLineSearch: 14 17:09:32 -14.262509 0.000607 LBFGSLineSearch: 15 17:09:33 -14.262509 0.000414 LBFGSLineSearch: 16 17:09:33 -14.262509 0.000177 LBFGSLineSearch: 17 17:09:33 -14.262509 0.000077 LBFGSLineSearch: 18 17:09:33 -14.262509 0.000064 LBFGSLineSearch: 19 17:09:34 -14.262509 0.000023 LBFGSLineSearch: 20 17:09:34 -14.262509 0.000020 LBFGSLineSearch: 21 17:09:35 -14.262509 0.000018 LBFGSLineSearch: 22 17:09:35 -14.262509 0.000000 Minimization converged after 22 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:39 -7.270427 0.699208 LBFGSLineSearch: 1 17:09:40 -7.327774 0.118657 LBFGSLineSearch: 2 17:09:40 -7.329277 0.080222 LBFGSLineSearch: 3 17:09:40 -7.329667 0.035185 LBFGSLineSearch: 4 17:09:41 -7.329746 0.018904 LBFGSLineSearch: 5 17:09:41 -7.329794 0.019789 LBFGSLineSearch: 6 17:09:41 -7.329834 0.012491 LBFGSLineSearch: 7 17:09:41 -7.329849 0.006218 LBFGSLineSearch: 8 17:09:42 -7.329853 0.005874 LBFGSLineSearch: 9 17:09:42 -7.329857 0.007339 LBFGSLineSearch: 10 17:09:42 -7.329865 0.004475 LBFGSLineSearch: 11 17:09:42 -7.329870 0.005259 LBFGSLineSearch: 12 17:09:43 -7.329873 0.001834 LBFGSLineSearch: 13 17:09:43 -7.329873 0.000717 LBFGSLineSearch: 14 17:09:43 -7.329873 0.000649 LBFGSLineSearch: 15 17:09:44 -7.329873 0.000585 LBFGSLineSearch: 16 17:09:44 -7.329873 0.000476 LBFGSLineSearch: 17 17:09:45 -7.329873 0.000077 LBFGSLineSearch: 18 17:09:45 -7.329873 0.000041 LBFGSLineSearch: 19 17:09:46 -7.329873 0.000031 LBFGSLineSearch: 20 17:09:46 -7.329873 0.000023 LBFGSLineSearch: 21 17:09:47 -7.329873 0.000015 LBFGSLineSearch: 22 17:09:47 -7.329873 0.000012 LBFGSLineSearch: 23 17:09:47 -7.329873 0.000011 LBFGSLineSearch: 24 17:09:48 -7.329873 0.000000 Minimization converged after 24 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:52 0.386699 0.771657 LBFGSLineSearch: 1 17:09:53 0.319338 0.131842 LBFGSLineSearch: 2 17:09:53 0.318011 0.082974 LBFGSLineSearch: 3 17:09:53 0.317586 0.027046 LBFGSLineSearch: 4 17:09:54 0.317499 0.028076 LBFGSLineSearch: 5 17:09:54 0.317427 0.007794 LBFGSLineSearch: 6 17:09:54 0.317418 0.008256 LBFGSLineSearch: 7 17:09:55 0.317411 0.008259 LBFGSLineSearch: 8 17:09:55 0.317401 0.006204 LBFGSLineSearch: 9 17:09:55 0.317393 0.003549 LBFGSLineSearch: 10 17:09:55 0.317392 0.001284 LBFGSLineSearch: 11 17:09:55 0.317392 0.000823 LBFGSLineSearch: 12 17:09:55 0.317392 0.000854 LBFGSLineSearch: 13 17:09:56 0.317392 0.000779 LBFGSLineSearch: 14 17:09:56 0.317392 0.000570 LBFGSLineSearch: 15 17:09:56 0.317392 0.000262 LBFGSLineSearch: 16 17:09:56 0.317392 0.000266 LBFGSLineSearch: 17 17:09:56 0.317392 0.000082 LBFGSLineSearch: 18 17:09:56 0.317392 0.000039 LBFGSLineSearch: 19 17:09:57 0.317392 0.000018 LBFGSLineSearch: 20 17:09:57 0.317392 0.000008 Minimization converged after 20 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:01 8.825402 0.850806 LBFGSLineSearch: 1 17:10:01 8.746783 0.146558 LBFGSLineSearch: 2 17:10:02 8.745500 0.085372 LBFGSLineSearch: 3 17:10:02 8.745061 0.022361 LBFGSLineSearch: 4 17:10:02 8.744951 0.023361 LBFGSLineSearch: 5 17:10:03 8.744910 0.012486 LBFGSLineSearch: 6 17:10:03 8.744896 0.007417 LBFGSLineSearch: 7 17:10:04 8.744890 0.008632 LBFGSLineSearch: 8 17:10:04 8.744879 0.007603 LBFGSLineSearch: 9 17:10:04 8.744864 0.005748 LBFGSLineSearch: 10 17:10:05 8.744862 0.001763 LBFGSLineSearch: 11 17:10:05 8.744861 0.001008 LBFGSLineSearch: 12 17:10:06 8.744861 0.000850 LBFGSLineSearch: 13 17:10:06 8.744861 0.000652 LBFGSLineSearch: 14 17:10:06 8.744861 0.000429 LBFGSLineSearch: 15 17:10:07 8.744861 0.000692 LBFGSLineSearch: 16 17:10:07 8.744861 0.000307 LBFGSLineSearch: 17 17:10:07 8.744861 0.000186 LBFGSLineSearch: 18 17:10:07 8.744861 0.000041 LBFGSLineSearch: 19 17:10:08 8.744861 0.000004 Minimization converged after 19 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:13 18.116436 0.937161 LBFGSLineSearch: 1 17:10:13 18.025213 0.158883 LBFGSLineSearch: 2 17:10:13 18.023790 0.087346 LBFGSLineSearch: 3 17:10:14 18.023359 0.024061 LBFGSLineSearch: 4 17:10:14 18.023238 0.023965 LBFGSLineSearch: 5 17:10:15 18.023194 0.011136 LBFGSLineSearch: 6 17:10:15 18.023179 0.008496 LBFGSLineSearch: 7 17:10:15 18.023171 0.009886 LBFGSLineSearch: 8 17:10:15 18.023155 0.009118 LBFGSLineSearch: 9 17:10:16 18.023138 0.004847 LBFGSLineSearch: 10 17:10:16 18.023136 0.001657 LBFGSLineSearch: 11 17:10:16 18.023135 0.001097 LBFGSLineSearch: 12 17:10:16 18.023135 0.000857 LBFGSLineSearch: 13 17:10:16 18.023135 0.000573 LBFGSLineSearch: 14 17:10:16 18.023135 0.000654 LBFGSLineSearch: 15 17:10:17 18.023135 0.000477 LBFGSLineSearch: 16 17:10:17 18.023135 0.000268 LBFGSLineSearch: 17 17:10:17 18.023135 0.000128 LBFGSLineSearch: 18 17:10:17 18.023135 0.000036 LBFGSLineSearch: 19 17:10:17 18.023135 0.000022 LBFGSLineSearch: 20 17:10:18 18.023135 0.000019 LBFGSLineSearch: 21 17:10:18 18.023135 0.000000 Minimization converged after 21 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:22 28.335880 1.031275 LBFGSLineSearch: 1 17:10:22 28.230371 0.168685 LBFGSLineSearch: 2 17:10:23 28.228802 0.088777 LBFGSLineSearch: 3 17:10:23 28.228384 0.025656 LBFGSLineSearch: 4 17:10:23 28.228255 0.025742 LBFGSLineSearch: 5 17:10:23 28.228206 0.010928 LBFGSLineSearch: 6 17:10:24 28.228189 0.009751 LBFGSLineSearch: 7 17:10:24 28.228179 0.010939 LBFGSLineSearch: 8 17:10:24 28.228157 0.010497 LBFGSLineSearch: 9 17:10:24 28.228137 0.004367 LBFGSLineSearch: 10 17:10:25 28.228136 0.002811 LBFGSLineSearch: 11 17:10:25 28.228135 0.001353 LBFGSLineSearch: 12 17:10:25 28.228135 0.001279 LBFGSLineSearch: 13 17:10:25 28.228134 0.000727 LBFGSLineSearch: 14 17:10:25 28.228134 0.000607 LBFGSLineSearch: 15 17:10:26 28.228134 0.000299 LBFGSLineSearch: 16 17:10:26 28.228134 0.000186 LBFGSLineSearch: 17 17:10:26 28.228134 0.000039 LBFGSLineSearch: 18 17:10:26 28.228134 0.000042 LBFGSLineSearch: 19 17:10:27 28.228134 0.000035 LBFGSLineSearch: 20 17:10:27 28.228134 0.000021 LBFGSLineSearch: 21 17:10:27 28.228134 0.000000 Minimization converged after 21 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:32 39.565458 1.133732 LBFGSLineSearch: 1 17:10:32 39.443811 0.179000 LBFGSLineSearch: 2 17:10:32 39.442088 0.089432 LBFGSLineSearch: 3 17:10:32 39.441690 0.027141 LBFGSLineSearch: 4 17:10:33 39.441553 0.028756 LBFGSLineSearch: 5 17:10:33 39.441499 0.012807 LBFGSLineSearch: 6 17:10:33 39.441480 0.011193 LBFGSLineSearch: 7 17:10:33 39.441467 0.011818 LBFGSLineSearch: 8 17:10:33 39.441436 0.011413 LBFGSLineSearch: 9 17:10:34 39.441414 0.006314 LBFGSLineSearch: 10 17:10:34 39.441412 0.002944 LBFGSLineSearch: 11 17:10:34 39.441411 0.001996 LBFGSLineSearch: 12 17:10:34 39.441411 0.001602 LBFGSLineSearch: 13 17:10:34 39.441411 0.001531 LBFGSLineSearch: 14 17:10:35 39.441410 0.000809 LBFGSLineSearch: 15 17:10:35 39.441410 0.000627 LBFGSLineSearch: 16 17:10:35 39.441410 0.000685 LBFGSLineSearch: 17 17:10:35 39.441410 0.000464 LBFGSLineSearch: 18 17:10:35 39.441410 0.000350 LBFGSLineSearch: 19 17:10:36 39.441410 0.000120 LBFGSLineSearch: 20 17:10:36 39.441410 0.000051 LBFGSLineSearch: 21 17:10:36 39.441410 0.000046 LBFGSLineSearch: 22 17:10:36 39.441410 0.000036 LBFGSLineSearch: 23 17:10:37 39.441410 0.000004 Minimization converged after 23 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:41 51.892858 1.245145 LBFGSLineSearch: 1 17:10:42 51.753032 0.189883 LBFGSLineSearch: 2 17:10:42 51.751146 0.089080 LBFGSLineSearch: 3 17:10:42 51.750774 0.028355 LBFGSLineSearch: 4 17:10:42 51.750632 0.031967 LBFGSLineSearch: 5 17:10:43 51.750572 0.015110 LBFGSLineSearch: 6 17:10:43 51.750551 0.012777 LBFGSLineSearch: 7 17:10:43 51.750534 0.012718 LBFGSLineSearch: 8 17:10:44 51.750493 0.012489 LBFGSLineSearch: 9 17:10:44 51.750468 0.007946 LBFGSLineSearch: 10 17:10:44 51.750465 0.002885 LBFGSLineSearch: 11 17:10:45 51.750464 0.002389 LBFGSLineSearch: 12 17:10:45 51.750464 0.001546 LBFGSLineSearch: 13 17:10:45 51.750463 0.001072 LBFGSLineSearch: 14 17:10:45 51.750463 0.000749 LBFGSLineSearch: 15 17:10:46 51.750463 0.000852 LBFGSLineSearch: 16 17:10:46 51.750463 0.000089 LBFGSLineSearch: 17 17:10:46 51.750463 0.000076 LBFGSLineSearch: 18 17:10:46 51.750463 0.000064 LBFGSLineSearch: 19 17:10:46 51.750463 0.000015 LBFGSLineSearch: 20 17:10:47 51.750463 0.000000 Minimization converged after 20 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:52 65.412057 1.366159 LBFGSLineSearch: 1 17:10:53 65.251811 0.201625 LBFGSLineSearch: 2 17:10:53 65.249755 0.087477 LBFGSLineSearch: 3 17:10:53 65.249415 0.029109 LBFGSLineSearch: 4 17:10:54 65.249266 0.034214 LBFGSLineSearch: 5 17:10:54 65.249203 0.017498 LBFGSLineSearch: 6 17:10:55 65.249179 0.014505 LBFGSLineSearch: 7 17:10:55 65.249157 0.014869 LBFGSLineSearch: 8 17:10:55 65.249106 0.015925 LBFGSLineSearch: 9 17:10:55 65.249077 0.008353 LBFGSLineSearch: 10 17:10:56 65.249073 0.003178 LBFGSLineSearch: 11 17:10:56 65.249072 0.003063 LBFGSLineSearch: 12 17:10:56 65.249071 0.001738 LBFGSLineSearch: 13 17:10:56 65.249070 0.001195 LBFGSLineSearch: 14 17:10:56 65.249070 0.000848 LBFGSLineSearch: 15 17:10:57 65.249070 0.000482 LBFGSLineSearch: 16 17:10:57 65.249070 0.000090 LBFGSLineSearch: 17 17:10:57 65.249070 0.000104 LBFGSLineSearch: 18 17:10:57 65.249070 0.000072 LBFGSLineSearch: 19 17:10:58 65.249070 0.000009 Minimization converged after 19 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:02 80.223666 1.497461 LBFGSLineSearch: 1 17:11:03 80.040543 0.215517 LBFGSLineSearch: 2 17:11:03 80.038309 0.084431 LBFGSLineSearch: 3 17:11:04 80.038003 0.029234 LBFGSLineSearch: 4 17:11:04 80.037846 0.035597 LBFGSLineSearch: 5 17:11:04 80.037785 0.019248 LBFGSLineSearch: 6 17:11:04 80.037758 0.016604 LBFGSLineSearch: 7 17:11:04 80.037730 0.017316 LBFGSLineSearch: 8 17:11:05 80.037669 0.020311 LBFGSLineSearch: 9 17:11:05 80.037633 0.008805 LBFGSLineSearch: 10 17:11:05 80.037629 0.003459 LBFGSLineSearch: 11 17:11:06 80.037627 0.002689 LBFGSLineSearch: 12 17:11:06 80.037626 0.002383 LBFGSLineSearch: 13 17:11:06 80.037625 0.001944 LBFGSLineSearch: 14 17:11:07 80.037625 0.001536 LBFGSLineSearch: 15 17:11:07 80.037625 0.001295 LBFGSLineSearch: 16 17:11:07 80.037625 0.001105 LBFGSLineSearch: 17 17:11:08 80.037624 0.000883 LBFGSLineSearch: 18 17:11:08 80.037624 0.000856 LBFGSLineSearch: 19 17:11:08 80.037624 0.000900 LBFGSLineSearch: 20 17:11:08 80.037624 0.000505 LBFGSLineSearch: 21 17:11:08 80.037624 0.000115 LBFGSLineSearch: 22 17:11:09 80.037624 0.000084 LBFGSLineSearch: 23 17:11:09 80.037624 0.000102 LBFGSLineSearch: 24 17:11:09 80.037624 0.000043 LBFGSLineSearch: 25 17:11:10 80.037624 0.000006 Minimization converged after 25 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:14 96.435272 1.639766 LBFGSLineSearch: 1 17:11:15 96.226584 0.230788 LBFGSLineSearch: 2 17:11:15 96.224165 0.079960 LBFGSLineSearch: 3 17:11:15 96.223892 0.028828 LBFGSLineSearch: 4 17:11:15 96.223725 0.037028 LBFGSLineSearch: 5 17:11:16 96.223668 0.018455 LBFGSLineSearch: 6 17:11:16 96.223639 0.019212 LBFGSLineSearch: 7 17:11:16 96.223616 0.018307 LBFGSLineSearch: 8 17:11:16 96.223540 0.023603 LBFGSLineSearch: 9 17:11:17 96.223495 0.013241 LBFGSLineSearch: 10 17:11:17 96.223485 0.004920 LBFGSLineSearch: 11 17:11:17 96.223482 0.003325 LBFGSLineSearch: 12 17:11:17 96.223481 0.002659 LBFGSLineSearch: 13 17:11:18 96.223480 0.001752 LBFGSLineSearch: 14 17:11:18 96.223479 0.001431 LBFGSLineSearch: 15 17:11:18 96.223479 0.001274 LBFGSLineSearch: 16 17:11:18 96.223479 0.000713 LBFGSLineSearch: 17 17:11:18 96.223478 0.000098 LBFGSLineSearch: 18 17:11:19 96.223478 0.000090 LBFGSLineSearch: 19 17:11:19 96.223478 0.000204 LBFGSLineSearch: 20 17:11:19 96.223478 0.000034 LBFGSLineSearch: 21 17:11:19 96.223478 0.000000 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:24 114.161788 1.793831 LBFGSLineSearch: 1 17:11:24 113.924598 0.247655 LBFGSLineSearch: 2 17:11:24 113.921989 0.074676 LBFGSLineSearch: 3 17:11:25 113.921743 0.030864 LBFGSLineSearch: 4 17:11:25 113.921600 0.034010 LBFGSLineSearch: 5 17:11:25 113.921516 0.018341 LBFGSLineSearch: 6 17:11:26 113.921492 0.016751 LBFGSLineSearch: 7 17:11:26 113.921468 0.020568 LBFGSLineSearch: 8 17:11:26 113.921418 0.028262 LBFGSLineSearch: 9 17:11:27 113.921323 0.022639 LBFGSLineSearch: 10 17:11:27 113.921304 0.010350 LBFGSLineSearch: 11 17:11:28 113.921296 0.003726 LBFGSLineSearch: 12 17:11:28 113.921295 0.002858 LBFGSLineSearch: 13 17:11:28 113.921293 0.002046 LBFGSLineSearch: 14 17:11:28 113.921292 0.001682 LBFGSLineSearch: 15 17:11:29 113.921292 0.001565 LBFGSLineSearch: 16 17:11:29 113.921292 0.000858 LBFGSLineSearch: 17 17:11:30 113.921292 0.000176 LBFGSLineSearch: 18 17:11:30 113.921292 0.000066 LBFGSLineSearch: 19 17:11:30 113.921292 0.000062 LBFGSLineSearch: 20 17:11:30 113.921292 0.000076 LBFGSLineSearch: 21 17:11:31 113.921292 0.000008 Minimization converged after 21 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:36 133.525803 1.960453 LBFGSLineSearch: 1 17:11:36 133.256907 0.266287 LBFGSLineSearch: 2 17:11:36 133.254105 0.070514 LBFGSLineSearch: 3 17:11:36 133.253877 0.034955 LBFGSLineSearch: 4 17:11:37 133.253720 0.033398 LBFGSLineSearch: 5 17:11:37 133.253649 0.024542 LBFGSLineSearch: 6 17:11:38 133.253621 0.019074 LBFGSLineSearch: 7 17:11:38 133.253573 0.023717 LBFGSLineSearch: 8 17:11:39 133.253459 0.029326 LBFGSLineSearch: 9 17:11:39 133.253393 0.011057 LBFGSLineSearch: 10 17:11:39 133.253384 0.006617 LBFGSLineSearch: 11 17:11:39 133.253381 0.003190 LBFGSLineSearch: 12 17:11:39 133.253379 0.002414 LBFGSLineSearch: 13 17:11:40 133.253378 0.002439 LBFGSLineSearch: 14 17:11:40 133.253377 0.001642 LBFGSLineSearch: 15 17:11:40 133.253377 0.002046 LBFGSLineSearch: 16 17:11:40 133.253377 0.001073 LBFGSLineSearch: 17 17:11:41 133.253377 0.000132 LBFGSLineSearch: 18 17:11:41 133.253377 0.000015 LBFGSLineSearch: 19 17:11:41 133.253377 0.000015 LBFGSLineSearch: 20 17:11:41 133.253377 0.000014 LBFGSLineSearch: 21 17:11:42 133.253377 0.000000 Minimization converged after 21 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:47 154.657926 2.140455 LBFGSLineSearch: 1 17:11:48 154.353835 0.286877 LBFGSLineSearch: 2 17:11:48 154.350841 0.074504 LBFGSLineSearch: 3 17:11:48 154.350614 0.044257 LBFGSLineSearch: 4 17:11:48 154.350450 0.038281 LBFGSLineSearch: 5 17:11:48 154.350380 0.031559 LBFGSLineSearch: 6 17:11:49 154.350335 0.025862 LBFGSLineSearch: 7 17:11:49 154.350261 0.027072 LBFGSLineSearch: 8 17:11:49 154.350103 0.020847 LBFGSLineSearch: 9 17:11:49 154.350066 0.011904 LBFGSLineSearch: 10 17:11:49 154.350052 0.005939 LBFGSLineSearch: 11 17:11:50 154.350049 0.003203 LBFGSLineSearch: 12 17:11:50 154.350047 0.002848 LBFGSLineSearch: 13 17:11:50 154.350046 0.003113 LBFGSLineSearch: 14 17:11:50 154.350045 0.002126 LBFGSLineSearch: 15 17:11:50 154.350044 0.001550 LBFGSLineSearch: 16 17:11:51 154.350044 0.000840 LBFGSLineSearch: 17 17:11:51 154.350044 0.000209 LBFGSLineSearch: 18 17:11:51 154.350044 0.000196 LBFGSLineSearch: 19 17:11:52 154.350044 0.000142 LBFGSLineSearch: 20 17:11:52 154.350044 0.000012 LBFGSLineSearch: 21 17:11:52 154.350044 0.000000 Minimization converged after 21 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:57 177.697126 2.334708 LBFGSLineSearch: 1 17:11:57 177.354044 0.309639 LBFGSLineSearch: 2 17:11:57 177.350867 0.088103 LBFGSLineSearch: 3 17:11:58 177.350616 0.061764 LBFGSLineSearch: 4 17:11:58 177.350445 0.045871 LBFGSLineSearch: 5 17:11:58 177.350362 0.037990 LBFGSLineSearch: 6 17:11:58 177.350303 0.023424 LBFGSLineSearch: 7 17:11:58 177.350210 0.031837 LBFGSLineSearch: 8 17:11:59 177.350015 0.030259 LBFGSLineSearch: 9 17:11:59 177.349965 0.016310 LBFGSLineSearch: 10 17:11:59 177.349947 0.007595 LBFGSLineSearch: 11 17:11:59 177.349942 0.004111 LBFGSLineSearch: 12 17:12:00 177.349940 0.004426 LBFGSLineSearch: 13 17:12:00 177.349937 0.003103 LBFGSLineSearch: 14 17:12:00 177.349936 0.002531 LBFGSLineSearch: 15 17:12:00 177.349935 0.000644 LBFGSLineSearch: 16 17:12:01 177.349935 0.000560 LBFGSLineSearch: 17 17:12:01 177.349935 0.000768 LBFGSLineSearch: 18 17:12:01 177.349935 0.000011 LBFGSLineSearch: 19 17:12:01 177.349935 0.000000 Minimization converged after 19 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:07 202.791045 2.544111 LBFGSLineSearch: 1 17:12:07 202.404850 0.334842 LBFGSLineSearch: 2 17:12:07 202.401510 0.112038 LBFGSLineSearch: 3 17:12:08 202.401203 0.089397 LBFGSLineSearch: 4 17:12:08 202.401001 0.060431 LBFGSLineSearch: 5 17:12:08 202.400913 0.041650 LBFGSLineSearch: 6 17:12:09 202.400826 0.024145 LBFGSLineSearch: 7 17:12:09 202.400710 0.039652 LBFGSLineSearch: 8 17:12:09 202.400488 0.044050 LBFGSLineSearch: 9 17:12:09 202.400396 0.024321 LBFGSLineSearch: 10 17:12:10 202.400356 0.011345 LBFGSLineSearch: 11 17:12:10 202.400349 0.006248 LBFGSLineSearch: 12 17:12:10 202.400345 0.004967 LBFGSLineSearch: 13 17:12:10 202.400341 0.006420 LBFGSLineSearch: 14 17:12:10 202.400337 0.003457 LBFGSLineSearch: 15 17:12:11 202.400334 0.001612 LBFGSLineSearch: 16 17:12:11 202.400333 0.001147 LBFGSLineSearch: 17 17:12:11 202.400333 0.001097 LBFGSLineSearch: 18 17:12:11 202.400333 0.000504 LBFGSLineSearch: 19 17:12:11 202.400333 0.000062 LBFGSLineSearch: 20 17:12:12 202.400333 0.000002 Minimization converged after 20 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:16 230.096280 2.769596 LBFGSLineSearch: 1 17:12:17 229.662499 0.362850 LBFGSLineSearch: 2 17:12:17 229.659034 0.156451 LBFGSLineSearch: 3 17:12:17 229.658625 0.128574 LBFGSLineSearch: 4 17:12:18 229.658361 0.086976 LBFGSLineSearch: 5 17:12:18 229.658259 0.054740 LBFGSLineSearch: 6 17:12:19 229.658162 0.033593 LBFGSLineSearch: 7 17:12:19 229.658055 0.047019 LBFGSLineSearch: 8 17:12:20 229.657802 0.035867 LBFGSLineSearch: 9 17:12:21 229.657565 0.040694 LBFGSLineSearch: 10 17:12:21 229.657487 0.019755 LBFGSLineSearch: 11 17:12:21 229.657463 0.009359 LBFGSLineSearch: 12 17:12:22 229.657454 0.006814 LBFGSLineSearch: 13 17:12:22 229.657445 0.009876 LBFGSLineSearch: 14 17:12:23 229.657436 0.004674 LBFGSLineSearch: 15 17:12:23 229.657432 0.005791 LBFGSLineSearch: 16 17:12:23 229.657429 0.002193 LBFGSLineSearch: 17 17:12:23 229.657429 0.001746 LBFGSLineSearch: 18 17:12:24 229.657428 0.001306 LBFGSLineSearch: 19 17:12:24 229.657428 0.000034 LBFGSLineSearch: 20 17:12:24 229.657428 0.000001 Minimization converged after 20 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:29 259.778571 3.012114 LBFGSLineSearch: 1 17:12:30 259.292356 0.394106 LBFGSLineSearch: 2 17:12:30 259.288836 0.218910 LBFGSLineSearch: 3 17:12:31 259.288066 0.084542 LBFGSLineSearch: 4 17:12:31 259.287805 0.079571 LBFGSLineSearch: 5 17:12:31 259.287713 0.061677 LBFGSLineSearch: 6 17:12:31 259.287531 0.033644 LBFGSLineSearch: 7 17:12:32 259.287255 0.048106 LBFGSLineSearch: 8 17:12:32 259.286810 0.075452 LBFGSLineSearch: 9 17:12:32 259.286622 0.036206 LBFGSLineSearch: 10 17:12:33 259.286547 0.013579 LBFGSLineSearch: 11 17:12:33 259.286531 0.011695 LBFGSLineSearch: 12 17:12:33 259.286519 0.010294 LBFGSLineSearch: 13 17:12:33 259.286503 0.014135 LBFGSLineSearch: 14 17:12:34 259.286478 0.007141 LBFGSLineSearch: 15 17:12:34 259.286467 0.003467 LBFGSLineSearch: 16 17:12:34 259.286465 0.003575 LBFGSLineSearch: 17 17:12:34 259.286464 0.003469 LBFGSLineSearch: 18 17:12:35 259.286461 0.001206 LBFGSLineSearch: 19 17:12:35 259.286461 0.000105 LBFGSLineSearch: 20 17:12:35 259.286461 0.000009 Minimization converged after 20 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:40 292.012745 3.272631 LBFGSLineSearch: 1 17:12:40 291.468847 0.429270 LBFGSLineSearch: 2 17:12:40 291.465383 0.301580 LBFGSLineSearch: 3 17:12:40 291.464163 0.113559 LBFGSLineSearch: 4 17:12:41 291.463785 0.099562 LBFGSLineSearch: 5 17:12:41 291.463664 0.056538 LBFGSLineSearch: 6 17:12:41 291.463345 0.046995 LBFGSLineSearch: 7 17:12:42 291.462733 0.057035 LBFGSLineSearch: 8 17:12:42 291.462113 0.083099 LBFGSLineSearch: 9 17:12:42 291.461838 0.041369 LBFGSLineSearch: 10 17:12:42 291.461722 0.023776 LBFGSLineSearch: 11 17:12:42 291.461693 0.017413 LBFGSLineSearch: 12 17:12:43 291.461653 0.022976 LBFGSLineSearch: 13 17:12:43 291.461575 0.010400 LBFGSLineSearch: 14 17:12:43 291.461562 0.012803 LBFGSLineSearch: 15 17:12:43 291.461545 0.007047 LBFGSLineSearch: 16 17:12:44 291.461538 0.004771 LBFGSLineSearch: 17 17:12:44 291.461532 0.003668 LBFGSLineSearch: 18 17:12:44 291.461531 0.000836 LBFGSLineSearch: 19 17:12:44 291.461531 0.000030 LBFGSLineSearch: 20 17:12:44 291.461531 0.000001 Minimization converged after 20 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:49 326.981935 3.552041 LBFGSLineSearch: 1 17:12:50 326.374676 0.469602 LBFGSLineSearch: 2 17:12:50 326.369811 0.215995 LBFGSLineSearch: 3 17:12:50 326.369179 0.085046 LBFGSLineSearch: 4 17:12:51 326.368936 0.174599 LBFGSLineSearch: 5 17:12:51 326.368644 0.074533 LBFGSLineSearch: 6 17:12:51 326.368165 0.101134 LBFGSLineSearch: 7 17:12:52 326.366774 0.121183 LBFGSLineSearch: 8 17:12:52 326.365332 0.103199 LBFGSLineSearch: 9 17:12:52 326.364993 0.040761 LBFGSLineSearch: 10 17:12:52 326.364900 0.037363 LBFGSLineSearch: 11 17:12:53 326.364842 0.028638 LBFGSLineSearch: 12 17:12:53 326.364760 0.046778 LBFGSLineSearch: 13 17:12:53 326.364558 0.068338 LBFGSLineSearch: 14 17:12:53 326.364423 0.023109 LBFGSLineSearch: 15 17:12:54 326.364397 0.016838 LBFGSLineSearch: 16 17:12:54 326.364369 0.028903 LBFGSLineSearch: 17 17:12:54 326.364304 0.002045 LBFGSLineSearch: 18 17:12:54 326.364303 0.001851 LBFGSLineSearch: 19 17:12:54 326.364303 0.000679 LBFGSLineSearch: 20 17:12:55 326.364303 0.000006 Minimization converged after 20 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:59 364.874132 3.850985 LBFGSLineSearch: 1 17:13:00 364.197371 0.518417 LBFGSLineSearch: 2 17:13:00 364.191780 0.257322 LBFGSLineSearch: 3 17:13:00 364.190885 0.103398 LBFGSLineSearch: 4 17:13:01 364.190433 0.164740 LBFGSLineSearch: 5 17:13:02 364.190066 0.111415 LBFGSLineSearch: 6 17:13:03 364.188686 0.184541 LBFGSLineSearch: 7 17:13:03 364.185086 0.209804 LBFGSLineSearch: 8 17:13:03 364.182786 0.139671 LBFGSLineSearch: 9 17:13:04 364.181092 0.102992 LBFGSLineSearch: 10 17:13:04 364.180699 0.079096 LBFGSLineSearch: 11 17:13:04 364.180314 0.069259 LBFGSLineSearch: 12 17:13:04 364.179579 0.106265 LBFGSLineSearch: 13 17:13:05 364.178839 0.059210 LBFGSLineSearch: 14 17:13:05 364.177888 0.114170 LBFGSLineSearch: 15 17:13:05 364.177139 0.031131 LBFGSLineSearch: 16 17:13:06 364.177051 0.032139 LBFGSLineSearch: 17 17:13:06 364.176827 0.013898 LBFGSLineSearch: 18 17:13:06 364.176817 0.001395 LBFGSLineSearch: 19 17:13:07 364.176817 0.000164 LBFGSLineSearch: 20 17:13:08 364.176817 0.000012 LBFGSLineSearch: 21 17:13:08 364.176817 0.000001 Minimization converged after 21 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:13 405.859639 4.168282 LBFGSLineSearch: 1 17:13:14 405.106698 0.589303 LBFGSLineSearch: 2 17:13:14 405.099737 0.296879 LBFGSLineSearch: 3 17:13:15 405.098277 0.152433 LBFGSLineSearch: 4 17:13:15 405.097203 0.177493 LBFGSLineSearch: 5 17:13:16 405.096277 0.202686 LBFGSLineSearch: 6 17:13:16 405.093746 0.183491 LBFGSLineSearch: 7 17:13:17 405.086049 0.490618 LBFGSLineSearch: 8 17:13:17 405.075960 0.525179 LBFGSLineSearch: 9 17:13:17 405.064164 0.277219 LBFGSLineSearch: 10 17:13:18 405.055739 0.430013 LBFGSLineSearch: 11 17:13:18 405.046452 0.400868 LBFGSLineSearch: 12 17:13:19 405.022109 0.805885 LBFGSLineSearch: 13 17:13:21 404.763395 4.940106 LBFGSLineSearch: 14 17:13:21 404.763085 4.919220 LBFGSLineSearch: 15 17:13:22 404.443092 2.010870 LBFGSLineSearch: 16 17:13:22 404.323455 0.968098 LBFGSLineSearch: 17 17:13:23 404.241297 1.045205 LBFGSLineSearch: 18 17:13:23 404.134918 2.748614 LBFGSLineSearch: 19 17:13:24 402.917234 10.888668 LBFGSLineSearch: 20 17:13:25 402.878872 9.909997 LBFGSLineSearch: 21 17:13:25 399.808292 5.956319 LBFGSLineSearch: 22 17:13:25 399.441446 5.136264 LBFGSLineSearch: 23 17:13:26 399.018133 4.161036 LBFGSLineSearch: 24 17:13:26 398.864998 1.513601 LBFGSLineSearch: 25 17:13:26 398.818758 0.432955 LBFGSLineSearch: 26 17:13:26 398.811792 0.293183 LBFGSLineSearch: 27 17:13:26 398.806073 0.184325 LBFGSLineSearch: 28 17:13:26 398.800863 0.294765 LBFGSLineSearch: 29 17:13:27 398.789679 0.307698 LBFGSLineSearch: 30 17:13:27 398.722567 2.621360 LBFGSLineSearch: 31 17:13:28 398.721495 2.693317 LBFGSLineSearch: 32 17:13:28 398.615120 0.732955 LBFGSLineSearch: 33 17:13:28 398.604724 0.647188 LBFGSLineSearch: 34 17:13:29 398.595131 0.259707 LBFGSLineSearch: 35 17:13:30 398.591808 0.331286 LBFGSLineSearch: 36 17:13:31 398.585601 0.325184 LBFGSLineSearch: 37 17:13:31 398.582494 0.072158 LBFGSLineSearch: 38 17:13:31 398.582226 0.032394 LBFGSLineSearch: 39 17:13:32 398.582182 0.008915 LBFGSLineSearch: 40 17:13:32 398.582179 0.013129 LBFGSLineSearch: 41 17:13:32 398.582171 0.008939 LBFGSLineSearch: 42 17:13:33 398.582166 0.003894 LBFGSLineSearch: 43 17:13:33 398.582165 0.001297 LBFGSLineSearch: 44 17:13:33 398.582165 0.000176 LBFGSLineSearch: 45 17:13:33 398.582165 0.000035 LBFGSLineSearch: 46 17:13:34 398.582165 0.000004 Minimization converged after 46 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:38 441.804171 4.322202 LBFGSLineSearch: 1 17:13:38 440.967889 0.622853 LBFGSLineSearch: 2 17:13:38 440.960847 0.439167 LBFGSLineSearch: 3 17:13:39 440.958017 0.252085 LBFGSLineSearch: 4 17:13:39 440.956637 0.320921 LBFGSLineSearch: 5 17:13:40 440.955354 0.244479 LBFGSLineSearch: 6 17:13:40 440.952821 0.167974 LBFGSLineSearch: 7 17:13:40 440.950163 0.221728 LBFGSLineSearch: 8 17:13:41 440.948968 0.137462 LBFGSLineSearch: 9 17:13:41 440.948257 0.090265 LBFGSLineSearch: 10 17:13:41 440.947873 0.075231 LBFGSLineSearch: 11 17:13:41 440.947312 0.105355 LBFGSLineSearch: 12 17:13:41 440.946557 0.124884 LBFGSLineSearch: 13 17:13:42 440.945786 0.073152 LBFGSLineSearch: 14 17:13:42 440.945387 0.054406 LBFGSLineSearch: 15 17:13:42 440.945241 0.049379 LBFGSLineSearch: 16 17:13:42 440.945146 0.033654 LBFGSLineSearch: 17 17:13:42 440.945088 0.011629 LBFGSLineSearch: 18 17:13:42 440.945078 0.003992 LBFGSLineSearch: 19 17:13:43 440.945078 0.000357 LBFGSLineSearch: 20 17:13:43 440.945078 0.000127 LBFGSLineSearch: 21 17:13:43 440.945078 0.000006 Minimization converged after 21 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:49 487.573702 4.662865 LBFGSLineSearch: 1 17:13:50 486.648343 0.631841 LBFGSLineSearch: 2 17:13:50 486.641888 0.505262 LBFGSLineSearch: 3 17:13:50 486.638856 0.295242 LBFGSLineSearch: 4 17:13:51 486.637377 0.362191 LBFGSLineSearch: 5 17:13:51 486.635983 0.251646 LBFGSLineSearch: 6 17:13:51 486.632897 0.190242 LBFGSLineSearch: 7 17:13:51 486.630308 0.369526 LBFGSLineSearch: 8 17:13:52 486.628965 0.111231 LBFGSLineSearch: 9 17:13:52 486.628450 0.071664 LBFGSLineSearch: 10 17:13:52 486.628170 0.059844 LBFGSLineSearch: 11 17:13:52 486.627876 0.081265 LBFGSLineSearch: 12 17:13:52 486.627476 0.069521 LBFGSLineSearch: 13 17:13:53 486.627109 0.060660 LBFGSLineSearch: 14 17:13:53 486.626972 0.047707 LBFGSLineSearch: 15 17:13:53 486.626855 0.039797 LBFGSLineSearch: 16 17:13:53 486.626780 0.017182 LBFGSLineSearch: 17 17:13:54 486.626763 0.004168 LBFGSLineSearch: 18 17:13:54 486.626762 0.000462 LBFGSLineSearch: 19 17:13:54 486.626762 0.000036 LBFGSLineSearch: 20 17:13:54 486.626762 0.000002 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:00 536.885993 5.025924 LBFGSLineSearch: 1 17:14:00 535.863898 0.657391 LBFGSLineSearch: 2 17:14:01 535.857702 0.575981 LBFGSLineSearch: 3 17:14:01 535.854463 0.348398 LBFGSLineSearch: 4 17:14:01 535.852802 0.410470 LBFGSLineSearch: 5 17:14:01 535.851142 0.272478 LBFGSLineSearch: 6 17:14:01 535.847278 0.193369 LBFGSLineSearch: 7 17:14:02 535.844693 0.306368 LBFGSLineSearch: 8 17:14:02 535.843445 0.095660 LBFGSLineSearch: 9 17:14:03 535.842991 0.067803 LBFGSLineSearch: 10 17:14:03 535.842780 0.058228 LBFGSLineSearch: 11 17:14:04 535.842598 0.080703 LBFGSLineSearch: 12 17:14:04 535.842388 0.064406 LBFGSLineSearch: 13 17:14:04 535.842220 0.047089 LBFGSLineSearch: 14 17:14:04 535.842107 0.042848 LBFGSLineSearch: 15 17:14:04 535.842002 0.009338 LBFGSLineSearch: 16 17:14:05 535.842000 0.000437 LBFGSLineSearch: 17 17:14:05 535.842000 0.000011 LBFGSLineSearch: 18 17:14:05 535.842000 0.000000 Minimization converged after 18 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:10 589.963606 5.412161 LBFGSLineSearch: 1 17:14:10 589.057356 2.774176 LBFGSLineSearch: 2 17:14:10 588.852264 2.124575 LBFGSLineSearch: 3 17:14:11 588.830988 0.757954 LBFGSLineSearch: 4 17:14:11 588.826746 0.530924 LBFGSLineSearch: 5 17:14:11 588.824278 0.317144 LBFGSLineSearch: 6 17:14:11 588.821643 0.305764 LBFGSLineSearch: 7 17:14:12 588.819010 0.414837 LBFGSLineSearch: 8 17:14:12 588.816747 0.322672 LBFGSLineSearch: 9 17:14:12 588.814781 0.123606 LBFGSLineSearch: 10 17:14:12 588.814242 0.063040 LBFGSLineSearch: 11 17:14:12 588.814147 0.050443 LBFGSLineSearch: 12 17:14:13 588.813974 0.046974 LBFGSLineSearch: 13 17:14:13 588.813907 0.037755 LBFGSLineSearch: 14 17:14:13 588.813846 0.037552 LBFGSLineSearch: 15 17:14:13 588.813777 0.035274 LBFGSLineSearch: 16 17:14:13 588.813747 0.011729 LBFGSLineSearch: 17 17:14:13 588.813741 0.001005 LBFGSLineSearch: 18 17:14:14 588.813741 0.000301 LBFGSLineSearch: 19 17:14:14 588.813741 0.000005 Minimization converged after 19 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:19 647.038735 5.822503 LBFGSLineSearch: 1 17:14:19 646.010666 2.824601 LBFGSLineSearch: 2 17:14:19 645.819897 2.683633 LBFGSLineSearch: 3 17:14:20 645.794799 1.039977 LBFGSLineSearch: 4 17:14:20 645.788648 0.657430 LBFGSLineSearch: 5 17:14:20 645.785257 0.394673 LBFGSLineSearch: 6 17:14:21 645.781282 0.239625 LBFGSLineSearch: 7 17:14:21 645.779094 0.455216 LBFGSLineSearch: 8 17:14:21 645.776727 0.328364 LBFGSLineSearch: 9 17:14:21 645.774554 0.162826 LBFGSLineSearch: 10 17:14:21 645.774234 0.079925 LBFGSLineSearch: 11 17:14:22 645.774121 0.058858 LBFGSLineSearch: 12 17:14:22 645.774055 0.031192 LBFGSLineSearch: 13 17:14:22 645.773969 0.017980 LBFGSLineSearch: 14 17:14:22 645.773925 0.023612 LBFGSLineSearch: 15 17:14:22 645.773892 0.019877 LBFGSLineSearch: 16 17:14:23 645.773864 0.003899 LBFGSLineSearch: 17 17:14:23 645.773863 0.000647 LBFGSLineSearch: 18 17:14:23 645.773863 0.000057 LBFGSLineSearch: 19 17:14:23 645.773863 0.000002 Minimization converged after 19 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:28 708.352865 6.257901 LBFGSLineSearch: 1 17:14:28 707.190328 2.857261 LBFGSLineSearch: 2 17:14:29 707.019863 3.462037 LBFGSLineSearch: 3 17:14:29 706.989996 1.365932 LBFGSLineSearch: 4 17:14:29 706.980906 0.834557 LBFGSLineSearch: 5 17:14:29 706.976146 0.492916 LBFGSLineSearch: 6 17:14:29 706.970715 0.236940 LBFGSLineSearch: 7 17:14:29 706.968362 0.441335 LBFGSLineSearch: 8 17:14:30 706.966606 0.375238 LBFGSLineSearch: 9 17:14:30 706.964004 0.211709 LBFGSLineSearch: 10 17:14:30 706.963603 0.074311 LBFGSLineSearch: 11 17:14:31 706.963471 0.046051 LBFGSLineSearch: 12 17:14:31 706.963428 0.038009 LBFGSLineSearch: 13 17:14:31 706.963368 0.016823 LBFGSLineSearch: 14 17:14:32 706.963354 0.014422 LBFGSLineSearch: 15 17:14:32 706.963340 0.016279 LBFGSLineSearch: 16 17:14:32 706.963326 0.000577 LBFGSLineSearch: 17 17:14:32 706.963326 0.000217 LBFGSLineSearch: 18 17:14:33 706.963326 0.000008 Minimization converged after 18 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:37 774.156550 6.719324 LBFGSLineSearch: 1 17:14:38 772.846263 2.869173 LBFGSLineSearch: 2 17:14:38 772.703811 4.552848 LBFGSLineSearch: 3 17:14:38 772.667856 1.709259 LBFGSLineSearch: 4 17:14:39 772.654370 1.086906 LBFGSLineSearch: 5 17:14:39 772.647376 0.635078 LBFGSLineSearch: 6 17:14:39 772.639482 0.245172 LBFGSLineSearch: 7 17:14:39 772.637112 0.347395 LBFGSLineSearch: 8 17:14:39 772.635108 0.455379 LBFGSLineSearch: 9 17:14:39 772.632755 0.187300 LBFGSLineSearch: 10 17:14:40 772.632346 0.159609 LBFGSLineSearch: 11 17:14:40 772.632123 0.057725 LBFGSLineSearch: 12 17:14:40 772.632088 0.055217 LBFGSLineSearch: 13 17:14:40 772.632055 0.016771 LBFGSLineSearch: 14 17:14:40 772.632041 0.010051 LBFGSLineSearch: 15 17:14:41 772.632034 0.006424 LBFGSLineSearch: 16 17:14:41 772.632031 0.007722 LBFGSLineSearch: 17 17:14:41 772.632028 0.001561 LBFGSLineSearch: 18 17:14:41 772.632028 0.000136 LBFGSLineSearch: 19 17:14:41 772.632028 0.000006 Minimization converged after 19 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:46 844.708993 7.207697 LBFGSLineSearch: 1 17:14:46 843.237138 2.857168 LBFGSLineSearch: 2 17:14:46 843.102501 3.987777 LBFGSLineSearch: 3 17:14:47 843.063709 1.611391 LBFGSLineSearch: 4 17:14:47 843.052739 0.937567 LBFGSLineSearch: 5 17:14:47 843.049805 0.509157 LBFGSLineSearch: 6 17:14:47 843.046065 0.291905 LBFGSLineSearch: 7 17:14:48 843.043920 0.690099 LBFGSLineSearch: 8 17:14:48 843.040628 0.354886 LBFGSLineSearch: 9 17:14:48 843.038951 0.283599 LBFGSLineSearch: 10 17:14:48 843.038478 0.167149 LBFGSLineSearch: 11 17:14:48 843.038432 0.059428 LBFGSLineSearch: 12 17:14:49 843.038399 0.074915 LBFGSLineSearch: 13 17:14:49 843.038384 0.009724 LBFGSLineSearch: 14 17:14:49 843.038379 0.005874 LBFGSLineSearch: 15 17:14:49 843.038378 0.001837 LBFGSLineSearch: 16 17:14:49 843.038378 0.000313 LBFGSLineSearch: 17 17:14:49 843.038378 0.000656 LBFGSLineSearch: 18 17:14:49 843.038378 0.000094 LBFGSLineSearch: 19 17:14:50 843.038378 0.000005 Minimization converged after 19 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:55 920.277290 7.723892 LBFGSLineSearch: 1 17:14:55 918.629651 2.817999 LBFGSLineSearch: 2 17:14:55 918.523155 4.558755 LBFGSLineSearch: 3 17:14:55 918.478285 1.965032 LBFGSLineSearch: 4 17:14:56 918.464578 1.071579 LBFGSLineSearch: 5 17:14:57 918.460982 0.632974 LBFGSLineSearch: 6 17:14:57 918.456707 0.351113 LBFGSLineSearch: 7 17:14:58 918.454913 0.390210 LBFGSLineSearch: 8 17:14:58 918.451395 0.353142 LBFGSLineSearch: 9 17:14:58 918.449544 0.323824 LBFGSLineSearch: 10 17:14:59 918.448658 0.218008 LBFGSLineSearch: 11 17:14:59 918.448587 0.084312 LBFGSLineSearch: 12 17:15:00 918.448561 0.078500 LBFGSLineSearch: 13 17:15:00 918.448546 0.024576 LBFGSLineSearch: 14 17:15:00 918.448536 0.009057 LBFGSLineSearch: 15 17:15:00 918.448532 0.011661 LBFGSLineSearch: 16 17:15:01 918.448530 0.005898 LBFGSLineSearch: 17 17:15:01 918.448529 0.003646 LBFGSLineSearch: 18 17:15:01 918.448528 0.003466 LBFGSLineSearch: 19 17:15:01 918.448528 0.001234 LBFGSLineSearch: 20 17:15:01 918.448528 0.000050 LBFGSLineSearch: 21 17:15:01 918.448528 0.000007 Minimization converged after 21 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:06 1001.135226 8.268671 LBFGSLineSearch: 1 17:15:07 999.297365 2.748511 LBFGSLineSearch: 2 17:15:07 999.219453 4.926562 LBFGSLineSearch: 3 17:15:07 999.169904 2.254823 LBFGSLineSearch: 4 17:15:08 999.153717 1.139338 LBFGSLineSearch: 5 17:15:09 999.149210 0.682614 LBFGSLineSearch: 6 17:15:09 999.144236 0.421645 LBFGSLineSearch: 7 17:15:09 999.142622 0.426582 LBFGSLineSearch: 8 17:15:10 999.139033 0.360480 LBFGSLineSearch: 9 17:15:10 999.136878 0.298727 LBFGSLineSearch: 10 17:15:10 999.135294 0.152824 LBFGSLineSearch: 11 17:15:10 999.135227 0.083660 LBFGSLineSearch: 12 17:15:11 999.135175 0.045431 LBFGSLineSearch: 13 17:15:11 999.135102 0.123683 LBFGSLineSearch: 14 17:15:11 999.135079 0.044704 LBFGSLineSearch: 15 17:15:11 999.135074 0.004386 LBFGSLineSearch: 16 17:15:12 999.135073 0.008238 LBFGSLineSearch: 17 17:15:12 999.135073 0.001582 LBFGSLineSearch: 18 17:15:12 999.135073 0.000103 LBFGSLineSearch: 19 17:15:12 999.135073 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:17 1087.561267 8.842619 LBFGSLineSearch: 1 17:15:17 1085.518730 2.645933 LBFGSLineSearch: 2 17:15:17 1085.466434 4.898382 LBFGSLineSearch: 3 17:15:17 1085.415881 2.458422 LBFGSLineSearch: 4 17:15:17 1085.397958 1.218566 LBFGSLineSearch: 5 17:15:18 1085.392073 0.820828 LBFGSLineSearch: 6 17:15:18 1085.386079 0.510646 LBFGSLineSearch: 7 17:15:18 1085.384225 0.479820 LBFGSLineSearch: 8 17:15:18 1085.380573 0.441452 LBFGSLineSearch: 9 17:15:18 1085.378163 0.334145 LBFGSLineSearch: 10 17:15:19 1085.375372 0.094609 LBFGSLineSearch: 11 17:15:19 1085.375253 0.050847 LBFGSLineSearch: 12 17:15:19 1085.374965 0.207939 LBFGSLineSearch: 13 17:15:19 1085.374822 0.095699 LBFGSLineSearch: 14 17:15:19 1085.374788 0.006292 LBFGSLineSearch: 15 17:15:19 1085.374787 0.003855 LBFGSLineSearch: 16 17:15:20 1085.374786 0.000615 LBFGSLineSearch: 17 17:15:20 1085.374786 0.000227 LBFGSLineSearch: 18 17:15:20 1085.374786 0.000002 Minimization converged after 18 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:24 1179.834819 9.446004 LBFGSLineSearch: 1 17:15:25 1177.573380 2.508590 LBFGSLineSearch: 2 17:15:25 1177.540702 4.468218 LBFGSLineSearch: 3 17:15:25 1177.493876 2.525833 LBFGSLineSearch: 4 17:15:25 1177.475388 1.278706 LBFGSLineSearch: 5 17:15:25 1177.467683 1.021944 LBFGSLineSearch: 6 17:15:26 1177.460210 0.636065 LBFGSLineSearch: 7 17:15:26 1177.457641 0.580620 LBFGSLineSearch: 8 17:15:26 1177.453520 0.588365 LBFGSLineSearch: 9 17:15:26 1177.450685 0.391338 LBFGSLineSearch: 10 17:15:26 1177.445804 0.122488 LBFGSLineSearch: 11 17:15:27 1177.445510 0.085222 LBFGSLineSearch: 12 17:15:27 1177.444423 0.140392 LBFGSLineSearch: 13 17:15:27 1177.444189 0.041634 LBFGSLineSearch: 14 17:15:27 1177.444152 0.031014 LBFGSLineSearch: 15 17:15:27 1177.444137 0.019906 LBFGSLineSearch: 16 17:15:28 1177.444132 0.002494 LBFGSLineSearch: 17 17:15:28 1177.444132 0.000199 LBFGSLineSearch: 18 17:15:28 1177.444132 0.000007 Minimization converged after 18 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:33 1278.228081 10.078398 Failed to get energy or crystal structure at pressure 3649.1211495028265 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:34 -76.198758 0.000539 LBFGSLineSearch: 1 17:15:34 -76.198758 0.000121 LBFGSLineSearch: 2 17:15:34 -76.198758 0.000029 LBFGSLineSearch: 3 17:15:34 -76.198758 0.000011 LBFGSLineSearch: 4 17:15:35 -76.198758 0.000004 Minimization converged after 4 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:40 -76.687526 0.048878 LBFGSLineSearch: 1 17:15:40 -76.688037 0.015101 LBFGSLineSearch: 2 17:15:40 -76.688070 0.004056 LBFGSLineSearch: 3 17:15:40 -76.688073 0.001256 LBFGSLineSearch: 4 17:15:41 -76.688074 0.001124 LBFGSLineSearch: 5 17:15:41 -76.688074 0.001199 LBFGSLineSearch: 6 17:15:41 -76.688074 0.000567 LBFGSLineSearch: 7 17:15:42 -76.688074 0.000434 LBFGSLineSearch: 8 17:15:42 -76.688074 0.000563 LBFGSLineSearch: 9 17:15:42 -76.688074 0.000257 LBFGSLineSearch: 10 17:15:42 -76.688074 0.000211 LBFGSLineSearch: 11 17:15:43 -76.688074 0.000125 LBFGSLineSearch: 12 17:15:43 -76.688074 0.000064 LBFGSLineSearch: 13 17:15:43 -76.688074 0.000048 LBFGSLineSearch: 14 17:15:44 -76.688074 0.000015 LBFGSLineSearch: 15 17:15:45 -76.688074 0.000015 LBFGSLineSearch: 16 17:15:45 -76.688074 0.000012 LBFGSLineSearch: 17 17:15:45 -76.688074 0.000009 Minimization converged after 17 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:50 -77.177941 0.048991 LBFGSLineSearch: 1 17:15:50 -77.178457 0.015251 LBFGSLineSearch: 2 17:15:51 -77.178491 0.004091 LBFGSLineSearch: 3 17:15:51 -77.178494 0.001253 LBFGSLineSearch: 4 17:15:51 -77.178495 0.001118 LBFGSLineSearch: 5 17:15:52 -77.178495 0.001202 LBFGSLineSearch: 6 17:15:52 -77.178495 0.000581 LBFGSLineSearch: 7 17:15:52 -77.178495 0.000447 LBFGSLineSearch: 8 17:15:53 -77.178496 0.000566 LBFGSLineSearch: 9 17:15:53 -77.178496 0.000258 LBFGSLineSearch: 10 17:15:53 -77.178496 0.000212 LBFGSLineSearch: 11 17:15:54 -77.178496 0.000128 LBFGSLineSearch: 12 17:15:54 -77.178496 0.000063 LBFGSLineSearch: 13 17:15:54 -77.178496 0.000049 LBFGSLineSearch: 14 17:15:55 -77.178496 0.000018 LBFGSLineSearch: 15 17:15:55 -77.178496 0.000017 LBFGSLineSearch: 16 17:15:56 -77.178496 0.000015 LBFGSLineSearch: 17 17:15:56 -77.178496 0.000009 Minimization converged after 17 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:01 -77.669474 0.049101 LBFGSLineSearch: 1 17:16:01 -77.669997 0.015406 LBFGSLineSearch: 2 17:16:02 -77.670032 0.004127 LBFGSLineSearch: 3 17:16:02 -77.670035 0.001251 LBFGSLineSearch: 4 17:16:02 -77.670036 0.001113 LBFGSLineSearch: 5 17:16:03 -77.670036 0.001204 LBFGSLineSearch: 6 17:16:03 -77.670036 0.000595 LBFGSLineSearch: 7 17:16:03 -77.670036 0.000461 LBFGSLineSearch: 8 17:16:04 -77.670036 0.000567 LBFGSLineSearch: 9 17:16:04 -77.670036 0.000259 LBFGSLineSearch: 10 17:16:04 -77.670036 0.000213 LBFGSLineSearch: 11 17:16:05 -77.670036 0.000130 LBFGSLineSearch: 12 17:16:05 -77.670036 0.000060 LBFGSLineSearch: 13 17:16:05 -77.670036 0.000050 LBFGSLineSearch: 14 17:16:05 -77.670036 0.000020 LBFGSLineSearch: 15 17:16:05 -77.670036 0.000020 LBFGSLineSearch: 16 17:16:06 -77.670036 0.000018 LBFGSLineSearch: 17 17:16:06 -77.670036 0.000010 Minimization converged after 17 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:10 -78.162142 0.049214 LBFGSLineSearch: 1 17:16:11 -78.162670 0.015566 LBFGSLineSearch: 2 17:16:12 -78.162707 0.004164 LBFGSLineSearch: 3 17:16:12 -78.162710 0.001261 LBFGSLineSearch: 4 17:16:12 -78.162710 0.001108 LBFGSLineSearch: 5 17:16:12 -78.162711 0.001207 LBFGSLineSearch: 6 17:16:12 -78.162711 0.000610 LBFGSLineSearch: 7 17:16:12 -78.162711 0.000476 LBFGSLineSearch: 8 17:16:13 -78.162711 0.000566 LBFGSLineSearch: 9 17:16:13 -78.162711 0.000260 LBFGSLineSearch: 10 17:16:13 -78.162711 0.000213 LBFGSLineSearch: 11 17:16:13 -78.162711 0.000134 LBFGSLineSearch: 12 17:16:13 -78.162711 0.000069 LBFGSLineSearch: 13 17:16:13 -78.162711 0.000051 LBFGSLineSearch: 14 17:16:14 -78.162711 0.000023 LBFGSLineSearch: 15 17:16:14 -78.162711 0.000022 LBFGSLineSearch: 16 17:16:14 -78.162711 0.000020 LBFGSLineSearch: 17 17:16:14 -78.162711 0.000010 LBFGSLineSearch: 18 17:16:15 -78.162711 0.000002 Minimization converged after 18 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:20 -78.655958 0.049325 LBFGSLineSearch: 1 17:16:20 -78.656493 0.015731 LBFGSLineSearch: 2 17:16:20 -78.656531 0.004203 LBFGSLineSearch: 3 17:16:20 -78.656534 0.001272 LBFGSLineSearch: 4 17:16:21 -78.656534 0.001103 LBFGSLineSearch: 5 17:16:21 -78.656534 0.001210 LBFGSLineSearch: 6 17:16:22 -78.656535 0.000626 LBFGSLineSearch: 7 17:16:22 -78.656535 0.000491 LBFGSLineSearch: 8 17:16:23 -78.656535 0.000564 LBFGSLineSearch: 9 17:16:23 -78.656535 0.000262 LBFGSLineSearch: 10 17:16:24 -78.656535 0.000213 LBFGSLineSearch: 11 17:16:24 -78.656535 0.000138 LBFGSLineSearch: 12 17:16:24 -78.656535 0.000079 LBFGSLineSearch: 13 17:16:24 -78.656535 0.000051 LBFGSLineSearch: 14 17:16:25 -78.656535 0.000025 LBFGSLineSearch: 15 17:16:25 -78.656535 0.000025 LBFGSLineSearch: 16 17:16:25 -78.656535 0.000022 LBFGSLineSearch: 17 17:16:25 -78.656535 0.000010 LBFGSLineSearch: 18 17:16:26 -78.656535 0.000003 Minimization converged after 18 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:31 -79.150939 0.049442 LBFGSLineSearch: 1 17:16:31 -79.151481 0.015900 LBFGSLineSearch: 2 17:16:31 -79.151519 0.004243 LBFGSLineSearch: 3 17:16:32 -79.151522 0.001283 LBFGSLineSearch: 4 17:16:33 -79.151523 0.001098 LBFGSLineSearch: 5 17:16:33 -79.151523 0.001212 LBFGSLineSearch: 6 17:16:33 -79.151523 0.000643 LBFGSLineSearch: 7 17:16:33 -79.151523 0.000507 LBFGSLineSearch: 8 17:16:34 -79.151523 0.000559 LBFGSLineSearch: 9 17:16:34 -79.151523 0.000264 LBFGSLineSearch: 10 17:16:34 -79.151523 0.000213 LBFGSLineSearch: 11 17:16:34 -79.151524 0.000139 LBFGSLineSearch: 12 17:16:34 -79.151524 0.000068 LBFGSLineSearch: 13 17:16:34 -79.151524 0.000051 LBFGSLineSearch: 14 17:16:35 -79.151524 0.000028 LBFGSLineSearch: 15 17:16:35 -79.151524 0.000028 LBFGSLineSearch: 16 17:16:35 -79.151524 0.000024 LBFGSLineSearch: 17 17:16:36 -79.151524 0.000010 LBFGSLineSearch: 18 17:16:36 -79.151524 0.000003 Minimization converged after 18 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:40 -79.647100 0.049559 LBFGSLineSearch: 1 17:16:41 -79.647648 0.016073 LBFGSLineSearch: 2 17:16:41 -79.647688 0.004283 LBFGSLineSearch: 3 17:16:41 -79.647691 0.001295 LBFGSLineSearch: 4 17:16:41 -79.647692 0.001094 LBFGSLineSearch: 5 17:16:42 -79.647692 0.001215 LBFGSLineSearch: 6 17:16:42 -79.647692 0.000660 LBFGSLineSearch: 7 17:16:43 -79.647692 0.000523 LBFGSLineSearch: 8 17:16:43 -79.647692 0.000554 LBFGSLineSearch: 9 17:16:43 -79.647692 0.000266 LBFGSLineSearch: 10 17:16:44 -79.647692 0.000213 LBFGSLineSearch: 11 17:16:44 -79.647693 0.000142 LBFGSLineSearch: 12 17:16:45 -79.647693 0.000074 LBFGSLineSearch: 13 17:16:45 -79.647693 0.000052 LBFGSLineSearch: 14 17:16:46 -79.647693 0.000030 LBFGSLineSearch: 15 17:16:46 -79.647693 0.000031 LBFGSLineSearch: 16 17:16:47 -79.647693 0.000026 LBFGSLineSearch: 17 17:16:47 -79.647693 0.000010 LBFGSLineSearch: 18 17:16:47 -79.647693 0.000004 Minimization converged after 18 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:52 -80.144457 0.049677 LBFGSLineSearch: 1 17:16:52 -80.145013 0.016252 LBFGSLineSearch: 2 17:16:52 -80.145054 0.004325 LBFGSLineSearch: 3 17:16:52 -80.145057 0.001306 LBFGSLineSearch: 4 17:16:53 -80.145058 0.001090 LBFGSLineSearch: 5 17:16:53 -80.145058 0.001218 LBFGSLineSearch: 6 17:16:53 -80.145058 0.000678 LBFGSLineSearch: 7 17:16:53 -80.145058 0.000541 LBFGSLineSearch: 8 17:16:54 -80.145058 0.000462 LBFGSLineSearch: 9 17:16:54 -80.145058 0.000653 LBFGSLineSearch: 10 17:16:54 -80.145058 0.000285 LBFGSLineSearch: 11 17:16:55 -80.145058 0.000209 LBFGSLineSearch: 12 17:16:55 -80.145058 0.000121 LBFGSLineSearch: 13 17:16:55 -80.145058 0.000064 LBFGSLineSearch: 14 17:16:55 -80.145058 0.000048 LBFGSLineSearch: 15 17:16:56 -80.145058 0.000031 LBFGSLineSearch: 16 17:16:56 -80.145058 0.000028 LBFGSLineSearch: 17 17:16:57 -80.145058 0.000024 LBFGSLineSearch: 18 17:16:57 -80.145058 0.000009 Minimization converged after 18 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:01 -80.643028 0.049799 LBFGSLineSearch: 1 17:17:02 -80.643591 0.016434 LBFGSLineSearch: 2 17:17:02 -80.643633 0.004367 LBFGSLineSearch: 3 17:17:02 -80.643637 0.001317 LBFGSLineSearch: 4 17:17:02 -80.643637 0.001105 LBFGSLineSearch: 5 17:17:02 -80.643637 0.001220 LBFGSLineSearch: 6 17:17:03 -80.643638 0.000696 LBFGSLineSearch: 7 17:17:03 -80.643638 0.000559 LBFGSLineSearch: 8 17:17:03 -80.643638 0.000474 LBFGSLineSearch: 9 17:17:03 -80.643638 0.000672 LBFGSLineSearch: 10 17:17:04 -80.643638 0.000287 LBFGSLineSearch: 11 17:17:04 -80.643638 0.000208 LBFGSLineSearch: 12 17:17:04 -80.643638 0.000124 LBFGSLineSearch: 13 17:17:05 -80.643638 0.000064 LBFGSLineSearch: 14 17:17:06 -80.643638 0.000047 LBFGSLineSearch: 15 17:17:06 -80.643638 0.000034 LBFGSLineSearch: 16 17:17:06 -80.643638 0.000029 LBFGSLineSearch: 17 17:17:07 -80.643638 0.000026 LBFGSLineSearch: 18 17:17:07 -80.643638 0.000009 Minimization converged after 18 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:11 -81.142830 0.049921 LBFGSLineSearch: 1 17:17:11 -81.143401 0.016624 LBFGSLineSearch: 2 17:17:12 -81.143444 0.004410 LBFGSLineSearch: 3 17:17:12 -81.143448 0.001328 LBFGSLineSearch: 4 17:17:12 -81.143448 0.001120 LBFGSLineSearch: 5 17:17:13 -81.143448 0.001223 LBFGSLineSearch: 6 17:17:13 -81.143449 0.000716 LBFGSLineSearch: 7 17:17:13 -81.143449 0.000578 LBFGSLineSearch: 8 17:17:14 -81.143449 0.000485 LBFGSLineSearch: 9 17:17:14 -81.143449 0.000691 LBFGSLineSearch: 10 17:17:14 -81.143449 0.000289 LBFGSLineSearch: 11 17:17:15 -81.143449 0.000208 LBFGSLineSearch: 12 17:17:15 -81.143449 0.000127 LBFGSLineSearch: 13 17:17:15 -81.143449 0.000064 LBFGSLineSearch: 14 17:17:15 -81.143449 0.000050 LBFGSLineSearch: 15 17:17:16 -81.143449 0.000036 LBFGSLineSearch: 16 17:17:17 -81.143449 0.000035 LBFGSLineSearch: 17 17:17:18 -81.143449 0.000048 LBFGSLineSearch: 18 17:17:18 -81.143449 0.000025 LBFGSLineSearch: 19 17:17:18 -81.143449 0.000008 Minimization converged after 19 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:23 -81.643881 0.050045 LBFGSLineSearch: 1 17:17:24 -81.644459 0.016819 LBFGSLineSearch: 2 17:17:25 -81.644504 0.004456 LBFGSLineSearch: 3 17:17:26 -81.644508 0.001339 LBFGSLineSearch: 4 17:17:27 -81.644508 0.001136 LBFGSLineSearch: 5 17:17:28 -81.644508 0.001226 LBFGSLineSearch: 6 17:17:30 -81.644509 0.000736 LBFGSLineSearch: 7 17:17:31 -81.644509 0.000597 LBFGSLineSearch: 8 17:17:32 -81.644509 0.000497 LBFGSLineSearch: 9 17:17:32 -81.644509 0.000709 LBFGSLineSearch: 10 17:17:33 -81.644509 0.000291 LBFGSLineSearch: 11 17:17:33 -81.644509 0.000206 LBFGSLineSearch: 12 17:17:34 -81.644509 0.000132 LBFGSLineSearch: 13 17:17:34 -81.644509 0.000065 LBFGSLineSearch: 14 17:17:35 -81.644509 0.000049 LBFGSLineSearch: 15 17:17:36 -81.644509 0.000038 LBFGSLineSearch: 16 17:17:36 -81.644509 0.000037 LBFGSLineSearch: 17 17:17:37 -81.644509 0.000045 LBFGSLineSearch: 18 17:17:37 -81.644509 0.000025 LBFGSLineSearch: 19 17:17:38 -81.644509 0.000008 Minimization converged after 19 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:43 -82.146200 0.050170 LBFGSLineSearch: 1 17:17:44 -82.146786 0.017020 LBFGSLineSearch: 2 17:17:45 -82.146832 0.004502 LBFGSLineSearch: 3 17:17:46 -82.146835 0.001349 LBFGSLineSearch: 4 17:17:47 -82.146836 0.001152 LBFGSLineSearch: 5 17:17:48 -82.146836 0.001229 LBFGSLineSearch: 6 17:17:48 -82.146836 0.000757 LBFGSLineSearch: 7 17:17:50 -82.146837 0.000618 LBFGSLineSearch: 8 17:17:51 -82.146837 0.000509 LBFGSLineSearch: 9 17:17:52 -82.146837 0.000727 LBFGSLineSearch: 10 17:17:52 -82.146837 0.000294 LBFGSLineSearch: 11 17:17:52 -82.146837 0.000205 LBFGSLineSearch: 12 17:17:53 -82.146837 0.000133 LBFGSLineSearch: 13 17:17:54 -82.146837 0.000077 LBFGSLineSearch: 14 17:17:56 -82.146837 0.000046 LBFGSLineSearch: 15 17:17:56 -82.146837 0.000070 LBFGSLineSearch: 16 17:17:57 -82.146837 0.000039 LBFGSLineSearch: 17 17:17:57 -82.146837 0.000036 LBFGSLineSearch: 18 17:17:58 -82.146837 0.000049 LBFGSLineSearch: 19 17:17:58 -82.146837 0.000025 LBFGSLineSearch: 20 17:17:59 -82.146837 0.000007 Minimization converged after 20 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:04 -82.649805 0.050298 LBFGSLineSearch: 1 17:18:05 -82.650399 0.017228 LBFGSLineSearch: 2 17:18:05 -82.650446 0.004550 LBFGSLineSearch: 3 17:18:05 -82.650450 0.001360 LBFGSLineSearch: 4 17:18:05 -82.650450 0.001168 LBFGSLineSearch: 5 17:18:06 -82.650451 0.001232 LBFGSLineSearch: 6 17:18:06 -82.650451 0.000779 LBFGSLineSearch: 7 17:18:06 -82.650451 0.000640 LBFGSLineSearch: 8 17:18:06 -82.650451 0.000521 LBFGSLineSearch: 9 17:18:07 -82.650451 0.000745 LBFGSLineSearch: 10 17:18:07 -82.650452 0.000296 LBFGSLineSearch: 11 17:18:07 -82.650452 0.000203 LBFGSLineSearch: 12 17:18:07 -82.650452 0.000138 LBFGSLineSearch: 13 17:18:08 -82.650452 0.000074 LBFGSLineSearch: 14 17:18:08 -82.650452 0.000047 LBFGSLineSearch: 15 17:18:08 -82.650452 0.000074 LBFGSLineSearch: 16 17:18:08 -82.650452 0.000041 LBFGSLineSearch: 17 17:18:09 -82.650452 0.000038 LBFGSLineSearch: 18 17:18:09 -82.650452 0.000046 LBFGSLineSearch: 19 17:18:09 -82.650452 0.000025 LBFGSLineSearch: 20 17:18:10 -82.650452 0.000007 Minimization converged after 20 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:14 -83.154716 0.050428 LBFGSLineSearch: 1 17:18:15 -83.155318 0.017443 LBFGSLineSearch: 2 17:18:15 -83.155367 0.004600 LBFGSLineSearch: 3 17:18:15 -83.155371 0.001370 LBFGSLineSearch: 4 17:18:16 -83.155372 0.001184 LBFGSLineSearch: 5 17:18:16 -83.155372 0.001235 LBFGSLineSearch: 6 17:18:17 -83.155372 0.000802 LBFGSLineSearch: 7 17:18:18 -83.155373 0.000662 LBFGSLineSearch: 8 17:18:18 -83.155373 0.000533 LBFGSLineSearch: 9 17:18:18 -83.155373 0.000762 LBFGSLineSearch: 10 17:18:19 -83.155373 0.000297 LBFGSLineSearch: 11 17:18:19 -83.155373 0.000201 LBFGSLineSearch: 12 17:18:20 -83.155373 0.000142 LBFGSLineSearch: 13 17:18:20 -83.155373 0.000097 LBFGSLineSearch: 14 17:18:20 -83.155373 0.000047 LBFGSLineSearch: 15 17:18:21 -83.155373 0.000074 LBFGSLineSearch: 16 17:18:21 -83.155373 0.000042 LBFGSLineSearch: 17 17:18:21 -83.155373 0.000037 LBFGSLineSearch: 18 17:18:21 -83.155373 0.000051 LBFGSLineSearch: 19 17:18:22 -83.155373 0.000026 LBFGSLineSearch: 20 17:18:22 -83.155373 0.000007 Minimization converged after 20 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:28 -83.660954 0.050559 LBFGSLineSearch: 1 17:18:31 -83.661565 0.017665 LBFGSLineSearch: 2 17:18:32 -83.661615 0.004651 LBFGSLineSearch: 3 17:18:34 -83.661620 0.001380 LBFGSLineSearch: 4 17:18:34 -83.661620 0.001201 LBFGSLineSearch: 5 17:18:36 -83.661620 0.001239 LBFGSLineSearch: 6 17:18:36 -83.661621 0.000826 LBFGSLineSearch: 7 17:18:38 -83.661621 0.000683 LBFGSLineSearch: 8 17:18:40 -83.661621 0.000545 LBFGSLineSearch: 9 17:18:41 -83.661621 0.000780 LBFGSLineSearch: 10 17:18:42 -83.661621 0.000299 LBFGSLineSearch: 11 17:18:43 -83.661621 0.000199 LBFGSLineSearch: 12 17:18:44 -83.661621 0.000146 LBFGSLineSearch: 13 17:18:45 -83.661621 0.000080 LBFGSLineSearch: 14 17:18:45 -83.661621 0.000051 LBFGSLineSearch: 15 17:18:46 -83.661621 0.000075 LBFGSLineSearch: 16 17:18:47 -83.661621 0.000045 LBFGSLineSearch: 17 17:18:47 -83.661621 0.000037 LBFGSLineSearch: 18 17:18:48 -83.661621 0.000032 LBFGSLineSearch: 19 17:18:49 -83.661621 0.000007 Minimization converged after 19 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:54 -84.168540 0.050693 LBFGSLineSearch: 1 17:18:54 -84.169159 0.017894 LBFGSLineSearch: 2 17:18:55 -84.169212 0.004703 LBFGSLineSearch: 3 17:18:55 -84.169216 0.001389 LBFGSLineSearch: 4 17:18:56 -84.169217 0.001218 LBFGSLineSearch: 5 17:18:56 -84.169217 0.001243 LBFGSLineSearch: 6 17:18:57 -84.169217 0.000852 LBFGSLineSearch: 7 17:18:57 -84.169217 0.000703 LBFGSLineSearch: 8 17:18:57 -84.169218 0.000556 LBFGSLineSearch: 9 17:18:58 -84.169218 0.000799 LBFGSLineSearch: 10 17:18:59 -84.169218 0.000301 LBFGSLineSearch: 11 17:19:02 -84.169218 0.000197 LBFGSLineSearch: 12 17:19:05 -84.169218 0.000152 LBFGSLineSearch: 13 17:19:07 -84.169218 0.000089 LBFGSLineSearch: 14 17:19:09 -84.169218 0.000056 LBFGSLineSearch: 15 17:19:09 -84.169218 0.000080 LBFGSLineSearch: 16 17:19:10 -84.169218 0.000046 LBFGSLineSearch: 17 17:19:11 -84.169218 0.000040 LBFGSLineSearch: 18 17:19:12 -84.169218 0.000045 LBFGSLineSearch: 19 17:19:13 -84.169218 0.000025 LBFGSLineSearch: 20 17:19:14 -84.169218 0.000006 Minimization converged after 20 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:19 -84.677496 0.050829 LBFGSLineSearch: 1 17:19:19 -84.678124 0.018131 LBFGSLineSearch: 2 17:19:20 -84.678178 0.004757 LBFGSLineSearch: 3 17:19:21 -84.678183 0.001399 LBFGSLineSearch: 4 17:19:21 -84.678183 0.001235 LBFGSLineSearch: 5 17:19:22 -84.678184 0.001247 LBFGSLineSearch: 6 17:19:22 -84.678184 0.000878 LBFGSLineSearch: 7 17:19:22 -84.678184 0.000724 LBFGSLineSearch: 8 17:19:23 -84.678184 0.000568 LBFGSLineSearch: 9 17:19:24 -84.678184 0.000817 LBFGSLineSearch: 10 17:19:25 -84.678184 0.000302 LBFGSLineSearch: 11 17:19:27 -84.678184 0.000194 LBFGSLineSearch: 12 17:19:28 -84.678184 0.000157 LBFGSLineSearch: 13 17:19:29 -84.678184 0.000093 LBFGSLineSearch: 14 17:19:29 -84.678184 0.000060 LBFGSLineSearch: 15 17:19:30 -84.678184 0.000081 LBFGSLineSearch: 16 17:19:30 -84.678184 0.000048 LBFGSLineSearch: 17 17:19:31 -84.678184 0.000038 LBFGSLineSearch: 18 17:19:31 -84.678184 0.000049 LBFGSLineSearch: 19 17:19:32 -84.678184 0.000026 LBFGSLineSearch: 20 17:19:33 -84.678184 0.000006 Minimization converged after 20 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:39 -85.187844 0.050967 LBFGSLineSearch: 1 17:19:42 -85.188482 0.018377 LBFGSLineSearch: 2 17:19:43 -85.188538 0.004814 LBFGSLineSearch: 3 17:19:45 -85.188542 0.001408 LBFGSLineSearch: 4 17:19:46 -85.188543 0.001252 LBFGSLineSearch: 5 17:19:48 -85.188543 0.001252 LBFGSLineSearch: 6 17:19:51 -85.188543 0.000906 LBFGSLineSearch: 7 17:19:53 -85.188544 0.000746 LBFGSLineSearch: 8 17:19:54 -85.188544 0.000579 LBFGSLineSearch: 9 17:19:56 -85.188544 0.000835 LBFGSLineSearch: 10 17:19:56 -85.188544 0.000303 LBFGSLineSearch: 11 17:19:56 -85.188544 0.000191 LBFGSLineSearch: 12 17:19:57 -85.188544 0.000161 LBFGSLineSearch: 13 17:19:57 -85.188544 0.000085 LBFGSLineSearch: 14 17:19:58 -85.188544 0.000065 LBFGSLineSearch: 15 17:19:58 -85.188544 0.000077 LBFGSLineSearch: 16 17:19:59 -85.188544 0.000047 LBFGSLineSearch: 17 17:20:00 -85.188544 0.000030 LBFGSLineSearch: 18 17:20:00 -85.188544 0.000034 LBFGSLineSearch: 19 17:20:02 -85.188544 0.000027 LBFGSLineSearch: 20 17:20:03 -85.188544 0.000006 Minimization converged after 20 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:08 -85.699608 0.051107 LBFGSLineSearch: 1 17:20:09 -85.700255 0.018631 LBFGSLineSearch: 2 17:20:10 -85.700313 0.004871 LBFGSLineSearch: 3 17:20:11 -85.700318 0.001421 LBFGSLineSearch: 4 17:20:12 -85.700318 0.001269 LBFGSLineSearch: 5 17:20:12 -85.700319 0.001257 LBFGSLineSearch: 6 17:20:13 -85.700319 0.000935 LBFGSLineSearch: 7 17:20:14 -85.700320 0.000680 LBFGSLineSearch: 8 17:20:15 -85.700320 0.000384 LBFGSLineSearch: 9 17:20:15 -85.700320 0.000457 LBFGSLineSearch: 10 17:20:16 -85.700320 0.000187 LBFGSLineSearch: 11 17:20:17 -85.700320 0.000177 LBFGSLineSearch: 12 17:20:17 -85.700320 0.000066 LBFGSLineSearch: 13 17:20:19 -85.700320 0.000071 LBFGSLineSearch: 14 17:20:19 -85.700320 0.000070 LBFGSLineSearch: 15 17:20:20 -85.700320 0.000048 LBFGSLineSearch: 16 17:20:20 -85.700320 0.000047 LBFGSLineSearch: 17 17:20:21 -85.700320 0.000028 LBFGSLineSearch: 18 17:20:22 -85.700320 0.000022 LBFGSLineSearch: 19 17:20:23 -85.700320 0.000006 Minimization converged after 19 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:28 -86.212812 0.051250 LBFGSLineSearch: 1 17:20:28 -86.213469 0.018895 LBFGSLineSearch: 2 17:20:29 -86.213530 0.004931 LBFGSLineSearch: 3 17:20:29 -86.213534 0.001456 LBFGSLineSearch: 4 17:20:29 -86.213535 0.001287 LBFGSLineSearch: 5 17:20:30 -86.213535 0.001263 LBFGSLineSearch: 6 17:20:30 -86.213536 0.000965 LBFGSLineSearch: 7 17:20:31 -86.213536 0.000689 LBFGSLineSearch: 8 17:20:31 -86.213536 0.000378 LBFGSLineSearch: 9 17:20:31 -86.213537 0.000302 LBFGSLineSearch: 10 17:20:32 -86.213537 0.000180 LBFGSLineSearch: 11 17:20:32 -86.213537 0.000172 LBFGSLineSearch: 12 17:20:32 -86.213537 0.000199 LBFGSLineSearch: 13 17:20:34 -86.213537 0.000140 LBFGSLineSearch: 14 17:20:34 -86.213537 0.000121 LBFGSLineSearch: 15 17:20:35 -86.213537 0.000079 LBFGSLineSearch: 16 17:20:35 -86.213537 0.000081 LBFGSLineSearch: 17 17:20:36 -86.213537 0.000067 LBFGSLineSearch: 18 17:20:36 -86.213537 0.000051 LBFGSLineSearch: 19 17:20:36 -86.213537 0.000040 LBFGSLineSearch: 20 17:20:37 -86.213537 0.000036 LBFGSLineSearch: 21 17:20:38 -86.213537 0.000021 LBFGSLineSearch: 22 17:20:40 -86.213537 0.000004 Minimization converged after 22 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:45 -86.727482 0.051395 LBFGSLineSearch: 1 17:20:46 -86.728150 0.019168 LBFGSLineSearch: 2 17:20:46 -86.728212 0.004993 LBFGSLineSearch: 3 17:20:46 -86.728217 0.001491 LBFGSLineSearch: 4 17:20:47 -86.728218 0.001305 LBFGSLineSearch: 5 17:20:47 -86.728218 0.001270 LBFGSLineSearch: 6 17:20:47 -86.728219 0.000997 LBFGSLineSearch: 7 17:20:48 -86.728219 0.000708 LBFGSLineSearch: 8 17:20:48 -86.728219 0.000386 LBFGSLineSearch: 9 17:20:48 -86.728219 0.000311 LBFGSLineSearch: 10 17:20:48 -86.728219 0.000184 LBFGSLineSearch: 11 17:20:48 -86.728219 0.000168 LBFGSLineSearch: 12 17:20:49 -86.728219 0.000192 LBFGSLineSearch: 13 17:20:49 -86.728219 0.000140 LBFGSLineSearch: 14 17:20:49 -86.728219 0.000141 LBFGSLineSearch: 15 17:20:50 -86.728219 0.000090 LBFGSLineSearch: 16 17:20:50 -86.728219 0.000070 LBFGSLineSearch: 17 17:20:50 -86.728219 0.000056 LBFGSLineSearch: 18 17:20:50 -86.728219 0.000043 LBFGSLineSearch: 19 17:20:51 -86.728219 0.000036 LBFGSLineSearch: 20 17:20:51 -86.728219 0.000022 LBFGSLineSearch: 21 17:20:51 -86.728219 0.000005 Minimization converged after 21 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:57 -87.243644 0.051543 LBFGSLineSearch: 1 17:20:58 -87.244322 0.019452 LBFGSLineSearch: 2 17:20:59 -87.244388 0.005057 LBFGSLineSearch: 3 17:21:00 -87.244392 0.001529 LBFGSLineSearch: 4 17:21:00 -87.244393 0.001322 LBFGSLineSearch: 5 17:21:01 -87.244394 0.001277 LBFGSLineSearch: 6 17:21:02 -87.244394 0.001030 LBFGSLineSearch: 7 17:21:05 -87.244394 0.000728 LBFGSLineSearch: 8 17:21:06 -87.244395 0.000389 LBFGSLineSearch: 9 17:21:07 -87.244395 0.000317 LBFGSLineSearch: 10 17:21:07 -87.244395 0.000188 LBFGSLineSearch: 11 17:21:08 -87.244395 0.000166 LBFGSLineSearch: 12 17:21:08 -87.244395 0.000193 LBFGSLineSearch: 13 17:21:09 -87.244395 0.000134 LBFGSLineSearch: 14 17:21:09 -87.244395 0.000151 LBFGSLineSearch: 15 17:21:09 -87.244395 0.000102 LBFGSLineSearch: 16 17:21:10 -87.244395 0.000068 LBFGSLineSearch: 17 17:21:10 -87.244395 0.000064 LBFGSLineSearch: 18 17:21:11 -87.244395 0.000043 LBFGSLineSearch: 19 17:21:11 -87.244395 0.000045 LBFGSLineSearch: 20 17:21:11 -87.244395 0.000025 LBFGSLineSearch: 21 17:21:12 -87.244395 0.000022 LBFGSLineSearch: 22 17:21:12 -87.244395 0.000004 Minimization converged after 22 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:18 -87.761326 0.051694 LBFGSLineSearch: 1 17:21:19 -87.762015 0.019747 LBFGSLineSearch: 2 17:21:19 -87.762083 0.005123 LBFGSLineSearch: 3 17:21:20 -87.762088 0.001568 LBFGSLineSearch: 4 17:21:20 -87.762088 0.001341 LBFGSLineSearch: 5 17:21:21 -87.762089 0.001286 LBFGSLineSearch: 6 17:21:21 -87.762089 0.001065 LBFGSLineSearch: 7 17:21:22 -87.762090 0.000748 LBFGSLineSearch: 8 17:21:23 -87.762090 0.000393 LBFGSLineSearch: 9 17:21:24 -87.762090 0.000320 LBFGSLineSearch: 10 17:21:24 -87.762090 0.000192 LBFGSLineSearch: 11 17:21:25 -87.762090 0.000170 LBFGSLineSearch: 12 17:21:25 -87.762090 0.000203 LBFGSLineSearch: 13 17:21:26 -87.762090 0.000142 LBFGSLineSearch: 14 17:21:26 -87.762090 0.000156 LBFGSLineSearch: 15 17:21:27 -87.762090 0.000077 LBFGSLineSearch: 16 17:21:28 -87.762090 0.000083 LBFGSLineSearch: 17 17:21:29 -87.762090 0.000057 LBFGSLineSearch: 18 17:21:30 -87.762090 0.000045 LBFGSLineSearch: 19 17:21:30 -87.762090 0.000032 LBFGSLineSearch: 20 17:21:31 -87.762090 0.000015 LBFGSLineSearch: 21 17:21:32 -87.762090 0.000004 Minimization converged after 21 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:37 -88.280555 0.051847 LBFGSLineSearch: 1 17:21:38 -88.281256 0.020054 LBFGSLineSearch: 2 17:21:39 -88.281326 0.005191 LBFGSLineSearch: 3 17:21:41 -88.281332 0.001609 LBFGSLineSearch: 4 17:21:42 -88.281332 0.001359 LBFGSLineSearch: 5 17:21:43 -88.281333 0.001295 LBFGSLineSearch: 6 17:21:44 -88.281333 0.001101 LBFGSLineSearch: 7 17:21:45 -88.281334 0.000769 LBFGSLineSearch: 8 17:21:46 -88.281334 0.000398 LBFGSLineSearch: 9 17:21:48 -88.281334 0.000330 LBFGSLineSearch: 10 17:21:49 -88.281334 0.000204 LBFGSLineSearch: 11 17:21:50 -88.281334 0.000173 LBFGSLineSearch: 12 17:21:52 -88.281334 0.000215 LBFGSLineSearch: 13 17:21:53 -88.281334 0.000154 LBFGSLineSearch: 14 17:21:55 -88.281334 0.000162 LBFGSLineSearch: 15 17:21:56 -88.281334 0.000080 LBFGSLineSearch: 16 17:21:57 -88.281334 0.000107 LBFGSLineSearch: 17 17:21:58 -88.281334 0.000077 LBFGSLineSearch: 18 17:21:59 -88.281334 0.000062 LBFGSLineSearch: 19 17:22:00 -88.281334 0.000043 LBFGSLineSearch: 20 17:22:00 -88.281334 0.000029 LBFGSLineSearch: 21 17:22:01 -88.281334 0.000021 LBFGSLineSearch: 22 17:22:01 -88.281334 0.000007 Minimization converged after 22 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:06 -88.801363 0.052003 LBFGSLineSearch: 1 17:22:07 -88.802075 0.020370 LBFGSLineSearch: 2 17:22:07 -88.802149 0.005261 LBFGSLineSearch: 3 17:22:07 -88.802154 0.001650 LBFGSLineSearch: 4 17:22:07 -88.802155 0.001377 LBFGSLineSearch: 5 17:22:08 -88.802155 0.001306 LBFGSLineSearch: 6 17:22:08 -88.802156 0.001140 LBFGSLineSearch: 7 17:22:08 -88.802156 0.000791 LBFGSLineSearch: 8 17:22:09 -88.802157 0.000397 LBFGSLineSearch: 9 17:22:09 -88.802157 0.000332 LBFGSLineSearch: 10 17:22:09 -88.802157 0.000193 LBFGSLineSearch: 11 17:22:09 -88.802157 0.000210 LBFGSLineSearch: 12 17:22:10 -88.802157 0.000135 LBFGSLineSearch: 13 17:22:10 -88.802157 0.000081 LBFGSLineSearch: 14 17:22:10 -88.802157 0.000104 LBFGSLineSearch: 15 17:22:10 -88.802157 0.000070 LBFGSLineSearch: 16 17:22:10 -88.802157 0.000060 LBFGSLineSearch: 17 17:22:10 -88.802157 0.000051 LBFGSLineSearch: 18 17:22:11 -88.802157 0.000044 LBFGSLineSearch: 19 17:22:11 -88.802157 0.000023 LBFGSLineSearch: 20 17:22:11 -88.802157 0.000022 LBFGSLineSearch: 21 17:22:11 -88.802157 0.000003 Minimization converged after 21 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:16 -89.323779 0.052162 LBFGSLineSearch: 1 17:22:17 -89.324504 0.020706 LBFGSLineSearch: 2 17:22:18 -89.324580 0.005336 LBFGSLineSearch: 3 17:22:19 -89.324586 0.001694 LBFGSLineSearch: 4 17:22:20 -89.324587 0.001423 LBFGSLineSearch: 5 17:22:22 -89.324587 0.001318 LBFGSLineSearch: 6 17:22:25 -89.324588 0.001179 LBFGSLineSearch: 7 17:22:26 -89.324588 0.000813 LBFGSLineSearch: 8 17:22:28 -89.324589 0.000396 LBFGSLineSearch: 9 17:22:28 -89.324589 0.000343 LBFGSLineSearch: 10 17:22:29 -89.324589 0.000199 LBFGSLineSearch: 11 17:22:29 -89.324589 0.000218 LBFGSLineSearch: 12 17:22:29 -89.324589 0.000118 LBFGSLineSearch: 13 17:22:29 -89.324589 0.000093 LBFGSLineSearch: 14 17:22:29 -89.324589 0.000112 LBFGSLineSearch: 15 17:22:30 -89.324589 0.000056 LBFGSLineSearch: 16 17:22:30 -89.324589 0.000050 LBFGSLineSearch: 17 17:22:30 -89.324589 0.000025 LBFGSLineSearch: 18 17:22:30 -89.324589 0.000026 LBFGSLineSearch: 19 17:22:31 -89.324589 0.000003 Minimization converged after 19 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:36 -89.847837 0.052325 LBFGSLineSearch: 1 17:22:36 -89.848574 0.021053 LBFGSLineSearch: 2 17:22:37 -89.848654 0.005411 LBFGSLineSearch: 3 17:22:37 -89.848660 0.001741 LBFGSLineSearch: 4 17:22:37 -89.848661 0.001488 LBFGSLineSearch: 5 17:22:38 -89.848662 0.001332 LBFGSLineSearch: 6 17:22:39 -89.848662 0.001221 LBFGSLineSearch: 7 17:22:39 -89.848663 0.000836 LBFGSLineSearch: 8 17:22:40 -89.848663 0.000395 LBFGSLineSearch: 9 17:22:40 -89.848663 0.000353 LBFGSLineSearch: 10 17:22:41 -89.848663 0.000205 LBFGSLineSearch: 11 17:22:41 -89.848663 0.000228 LBFGSLineSearch: 12 17:22:41 -89.848663 0.000133 LBFGSLineSearch: 13 17:22:41 -89.848663 0.000091 LBFGSLineSearch: 14 17:22:42 -89.848663 0.000112 LBFGSLineSearch: 15 17:22:42 -89.848663 0.000067 LBFGSLineSearch: 16 17:22:42 -89.848663 0.000052 LBFGSLineSearch: 17 17:22:43 -89.848663 0.000055 LBFGSLineSearch: 18 17:22:43 -89.848663 0.000040 LBFGSLineSearch: 19 17:22:43 -89.848663 0.000022 LBFGSLineSearch: 20 17:22:44 -89.848663 0.000014 LBFGSLineSearch: 21 17:22:44 -89.848663 0.000002 Minimization converged after 21 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:49 -90.373570 0.052491 LBFGSLineSearch: 1 17:22:49 -90.374321 0.021415 LBFGSLineSearch: 2 17:22:50 -90.374405 0.005490 LBFGSLineSearch: 3 17:22:50 -90.374411 0.001788 LBFGSLineSearch: 4 17:22:50 -90.374411 0.001558 LBFGSLineSearch: 5 17:22:51 -90.374412 0.001375 LBFGSLineSearch: 6 17:22:51 -90.374413 0.001265 LBFGSLineSearch: 7 17:22:51 -90.374414 0.000859 LBFGSLineSearch: 8 17:22:52 -90.374414 0.000402 LBFGSLineSearch: 9 17:22:52 -90.374414 0.000363 LBFGSLineSearch: 10 17:22:52 -90.374414 0.000212 LBFGSLineSearch: 11 17:22:53 -90.374414 0.000238 LBFGSLineSearch: 12 17:22:53 -90.374414 0.000154 LBFGSLineSearch: 13 17:22:53 -90.374414 0.000095 LBFGSLineSearch: 14 17:22:53 -90.374414 0.000109 LBFGSLineSearch: 15 17:22:54 -90.374414 0.000077 LBFGSLineSearch: 16 17:22:54 -90.374414 0.000054 LBFGSLineSearch: 17 17:22:54 -90.374414 0.000025 LBFGSLineSearch: 18 17:22:54 -90.374414 0.000025 LBFGSLineSearch: 19 17:22:55 -90.374414 0.000002 Minimization converged after 19 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:00 -90.901015 0.052660 LBFGSLineSearch: 1 17:23:01 -90.901779 0.021793 LBFGSLineSearch: 2 17:23:02 -90.901867 0.005572 LBFGSLineSearch: 3 17:23:03 -90.901873 0.001840 LBFGSLineSearch: 4 17:23:03 -90.901874 0.001632 LBFGSLineSearch: 5 17:23:04 -90.901875 0.001427 LBFGSLineSearch: 6 17:23:04 -90.901876 0.001311 LBFGSLineSearch: 7 17:23:05 -90.901876 0.000883 LBFGSLineSearch: 8 17:23:06 -90.901877 0.000413 LBFGSLineSearch: 9 17:23:07 -90.901877 0.000369 LBFGSLineSearch: 10 17:23:07 -90.901877 0.000220 LBFGSLineSearch: 11 17:23:08 -90.901877 0.000250 LBFGSLineSearch: 12 17:23:09 -90.901877 0.000178 LBFGSLineSearch: 13 17:23:09 -90.901877 0.000110 LBFGSLineSearch: 14 17:23:10 -90.901877 0.000060 LBFGSLineSearch: 15 17:23:11 -90.901877 0.000031 LBFGSLineSearch: 16 17:23:12 -90.901877 0.000030 LBFGSLineSearch: 17 17:23:13 -90.901877 0.000013 LBFGSLineSearch: 18 17:23:14 -90.901877 0.000002 Minimization converged after 18 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:19 -91.430208 0.052833 LBFGSLineSearch: 1 17:23:20 -91.430987 0.022189 LBFGSLineSearch: 2 17:23:21 -91.431079 0.005656 LBFGSLineSearch: 3 17:23:21 -91.431085 0.001893 LBFGSLineSearch: 4 17:23:21 -91.431086 0.001712 LBFGSLineSearch: 5 17:23:22 -91.431087 0.001487 LBFGSLineSearch: 6 17:23:22 -91.431088 0.001358 LBFGSLineSearch: 7 17:23:23 -91.431089 0.000907 LBFGSLineSearch: 8 17:23:23 -91.431089 0.000424 LBFGSLineSearch: 9 17:23:24 -91.431089 0.000378 LBFGSLineSearch: 10 17:23:24 -91.431089 0.000229 LBFGSLineSearch: 11 17:23:25 -91.431089 0.000264 LBFGSLineSearch: 12 17:23:25 -91.431090 0.000205 LBFGSLineSearch: 13 17:23:26 -91.431090 0.000114 LBFGSLineSearch: 14 17:23:26 -91.431090 0.000063 LBFGSLineSearch: 15 17:23:27 -91.431090 0.000037 LBFGSLineSearch: 16 17:23:27 -91.431090 0.000040 LBFGSLineSearch: 17 17:23:28 -91.431090 0.000025 LBFGSLineSearch: 18 17:23:28 -91.431090 0.000002 Minimization converged after 18 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:33 -91.961190 0.053010 LBFGSLineSearch: 1 17:23:33 -91.961983 0.022603 LBFGSLineSearch: 2 17:23:34 -91.962080 0.005744 LBFGSLineSearch: 3 17:23:34 -91.962087 0.001951 LBFGSLineSearch: 4 17:23:34 -91.962088 0.001799 LBFGSLineSearch: 5 17:23:35 -91.962089 0.001548 LBFGSLineSearch: 6 17:23:35 -91.962089 0.001409 LBFGSLineSearch: 7 17:23:35 -91.962091 0.000932 LBFGSLineSearch: 8 17:23:36 -91.962091 0.000435 LBFGSLineSearch: 9 17:23:36 -91.962091 0.000380 LBFGSLineSearch: 10 17:23:36 -91.962091 0.000247 LBFGSLineSearch: 11 17:23:36 -91.962091 0.000281 LBFGSLineSearch: 12 17:23:37 -91.962091 0.000236 LBFGSLineSearch: 13 17:23:37 -91.962091 0.000118 LBFGSLineSearch: 14 17:23:38 -91.962091 0.000066 LBFGSLineSearch: 15 17:23:38 -91.962091 0.000041 LBFGSLineSearch: 16 17:23:38 -91.962091 0.000033 LBFGSLineSearch: 17 17:23:39 -91.962091 0.000024 LBFGSLineSearch: 18 17:23:39 -91.962091 0.000002 Minimization converged after 18 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:44 -92.494001 0.053191 LBFGSLineSearch: 1 17:23:45 -92.494810 0.023038 LBFGSLineSearch: 2 17:23:46 -92.494912 0.005834 LBFGSLineSearch: 3 17:23:46 -92.494919 0.002062 LBFGSLineSearch: 4 17:23:47 -92.494920 0.001892 LBFGSLineSearch: 5 17:23:47 -92.494921 0.001612 LBFGSLineSearch: 6 17:23:48 -92.494922 0.001465 LBFGSLineSearch: 7 17:23:49 -92.494923 0.000958 LBFGSLineSearch: 8 17:23:50 -92.494923 0.000445 LBFGSLineSearch: 9 17:23:50 -92.494924 0.000385 LBFGSLineSearch: 10 17:23:51 -92.494924 0.000270 LBFGSLineSearch: 11 17:23:52 -92.494924 0.000301 LBFGSLineSearch: 12 17:23:52 -92.494924 0.000267 LBFGSLineSearch: 13 17:23:53 -92.494924 0.000134 LBFGSLineSearch: 14 17:23:53 -92.494924 0.000069 LBFGSLineSearch: 15 17:23:54 -92.494924 0.000054 LBFGSLineSearch: 16 17:23:54 -92.494924 0.000028 LBFGSLineSearch: 17 17:23:55 -92.494924 0.000030 LBFGSLineSearch: 18 17:23:55 -92.494924 0.000001 Minimization converged after 18 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:00 -93.028686 0.053377 LBFGSLineSearch: 1 17:24:01 -93.029511 0.023496 LBFGSLineSearch: 2 17:24:01 -93.029618 0.005929 LBFGSLineSearch: 3 17:24:02 -93.029626 0.002175 LBFGSLineSearch: 4 17:24:02 -93.029627 0.001990 LBFGSLineSearch: 5 17:24:02 -93.029628 0.001684 LBFGSLineSearch: 6 17:24:03 -93.029629 0.001546 LBFGSLineSearch: 7 17:24:03 -93.029630 0.000986 LBFGSLineSearch: 8 17:24:03 -93.029631 0.000456 LBFGSLineSearch: 9 17:24:03 -93.029631 0.000387 LBFGSLineSearch: 10 17:24:04 -93.029631 0.000294 LBFGSLineSearch: 11 17:24:04 -93.029631 0.000343 LBFGSLineSearch: 12 17:24:04 -93.029631 0.000288 LBFGSLineSearch: 13 17:24:05 -93.029631 0.000375 LBFGSLineSearch: 14 17:24:05 -93.029631 0.000142 LBFGSLineSearch: 15 17:24:05 -93.029631 0.000093 LBFGSLineSearch: 16 17:24:06 -93.029631 0.000072 LBFGSLineSearch: 17 17:24:06 -93.029631 0.000049 LBFGSLineSearch: 18 17:24:07 -93.029631 0.000031 LBFGSLineSearch: 19 17:24:07 -93.029631 0.000024 LBFGSLineSearch: 20 17:24:07 -93.029631 0.000001 Minimization converged after 20 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:12 -93.565291 0.053566 LBFGSLineSearch: 1 17:24:14 -93.566133 0.023977 LBFGSLineSearch: 2 17:24:14 -93.566245 0.006252 LBFGSLineSearch: 3 17:24:15 -93.566253 0.002514 LBFGSLineSearch: 4 17:24:16 -93.566255 0.002134 LBFGSLineSearch: 5 17:24:16 -93.566255 0.002478 LBFGSLineSearch: 6 17:24:17 -93.566257 0.001652 LBFGSLineSearch: 7 17:24:18 -93.566258 0.001173 LBFGSLineSearch: 8 17:24:18 -93.566259 0.001028 LBFGSLineSearch: 9 17:24:19 -93.566259 0.000533 LBFGSLineSearch: 10 17:24:20 -93.566259 0.000395 LBFGSLineSearch: 11 17:24:21 -93.566259 0.000391 LBFGSLineSearch: 12 17:24:21 -93.566259 0.000342 LBFGSLineSearch: 13 17:24:22 -93.566259 0.000264 LBFGSLineSearch: 14 17:24:22 -93.566259 0.000328 LBFGSLineSearch: 15 17:24:22 -93.566259 0.000172 LBFGSLineSearch: 16 17:24:23 -93.566259 0.000140 LBFGSLineSearch: 17 17:24:23 -93.566259 0.000130 LBFGSLineSearch: 18 17:24:24 -93.566259 0.000111 LBFGSLineSearch: 19 17:24:24 -93.566259 0.000067 LBFGSLineSearch: 20 17:24:24 -93.566259 0.000026 LBFGSLineSearch: 21 17:24:25 -93.566259 0.000026 LBFGSLineSearch: 22 17:24:25 -93.566259 0.000001 Minimization converged after 22 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:30 -94.103865 0.053761 LBFGSLineSearch: 1 17:24:31 -94.104724 0.024484 LBFGSLineSearch: 2 17:24:31 -94.104843 0.006630 LBFGSLineSearch: 3 17:24:33 -94.104850 0.004407 LBFGSLineSearch: 4 17:24:33 -94.104853 0.002326 LBFGSLineSearch: 5 17:24:34 -94.104854 0.002135 LBFGSLineSearch: 6 17:24:35 -94.104854 0.002668 LBFGSLineSearch: 7 17:24:36 -94.104856 0.001787 LBFGSLineSearch: 8 17:24:37 -94.104857 0.001041 LBFGSLineSearch: 9 17:24:37 -94.104858 0.000476 LBFGSLineSearch: 10 17:24:38 -94.104858 0.000415 LBFGSLineSearch: 11 17:24:38 -94.104858 0.000384 LBFGSLineSearch: 12 17:24:39 -94.104858 0.000379 LBFGSLineSearch: 13 17:24:40 -94.104858 0.000316 LBFGSLineSearch: 14 17:24:40 -94.104858 0.000343 LBFGSLineSearch: 15 17:24:41 -94.104858 0.000290 LBFGSLineSearch: 16 17:24:42 -94.104858 0.000207 LBFGSLineSearch: 17 17:24:42 -94.104858 0.000159 LBFGSLineSearch: 18 17:24:43 -94.104858 0.000182 LBFGSLineSearch: 19 17:24:44 -94.104858 0.000085 LBFGSLineSearch: 20 17:24:45 -94.104858 0.000064 LBFGSLineSearch: 21 17:24:45 -94.104858 0.000025 LBFGSLineSearch: 22 17:24:46 -94.104858 0.000027 LBFGSLineSearch: 23 17:24:46 -94.104858 0.000002 Minimization converged after 23 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:52 -94.644460 0.053961 LBFGSLineSearch: 1 17:24:52 -94.645338 0.025020 LBFGSLineSearch: 2 17:24:53 -94.645464 0.007031 LBFGSLineSearch: 3 17:24:54 -94.645470 0.006055 LBFGSLineSearch: 4 17:24:55 -94.645474 0.002329 LBFGSLineSearch: 5 17:24:56 -94.645477 0.001831 LBFGSLineSearch: 6 17:24:56 -94.645478 0.002033 LBFGSLineSearch: 7 17:24:57 -94.645479 0.001398 LBFGSLineSearch: 8 17:24:57 -94.645479 0.001097 LBFGSLineSearch: 9 17:24:58 -94.645479 0.001257 LBFGSLineSearch: 10 17:24:58 -94.645480 0.000462 LBFGSLineSearch: 11 17:24:58 -94.645480 0.000579 LBFGSLineSearch: 12 17:24:59 -94.645480 0.000457 LBFGSLineSearch: 13 17:25:00 -94.645480 0.000411 LBFGSLineSearch: 14 17:25:00 -94.645480 0.000601 LBFGSLineSearch: 15 17:25:01 -94.645480 0.000353 LBFGSLineSearch: 16 17:25:02 -94.645480 0.000192 LBFGSLineSearch: 17 17:25:02 -94.645480 0.000186 LBFGSLineSearch: 18 17:25:03 -94.645480 0.000095 LBFGSLineSearch: 19 17:25:03 -94.645480 0.000059 LBFGSLineSearch: 20 17:25:04 -94.645480 0.000036 LBFGSLineSearch: 21 17:25:04 -94.645480 0.000027 LBFGSLineSearch: 22 17:25:05 -94.645480 0.000002 Minimization converged after 22 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:10 -95.187132 0.054166 LBFGSLineSearch: 1 17:25:11 -95.188030 0.025588 LBFGSLineSearch: 2 17:25:12 -95.188163 0.007459 LBFGSLineSearch: 3 17:25:12 -95.188168 0.006904 LBFGSLineSearch: 4 17:25:13 -95.188175 0.002475 LBFGSLineSearch: 5 17:25:13 -95.188177 0.001932 LBFGSLineSearch: 6 17:25:14 -95.188178 0.002354 LBFGSLineSearch: 7 17:25:15 -95.188180 0.001289 LBFGSLineSearch: 8 17:25:15 -95.188180 0.001082 LBFGSLineSearch: 9 17:25:16 -95.188181 0.000656 LBFGSLineSearch: 10 17:25:17 -95.188181 0.000484 LBFGSLineSearch: 11 17:25:17 -95.188181 0.000599 LBFGSLineSearch: 12 17:25:18 -95.188181 0.000679 LBFGSLineSearch: 13 17:25:19 -95.188181 0.000539 LBFGSLineSearch: 14 17:25:21 -95.188181 0.000437 LBFGSLineSearch: 15 17:25:21 -95.188182 0.000288 LBFGSLineSearch: 16 17:25:22 -95.188182 0.000277 LBFGSLineSearch: 17 17:25:23 -95.188182 0.000150 LBFGSLineSearch: 18 17:25:23 -95.188182 0.000118 LBFGSLineSearch: 19 17:25:24 -95.188182 0.000037 LBFGSLineSearch: 20 17:25:25 -95.188182 0.000049 LBFGSLineSearch: 21 17:25:25 -95.188182 0.000037 LBFGSLineSearch: 22 17:25:26 -95.188182 0.000002 Minimization converged after 22 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:31 -95.731942 0.054377 LBFGSLineSearch: 1 17:25:31 -95.732860 0.026191 LBFGSLineSearch: 2 17:25:32 -95.733001 0.007915 LBFGSLineSearch: 3 17:25:33 -95.733007 0.007354 LBFGSLineSearch: 4 17:25:33 -95.733014 0.002632 LBFGSLineSearch: 5 17:25:34 -95.733017 0.002040 LBFGSLineSearch: 6 17:25:35 -95.733018 0.002739 LBFGSLineSearch: 7 17:25:35 -95.733020 0.001344 LBFGSLineSearch: 8 17:25:36 -95.733021 0.000764 LBFGSLineSearch: 9 17:25:37 -95.733021 0.000593 LBFGSLineSearch: 10 17:25:37 -95.733021 0.000988 LBFGSLineSearch: 11 17:25:38 -95.733022 0.000774 LBFGSLineSearch: 12 17:25:39 -95.733022 0.000716 LBFGSLineSearch: 13 17:25:39 -95.733022 0.001032 LBFGSLineSearch: 14 17:25:40 -95.733022 0.000524 LBFGSLineSearch: 15 17:25:41 -95.733022 0.000448 LBFGSLineSearch: 16 17:25:41 -95.733022 0.000299 LBFGSLineSearch: 17 17:25:41 -95.733022 0.000412 LBFGSLineSearch: 18 17:25:41 -95.733022 0.000400 LBFGSLineSearch: 19 17:25:42 -95.733022 0.000153 LBFGSLineSearch: 20 17:25:42 -95.733022 0.000082 LBFGSLineSearch: 21 17:25:43 -95.733022 0.000056 LBFGSLineSearch: 22 17:25:43 -95.733022 0.000064 LBFGSLineSearch: 23 17:25:44 -95.733022 0.000043 LBFGSLineSearch: 24 17:25:45 -95.733022 0.000005 Minimization converged after 24 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:50 -96.278955 0.054596 LBFGSLineSearch: 1 17:25:52 -96.279895 0.026838 LBFGSLineSearch: 2 17:25:52 -96.280045 0.008401 LBFGSLineSearch: 3 17:25:53 -96.280050 0.007619 LBFGSLineSearch: 4 17:25:54 -96.280059 0.002802 LBFGSLineSearch: 5 17:25:54 -96.280062 0.002156 LBFGSLineSearch: 6 17:25:55 -96.280063 0.002802 LBFGSLineSearch: 7 17:25:55 -96.280066 0.001530 LBFGSLineSearch: 8 17:25:56 -96.280067 0.000821 LBFGSLineSearch: 9 17:25:57 -96.280068 0.001694 LBFGSLineSearch: 10 17:25:58 -96.280069 0.001487 LBFGSLineSearch: 11 17:25:59 -96.280098 0.007971 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 11 steps. Final forces: [[ 2.10578249e-03 1.27670568e-20 -4.17867834e-03] [-2.10578249e-03 -1.27670568e-20 4.17867834e-03] [-5.80379629e-03 -1.75829959e-20 5.43512693e-03] [ 5.80379629e-03 1.75829959e-20 -5.43512693e-03] [ 1.92924362e-04 1.35211880e-20 -4.64989217e-03] [-1.92924362e-04 -1.35211880e-20 4.64989217e-03] [-3.97008692e-04 2.64948848e-21 -9.59041363e-04] [ 3.97008692e-04 -2.64948848e-21 9.59041363e-04] [-2.38746080e-03 -2.04647880e-20 6.80697555e-03] [ 2.38746080e-03 2.04647880e-20 -6.80697555e-03]] Final stress: [ 1.21815661e-01 1.21483465e-01 1.21588863e-01 3.96664809e-21 1.67580624e-04 -3.33709256e-20] Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:04 -96.828314 0.058791 LBFGSLineSearch: 1 17:26:05 -96.829214 0.033889 LBFGSLineSearch: 2 17:26:07 -96.829484 0.012846 LBFGSLineSearch: 3 17:26:08 -96.829522 0.014124 LBFGSLineSearch: 4 17:26:08 -96.829584 0.020944 LBFGSLineSearch: 5 17:26:10 -97.212212 0.914283 LBFGSLineSearch: 6 17:26:11 -97.212219 0.917300 LBFGSLineSearch: 7 17:26:11 -97.282812 0.662197 LBFGSLineSearch: 8 17:26:12 -97.345567 0.330636 LBFGSLineSearch: 9 17:26:13 -97.368614 0.225497 LBFGSLineSearch: 10 17:26:13 -97.375465 0.220542 LBFGSLineSearch: 11 17:26:14 -97.381478 0.127500 LBFGSLineSearch: 12 17:26:14 -97.387736 0.107337 LBFGSLineSearch: 13 17:26:15 -97.392000 0.070802 LBFGSLineSearch: 14 17:26:15 -97.393156 0.074220 LBFGSLineSearch: 15 17:26:16 -97.395509 0.047786 LBFGSLineSearch: 16 17:26:16 -97.395977 0.041870 LBFGSLineSearch: 17 17:26:16 -97.396250 0.045935 LBFGSLineSearch: 18 17:26:17 -97.396663 0.015303 LBFGSLineSearch: 19 17:26:18 -97.396689 0.012687 LBFGSLineSearch: 20 17:26:19 -97.396759 0.007886 LBFGSLineSearch: 21 17:26:19 -97.396773 0.007236 LBFGSLineSearch: 22 17:26:20 -97.396796 0.004678 LBFGSLineSearch: 23 17:26:20 -97.396800 0.004245 LBFGSLineSearch: 24 17:26:21 -97.396810 0.001910 LBFGSLineSearch: 25 17:26:22 -97.396811 0.002348 LBFGSLineSearch: 26 17:26:22 -97.396813 0.002693 LBFGSLineSearch: 27 17:26:23 -97.396815 0.001240 LBFGSLineSearch: 28 17:26:23 -97.396815 0.000923 LBFGSLineSearch: 29 17:26:24 -97.396815 0.000754 LBFGSLineSearch: 30 17:26:25 -97.396816 0.000273 LBFGSLineSearch: 31 17:26:26 -97.396816 0.000142 LBFGSLineSearch: 32 17:26:26 -97.396816 0.000062 LBFGSLineSearch: 33 17:26:27 -97.396816 0.000046 LBFGSLineSearch: 34 17:26:28 -97.396816 0.000008 Minimization converged after 34 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:32 -97.947882 0.055111 LBFGSLineSearch: 1 17:26:34 -97.948875 0.030711 LBFGSLineSearch: 2 17:26:35 -97.949076 0.009304 LBFGSLineSearch: 3 17:26:35 -97.949084 0.005849 LBFGSLineSearch: 4 17:26:36 -97.949091 0.005826 LBFGSLineSearch: 5 17:26:36 -97.949097 0.004118 LBFGSLineSearch: 6 17:26:37 -97.949102 0.002099 LBFGSLineSearch: 7 17:26:38 -97.949105 0.001818 LBFGSLineSearch: 8 17:26:38 -97.949106 0.001447 LBFGSLineSearch: 9 17:26:39 -97.949106 0.001116 LBFGSLineSearch: 10 17:26:39 -97.949106 0.000513 LBFGSLineSearch: 11 17:26:40 -97.949107 0.000200 LBFGSLineSearch: 12 17:26:40 -97.949107 0.000151 LBFGSLineSearch: 13 17:26:41 -97.949107 0.000134 LBFGSLineSearch: 14 17:26:41 -97.949107 0.000058 LBFGSLineSearch: 15 17:26:42 -97.949107 0.000071 LBFGSLineSearch: 16 17:26:42 -97.949107 0.000032 LBFGSLineSearch: 17 17:26:43 -97.949107 0.000037 LBFGSLineSearch: 18 17:26:43 -97.949107 0.000021 LBFGSLineSearch: 19 17:26:44 -97.949107 0.000004 Minimization converged after 19 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:48 -98.502635 0.055355 LBFGSLineSearch: 1 17:26:49 -98.503652 0.031023 LBFGSLineSearch: 2 17:26:50 -98.503859 0.009088 LBFGSLineSearch: 3 17:26:50 -98.503867 0.005597 LBFGSLineSearch: 4 17:26:51 -98.503874 0.005631 LBFGSLineSearch: 5 17:26:51 -98.503880 0.003925 LBFGSLineSearch: 6 17:26:52 -98.503884 0.002006 LBFGSLineSearch: 7 17:26:53 -98.503886 0.001499 LBFGSLineSearch: 8 17:26:53 -98.503886 0.001214 LBFGSLineSearch: 9 17:26:54 -98.503887 0.001239 LBFGSLineSearch: 10 17:26:55 -98.503887 0.000691 LBFGSLineSearch: 11 17:26:55 -98.503887 0.000391 LBFGSLineSearch: 12 17:26:56 -98.503887 0.000135 LBFGSLineSearch: 13 17:26:56 -98.503887 0.000093 LBFGSLineSearch: 14 17:26:57 -98.503887 0.000075 LBFGSLineSearch: 15 17:26:57 -98.503887 0.000076 LBFGSLineSearch: 16 17:26:58 -98.503887 0.000057 LBFGSLineSearch: 17 17:26:58 -98.503887 0.000038 LBFGSLineSearch: 18 17:26:59 -98.503887 0.000040 LBFGSLineSearch: 19 17:26:59 -98.503887 0.000034 LBFGSLineSearch: 20 17:27:00 -98.503887 0.000012 LBFGSLineSearch: 21 17:27:00 -98.503887 0.000006 Minimization converged after 21 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:05 -99.059922 0.055607 LBFGSLineSearch: 1 17:27:06 -99.060955 0.029808 LBFGSLineSearch: 2 17:27:07 -99.061152 0.007688 LBFGSLineSearch: 3 17:27:07 -99.061159 0.004644 LBFGSLineSearch: 4 17:27:09 -99.061165 0.005536 LBFGSLineSearch: 5 17:27:10 -99.061171 0.003573 LBFGSLineSearch: 6 17:27:10 -99.061173 0.002213 LBFGSLineSearch: 7 17:27:11 -99.061174 0.002107 LBFGSLineSearch: 8 17:27:11 -99.061175 0.002126 LBFGSLineSearch: 9 17:27:11 -99.061177 0.001439 LBFGSLineSearch: 10 17:27:12 -99.061177 0.000946 LBFGSLineSearch: 11 17:27:13 -99.061177 0.000440 LBFGSLineSearch: 12 17:27:14 -99.061177 0.000197 LBFGSLineSearch: 13 17:27:14 -99.061177 0.000249 LBFGSLineSearch: 14 17:27:15 -99.061177 0.000117 LBFGSLineSearch: 15 17:27:16 -99.061177 0.000059 LBFGSLineSearch: 16 17:27:16 -99.061177 0.000053 LBFGSLineSearch: 17 17:27:17 -99.061177 0.000019 LBFGSLineSearch: 18 17:27:17 -99.061177 0.000021 LBFGSLineSearch: 19 17:27:18 -99.061177 0.000010 Minimization converged after 19 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:23 -99.619724 0.055858 LBFGSLineSearch: 1 17:27:23 -99.620769 0.030033 LBFGSLineSearch: 2 17:27:23 -99.620954 0.007509 LBFGSLineSearch: 3 17:27:23 -99.620960 0.006137 LBFGSLineSearch: 4 17:27:24 -99.620968 0.006538 LBFGSLineSearch: 5 17:27:24 -99.620977 0.003531 LBFGSLineSearch: 6 17:27:24 -99.620981 0.002748 LBFGSLineSearch: 7 17:27:25 -99.620984 0.001992 LBFGSLineSearch: 8 17:27:25 -99.620985 0.001629 LBFGSLineSearch: 9 17:27:25 -99.620985 0.001306 LBFGSLineSearch: 10 17:27:25 -99.620986 0.000591 LBFGSLineSearch: 11 17:27:25 -99.620986 0.000302 LBFGSLineSearch: 12 17:27:26 -99.620986 0.000268 LBFGSLineSearch: 13 17:27:26 -99.620986 0.000275 LBFGSLineSearch: 14 17:27:26 -99.620986 0.000265 LBFGSLineSearch: 15 17:27:26 -99.620986 0.000115 LBFGSLineSearch: 16 17:27:26 -99.620986 0.000131 LBFGSLineSearch: 17 17:27:27 -99.620986 0.000067 LBFGSLineSearch: 18 17:27:27 -99.620986 0.000058 LBFGSLineSearch: 19 17:27:27 -99.620986 0.000030 LBFGSLineSearch: 20 17:27:28 -99.620986 0.000042 LBFGSLineSearch: 21 17:27:29 -99.620986 0.000014 LBFGSLineSearch: 22 17:27:29 -99.620986 0.000016 LBFGSLineSearch: 23 17:27:30 -99.620986 0.000001 Minimization converged after 23 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:34 -100.182062 0.056108 LBFGSLineSearch: 1 17:27:35 -100.183120 0.030223 LBFGSLineSearch: 2 17:27:35 -100.183296 0.009503 LBFGSLineSearch: 3 17:27:36 -100.183304 0.008135 LBFGSLineSearch: 4 17:27:36 -100.183316 0.008250 LBFGSLineSearch: 5 17:27:36 -100.183329 0.003883 LBFGSLineSearch: 6 17:27:36 -100.183335 0.003076 LBFGSLineSearch: 7 17:27:37 -100.183338 0.002554 LBFGSLineSearch: 8 17:27:37 -100.183340 0.001539 LBFGSLineSearch: 9 17:27:37 -100.183341 0.001524 LBFGSLineSearch: 10 17:27:38 -100.183341 0.001351 LBFGSLineSearch: 11 17:27:38 -100.183342 0.000540 LBFGSLineSearch: 12 17:27:39 -100.183342 0.000338 LBFGSLineSearch: 13 17:27:39 -100.183342 0.000298 LBFGSLineSearch: 14 17:27:40 -100.183342 0.000343 LBFGSLineSearch: 15 17:27:41 -100.183342 0.000325 LBFGSLineSearch: 16 17:27:42 -100.183342 0.000128 LBFGSLineSearch: 17 17:27:43 -100.183342 0.000107 LBFGSLineSearch: 18 17:27:43 -100.183342 0.000082 LBFGSLineSearch: 19 17:27:44 -100.183342 0.000094 LBFGSLineSearch: 20 17:27:44 -100.183342 0.000067 LBFGSLineSearch: 21 17:27:45 -100.183342 0.000038 LBFGSLineSearch: 22 17:27:45 -100.183342 0.000036 LBFGSLineSearch: 23 17:27:46 -100.183342 0.000017 LBFGSLineSearch: 24 17:27:46 -100.183342 0.000015 LBFGSLineSearch: 25 17:27:47 -100.183342 0.000004 Minimization converged after 25 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:52 -100.746986 0.056369 LBFGSLineSearch: 1 17:27:53 -100.748057 0.030441 LBFGSLineSearch: 2 17:27:53 -100.748231 0.011237 LBFGSLineSearch: 3 17:27:54 -100.748242 0.009648 LBFGSLineSearch: 4 17:27:55 -100.748258 0.010120 LBFGSLineSearch: 5 17:27:55 -100.748275 0.004459 LBFGSLineSearch: 6 17:27:56 -100.748287 0.003161 LBFGSLineSearch: 7 17:27:56 -100.748289 0.002742 LBFGSLineSearch: 8 17:27:57 -100.748291 0.001688 LBFGSLineSearch: 9 17:27:58 -100.748293 0.000785 LBFGSLineSearch: 10 17:27:58 -100.748293 0.000587 LBFGSLineSearch: 11 17:27:58 -100.748293 0.000305 LBFGSLineSearch: 12 17:27:59 -100.748293 0.000429 LBFGSLineSearch: 13 17:28:00 -100.748293 0.000382 LBFGSLineSearch: 14 17:28:01 -100.748293 0.000155 LBFGSLineSearch: 15 17:28:02 -100.748293 0.000115 LBFGSLineSearch: 16 17:28:02 -100.748293 0.000048 LBFGSLineSearch: 17 17:28:03 -100.748293 0.000049 LBFGSLineSearch: 18 17:28:04 -100.748293 0.000026 LBFGSLineSearch: 19 17:28:04 -100.748293 0.000023 LBFGSLineSearch: 20 17:28:05 -100.748293 0.000006 Minimization converged after 20 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:10 -101.314563 0.056633 LBFGSLineSearch: 1 17:28:12 -101.315650 0.030727 LBFGSLineSearch: 2 17:28:14 -101.315827 0.012659 LBFGSLineSearch: 3 17:28:15 -101.315842 0.010753 LBFGSLineSearch: 4 17:28:16 -101.315861 0.011858 LBFGSLineSearch: 5 17:28:18 -101.315883 0.004964 LBFGSLineSearch: 6 17:28:19 -101.315899 0.003396 LBFGSLineSearch: 7 17:28:20 -101.315900 0.002417 LBFGSLineSearch: 8 17:28:20 -101.315902 0.002194 LBFGSLineSearch: 9 17:28:21 -101.315904 0.001585 LBFGSLineSearch: 10 17:28:22 -101.315905 0.000703 LBFGSLineSearch: 11 17:28:22 -101.315905 0.000639 LBFGSLineSearch: 12 17:28:23 -101.315905 0.000628 LBFGSLineSearch: 13 17:28:23 -101.315906 0.000385 LBFGSLineSearch: 14 17:28:24 -101.315906 0.000178 LBFGSLineSearch: 15 17:28:25 -101.315906 0.000163 LBFGSLineSearch: 16 17:28:26 -101.315906 0.000164 LBFGSLineSearch: 17 17:28:26 -101.315906 0.000108 LBFGSLineSearch: 18 17:28:26 -101.315906 0.000106 LBFGSLineSearch: 19 17:28:27 -101.315906 0.000046 LBFGSLineSearch: 20 17:28:27 -101.315906 0.000046 LBFGSLineSearch: 21 17:28:28 -101.315906 0.000026 LBFGSLineSearch: 22 17:28:29 -101.315906 0.000026 LBFGSLineSearch: 23 17:28:29 -101.315906 0.000017 LBFGSLineSearch: 24 17:28:30 -101.315906 0.000006 Minimization converged after 24 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:35 -101.884875 0.056902 LBFGSLineSearch: 1 17:28:36 -101.885984 0.031118 LBFGSLineSearch: 2 17:28:36 -101.886167 0.013795 LBFGSLineSearch: 3 17:28:37 -101.886186 0.011564 LBFGSLineSearch: 4 17:28:38 -101.886208 0.013365 LBFGSLineSearch: 5 17:28:39 -101.886234 0.005444 LBFGSLineSearch: 6 17:28:39 -101.886255 0.003435 LBFGSLineSearch: 7 17:28:40 -101.886256 0.002638 LBFGSLineSearch: 8 17:28:40 -101.886258 0.002316 LBFGSLineSearch: 9 17:28:41 -101.886262 0.001285 LBFGSLineSearch: 10 17:28:41 -101.886262 0.000707 LBFGSLineSearch: 11 17:28:41 -101.886262 0.000748 LBFGSLineSearch: 12 17:28:42 -101.886263 0.000810 LBFGSLineSearch: 13 17:28:42 -101.886263 0.000479 LBFGSLineSearch: 14 17:28:42 -101.886263 0.000205 LBFGSLineSearch: 15 17:28:43 -101.886263 0.000184 LBFGSLineSearch: 16 17:28:43 -101.886263 0.000171 LBFGSLineSearch: 17 17:28:44 -101.886263 0.000071 LBFGSLineSearch: 18 17:28:44 -101.886263 0.000065 LBFGSLineSearch: 19 17:28:45 -101.886263 0.000122 LBFGSLineSearch: 20 17:28:45 -101.886263 0.000028 LBFGSLineSearch: 21 17:28:46 -101.886263 0.000032 LBFGSLineSearch: 22 17:28:47 -101.886263 0.000007 Minimization converged after 22 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:53 -102.458024 0.057182 LBFGSLineSearch: 1 17:28:54 -102.459159 0.031666 LBFGSLineSearch: 2 17:28:54 -102.459352 0.014631 LBFGSLineSearch: 3 17:28:55 -102.459375 0.012173 LBFGSLineSearch: 4 17:28:55 -102.459400 0.014562 LBFGSLineSearch: 5 17:28:56 -102.459431 0.005933 LBFGSLineSearch: 6 17:28:57 -102.459455 0.003232 LBFGSLineSearch: 7 17:28:57 -102.459457 0.002917 LBFGSLineSearch: 8 17:28:58 -102.459459 0.002502 LBFGSLineSearch: 9 17:28:59 -102.459464 0.001836 LBFGSLineSearch: 10 17:29:00 -102.459464 0.000793 LBFGSLineSearch: 11 17:29:01 -102.459465 0.000853 LBFGSLineSearch: 12 17:29:01 -102.459465 0.000910 LBFGSLineSearch: 13 17:29:02 -102.459465 0.000501 LBFGSLineSearch: 14 17:29:03 -102.459465 0.000236 LBFGSLineSearch: 15 17:29:03 -102.459465 0.000199 LBFGSLineSearch: 16 17:29:04 -102.459465 0.000168 LBFGSLineSearch: 17 17:29:05 -102.459465 0.000076 LBFGSLineSearch: 18 17:29:05 -102.459465 0.000060 LBFGSLineSearch: 19 17:29:06 -102.459465 0.000120 LBFGSLineSearch: 20 17:29:06 -102.459465 0.000078 LBFGSLineSearch: 21 17:29:07 -102.459465 0.000029 LBFGSLineSearch: 22 17:29:07 -102.459465 0.000031 LBFGSLineSearch: 23 17:29:08 -102.459465 0.000007 Minimization converged after 23 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:13 -103.034129 0.057472 LBFGSLineSearch: 1 17:29:14 -103.035298 0.032454 LBFGSLineSearch: 2 17:29:14 -103.035506 0.014974 LBFGSLineSearch: 3 17:29:15 -103.035531 0.012451 LBFGSLineSearch: 4 17:29:15 -103.035558 0.015147 LBFGSLineSearch: 5 17:29:16 -103.035595 0.006456 LBFGSLineSearch: 6 17:29:17 -103.035618 0.004819 LBFGSLineSearch: 7 17:29:17 -103.035622 0.003968 LBFGSLineSearch: 8 17:29:18 -103.035625 0.003500 LBFGSLineSearch: 9 17:29:19 -103.035631 0.002399 LBFGSLineSearch: 10 17:29:19 -103.035634 0.000929 LBFGSLineSearch: 11 17:29:20 -103.035634 0.000986 LBFGSLineSearch: 12 17:29:20 -103.035634 0.000677 LBFGSLineSearch: 13 17:29:21 -103.035634 0.000279 LBFGSLineSearch: 14 17:29:22 -103.035634 0.000260 LBFGSLineSearch: 15 17:29:23 -103.035634 0.000344 LBFGSLineSearch: 16 17:29:23 -103.035634 0.000156 LBFGSLineSearch: 17 17:29:24 -103.035635 0.000074 LBFGSLineSearch: 18 17:29:25 -103.035635 0.000069 LBFGSLineSearch: 19 17:29:26 -103.035635 0.000052 LBFGSLineSearch: 20 17:29:26 -103.035635 0.000038 LBFGSLineSearch: 21 17:29:27 -103.035635 0.000038 LBFGSLineSearch: 22 17:29:27 -103.035635 0.000026 LBFGSLineSearch: 23 17:29:28 -103.035635 0.000016 LBFGSLineSearch: 24 17:29:28 -103.035635 0.000008 Minimization converged after 24 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:33 -103.613335 0.057778 LBFGSLineSearch: 1 17:29:34 -103.614554 0.033662 LBFGSLineSearch: 2 17:29:34 -103.614786 0.013791 LBFGSLineSearch: 3 17:29:34 -103.614811 0.010967 LBFGSLineSearch: 4 17:29:34 -103.614834 0.013333 LBFGSLineSearch: 5 17:29:34 -103.614873 0.007521 LBFGSLineSearch: 6 17:29:35 -103.614888 0.004873 LBFGSLineSearch: 7 17:29:35 -103.614892 0.005029 LBFGSLineSearch: 8 17:29:35 -103.614897 0.006090 LBFGSLineSearch: 9 17:29:35 -103.614909 0.003488 LBFGSLineSearch: 10 17:29:36 -103.614912 0.002109 LBFGSLineSearch: 11 17:29:36 -103.614912 0.001407 LBFGSLineSearch: 12 17:29:36 -103.614913 0.001462 LBFGSLineSearch: 13 17:29:37 -103.614913 0.000431 LBFGSLineSearch: 14 17:29:37 -103.614913 0.000266 LBFGSLineSearch: 15 17:29:37 -103.614913 0.000316 LBFGSLineSearch: 16 17:29:37 -103.614913 0.000304 LBFGSLineSearch: 17 17:29:38 -103.614913 0.000147 LBFGSLineSearch: 18 17:29:38 -103.614913 0.000056 LBFGSLineSearch: 19 17:29:38 -103.614913 0.000058 LBFGSLineSearch: 20 17:29:38 -103.614913 0.000041 LBFGSLineSearch: 21 17:29:39 -103.614913 0.000024 LBFGSLineSearch: 22 17:29:39 -103.614913 0.000002 Minimization converged after 22 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:45 -104.195783 0.058088 LBFGSLineSearch: 1 17:29:45 -104.197060 0.035061 LBFGSLineSearch: 2 17:29:46 -104.197356 0.018507 LBFGSLineSearch: 3 17:29:47 -104.197420 0.013866 LBFGSLineSearch: 4 17:29:48 -104.199409 0.112806 LBFGSLineSearch: 5 17:29:48 -104.199443 0.113510 LBFGSLineSearch: 6 17:29:49 -104.204797 0.091823 LBFGSLineSearch: 7 17:29:50 -104.206194 0.093018 LBFGSLineSearch: 8 17:29:51 -104.208278 0.053179 LBFGSLineSearch: 9 17:29:52 -104.208837 0.045171 LBFGSLineSearch: 10 17:29:52 -104.210587 0.036630 LBFGSLineSearch: 11 17:29:53 -104.210753 0.039741 LBFGSLineSearch: 12 17:29:54 -104.210923 0.024718 LBFGSLineSearch: 13 17:29:54 -104.211092 0.013374 LBFGSLineSearch: 14 17:29:55 -104.211165 0.010706 LBFGSLineSearch: 15 17:29:56 -104.211186 0.009492 LBFGSLineSearch: 16 17:29:56 -104.211197 0.008733 LBFGSLineSearch: 17 17:29:57 -104.211214 0.007486 LBFGSLineSearch: 18 17:29:57 -104.211237 0.003854 LBFGSLineSearch: 19 17:29:58 -104.211245 0.001227 LBFGSLineSearch: 20 17:29:58 -104.211245 0.000885 LBFGSLineSearch: 21 17:29:59 -104.211245 0.000857 LBFGSLineSearch: 22 17:29:59 -104.211246 0.000596 LBFGSLineSearch: 23 17:30:00 -104.211246 0.000493 LBFGSLineSearch: 24 17:30:00 -104.211246 0.000725 LBFGSLineSearch: 25 17:30:01 -104.211247 0.000127 LBFGSLineSearch: 26 17:30:02 -104.211247 0.000034 LBFGSLineSearch: 27 17:30:02 -104.211247 0.000008 Minimization converged after 27 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:07 -104.801109 0.058989 LBFGSLineSearch: 1 17:30:09 -104.802531 0.044869 LBFGSLineSearch: 2 17:30:10 -104.802971 0.019020 LBFGSLineSearch: 3 17:30:10 -104.803036 0.013314 LBFGSLineSearch: 4 17:30:11 -104.803082 0.012402 LBFGSLineSearch: 5 17:30:12 -104.803133 0.009972 LBFGSLineSearch: 6 17:30:12 -104.803156 0.011040 LBFGSLineSearch: 7 17:30:13 -104.803175 0.014318 LBFGSLineSearch: 8 17:30:14 -104.803200 0.005734 LBFGSLineSearch: 9 17:30:15 -104.803206 0.003887 LBFGSLineSearch: 10 17:30:15 -104.803218 0.004558 LBFGSLineSearch: 11 17:30:16 -104.803219 0.002920 LBFGSLineSearch: 12 17:30:17 -104.803222 0.000918 LBFGSLineSearch: 13 17:30:17 -104.803222 0.000788 LBFGSLineSearch: 14 17:30:18 -104.803222 0.000632 LBFGSLineSearch: 15 17:30:18 -104.803222 0.000559 LBFGSLineSearch: 16 17:30:19 -104.803222 0.000380 LBFGSLineSearch: 17 17:30:19 -104.803223 0.000145 LBFGSLineSearch: 18 17:30:20 -104.803223 0.000137 LBFGSLineSearch: 19 17:30:20 -104.803223 0.000144 LBFGSLineSearch: 20 17:30:20 -104.803223 0.000060 LBFGSLineSearch: 21 17:30:21 -104.803223 0.000033 LBFGSLineSearch: 22 17:30:21 -104.803223 0.000019 LBFGSLineSearch: 23 17:30:21 -104.803223 0.000011 LBFGSLineSearch: 24 17:30:22 -104.803223 0.000006 Minimization converged after 24 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:27 -105.397285 0.059408 LBFGSLineSearch: 1 17:30:28 -105.398646 0.043109 LBFGSLineSearch: 2 17:30:28 -105.398994 0.016195 LBFGSLineSearch: 3 17:30:29 -105.399058 0.015183 LBFGSLineSearch: 4 17:30:29 -105.399120 0.017777 LBFGSLineSearch: 5 17:30:30 -105.399212 0.013298 LBFGSLineSearch: 6 17:30:31 -105.399236 0.010398 LBFGSLineSearch: 7 17:30:31 -105.399278 0.005469 LBFGSLineSearch: 8 17:30:32 -105.399286 0.008632 LBFGSLineSearch: 9 17:30:32 -105.399304 0.003913 LBFGSLineSearch: 10 17:30:33 -105.399311 0.001358 LBFGSLineSearch: 11 17:30:34 -105.399312 0.001134 LBFGSLineSearch: 12 17:30:34 -105.399312 0.000778 LBFGSLineSearch: 13 17:30:35 -105.399313 0.000470 LBFGSLineSearch: 14 17:30:36 -105.399313 0.000426 LBFGSLineSearch: 15 17:30:37 -105.399313 0.000348 LBFGSLineSearch: 16 17:30:38 -105.399313 0.000228 LBFGSLineSearch: 17 17:30:39 -105.399313 0.000180 LBFGSLineSearch: 18 17:30:39 -105.399313 0.000136 LBFGSLineSearch: 19 17:30:40 -105.399313 0.000114 LBFGSLineSearch: 20 17:30:40 -105.399313 0.000091 LBFGSLineSearch: 21 17:30:41 -105.399313 0.000081 LBFGSLineSearch: 22 17:30:41 -105.399313 0.000054 LBFGSLineSearch: 23 17:30:42 -105.399313 0.000044 LBFGSLineSearch: 24 17:30:42 -105.399313 0.000043 LBFGSLineSearch: 25 17:30:43 -105.399313 0.000022 LBFGSLineSearch: 26 17:30:43 -105.399313 0.000012 LBFGSLineSearch: 27 17:30:44 -105.399313 0.000010 Minimization converged after 27 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:49 -105.997403 0.059811 LBFGSLineSearch: 1 17:30:49 -105.998677 0.040280 LBFGSLineSearch: 2 17:30:50 -105.998957 0.017513 LBFGSLineSearch: 3 17:30:51 -105.999036 0.015781 LBFGSLineSearch: 4 17:30:51 -105.999105 0.021935 LBFGSLineSearch: 5 17:30:52 -105.999233 0.010621 LBFGSLineSearch: 6 17:30:53 -105.999294 0.007614 LBFGSLineSearch: 7 17:30:53 -105.999325 0.005098 LBFGSLineSearch: 8 17:30:54 -105.999330 0.004545 LBFGSLineSearch: 9 17:30:54 -105.999340 0.002099 LBFGSLineSearch: 10 17:30:55 -105.999341 0.001458 LBFGSLineSearch: 11 17:30:56 -105.999342 0.001404 LBFGSLineSearch: 12 17:30:56 -105.999342 0.000984 LBFGSLineSearch: 13 17:30:57 -105.999343 0.000679 LBFGSLineSearch: 14 17:30:58 -105.999343 0.000543 LBFGSLineSearch: 15 17:30:58 -105.999343 0.000551 LBFGSLineSearch: 16 17:30:59 -105.999343 0.000758 LBFGSLineSearch: 17 17:30:59 -105.999343 0.000302 LBFGSLineSearch: 18 17:30:59 -105.999343 0.000305 LBFGSLineSearch: 19 17:31:00 -105.999343 0.000225 LBFGSLineSearch: 20 17:31:01 -105.999343 0.000146 LBFGSLineSearch: 21 17:31:01 -105.999343 0.000126 LBFGSLineSearch: 22 17:31:01 -105.999343 0.000089 LBFGSLineSearch: 23 17:31:01 -105.999343 0.000063 LBFGSLineSearch: 24 17:31:02 -105.999343 0.000020 LBFGSLineSearch: 25 17:31:02 -105.999343 0.000007 Minimization converged after 25 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:07 -106.601287 0.060200 LBFGSLineSearch: 1 17:31:08 -106.602472 0.037354 LBFGSLineSearch: 2 17:31:08 -106.602711 0.017713 LBFGSLineSearch: 3 17:31:09 -106.602812 0.017836 LBFGSLineSearch: 4 17:31:10 -106.602889 0.021358 LBFGSLineSearch: 5 17:31:10 -106.603040 0.012552 LBFGSLineSearch: 6 17:31:11 -106.603085 0.007478 LBFGSLineSearch: 7 17:31:11 -106.603100 0.007396 LBFGSLineSearch: 8 17:31:12 -106.603114 0.010692 LBFGSLineSearch: 9 17:31:12 -106.603145 0.004902 LBFGSLineSearch: 10 17:31:13 -106.603154 0.002577 LBFGSLineSearch: 11 17:31:13 -106.603155 0.001562 LBFGSLineSearch: 12 17:31:14 -106.603155 0.001798 LBFGSLineSearch: 13 17:31:15 -106.603157 0.000956 LBFGSLineSearch: 14 17:31:15 -106.603157 0.001272 LBFGSLineSearch: 15 17:31:15 -106.603157 0.000685 LBFGSLineSearch: 16 17:31:16 -106.603158 0.001173 LBFGSLineSearch: 17 17:31:17 -106.603158 0.000372 LBFGSLineSearch: 18 17:31:17 -106.603158 0.000190 LBFGSLineSearch: 19 17:31:18 -106.603158 0.000171 LBFGSLineSearch: 20 17:31:18 -106.603158 0.000174 LBFGSLineSearch: 21 17:31:19 -106.603158 0.000103 LBFGSLineSearch: 22 17:31:20 -106.603158 0.000046 LBFGSLineSearch: 23 17:31:21 -106.603158 0.000037 LBFGSLineSearch: 24 17:31:21 -106.603158 0.000004 Minimization converged after 24 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:26 -107.208832 0.060569 LBFGSLineSearch: 1 17:31:27 -107.209942 0.035128 LBFGSLineSearch: 2 17:31:28 -107.210233 0.021796 LBFGSLineSearch: 3 17:31:28 -107.210301 0.017797 LBFGSLineSearch: 4 17:31:28 -107.210387 0.027380 LBFGSLineSearch: 5 17:31:29 -107.210557 0.012216 LBFGSLineSearch: 6 17:31:29 -107.210598 0.008532 LBFGSLineSearch: 7 17:31:29 -107.210615 0.008944 LBFGSLineSearch: 8 17:31:30 -107.210633 0.012096 LBFGSLineSearch: 9 17:31:31 -107.210669 0.004942 LBFGSLineSearch: 10 17:31:31 -107.210678 0.002161 LBFGSLineSearch: 11 17:31:32 -107.210679 0.001747 LBFGSLineSearch: 12 17:31:33 -107.210680 0.001958 LBFGSLineSearch: 13 17:31:33 -107.210681 0.001157 LBFGSLineSearch: 14 17:31:34 -107.210682 0.001076 LBFGSLineSearch: 15 17:31:35 -107.210682 0.000635 LBFGSLineSearch: 16 17:31:35 -107.210683 0.000494 LBFGSLineSearch: 17 17:31:36 -107.210683 0.000527 LBFGSLineSearch: 18 17:31:37 -107.210683 0.000530 LBFGSLineSearch: 19 17:31:37 -107.210683 0.000241 LBFGSLineSearch: 20 17:31:38 -107.210683 0.000123 LBFGSLineSearch: 21 17:31:38 -107.210683 0.000163 LBFGSLineSearch: 22 17:31:39 -107.210683 0.000088 LBFGSLineSearch: 23 17:31:39 -107.210683 0.000060 LBFGSLineSearch: 24 17:31:40 -107.210683 0.000068 LBFGSLineSearch: 25 17:31:40 -107.210683 0.000021 LBFGSLineSearch: 26 17:31:42 -107.210683 0.000009 Minimization converged after 26 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:47 -107.820063 0.060941 LBFGSLineSearch: 1 17:31:48 -107.821116 0.033694 LBFGSLineSearch: 2 17:31:48 -107.821446 0.020035 LBFGSLineSearch: 3 17:31:49 -107.821536 0.020670 LBFGSLineSearch: 4 17:31:50 -107.821751 0.014567 LBFGSLineSearch: 5 17:31:51 -107.821795 0.011269 LBFGSLineSearch: 6 17:31:51 -107.821824 0.010644 LBFGSLineSearch: 7 17:31:52 -107.821866 0.011479 LBFGSLineSearch: 8 17:31:53 -107.821921 0.004982 LBFGSLineSearch: 9 17:31:53 -107.821928 0.003881 LBFGSLineSearch: 10 17:31:54 -107.821934 0.003874 LBFGSLineSearch: 11 17:31:55 -107.821935 0.001836 LBFGSLineSearch: 12 17:31:55 -107.821937 0.001411 LBFGSLineSearch: 13 17:31:56 -107.821939 0.001524 LBFGSLineSearch: 14 17:31:56 -107.821939 0.001169 LBFGSLineSearch: 15 17:31:57 -107.821940 0.000597 LBFGSLineSearch: 16 17:31:57 -107.821940 0.000477 LBFGSLineSearch: 17 17:31:58 -107.821940 0.000331 LBFGSLineSearch: 18 17:31:59 -107.821940 0.000278 LBFGSLineSearch: 19 17:32:00 -107.821940 0.000138 LBFGSLineSearch: 20 17:32:00 -107.821940 0.000128 LBFGSLineSearch: 21 17:32:01 -107.821940 0.000145 LBFGSLineSearch: 22 17:32:01 -107.821940 0.000084 LBFGSLineSearch: 23 17:32:02 -107.821940 0.000013 LBFGSLineSearch: 24 17:32:03 -107.821940 0.000014 LBFGSLineSearch: 25 17:32:03 -107.821940 0.000000 Minimization converged after 25 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:08 -108.435094 0.061315 LBFGSLineSearch: 1 17:32:08 -108.436107 0.032916 LBFGSLineSearch: 2 17:32:09 -108.436489 0.025580 LBFGSLineSearch: 3 17:32:09 -108.436597 0.024367 LBFGSLineSearch: 4 17:32:09 -108.436851 0.013835 LBFGSLineSearch: 5 17:32:09 -108.436904 0.011131 LBFGSLineSearch: 6 17:32:10 -108.436938 0.011774 LBFGSLineSearch: 7 17:32:10 -108.436962 0.013079 LBFGSLineSearch: 8 17:32:10 -108.437019 0.006756 LBFGSLineSearch: 9 17:32:10 -108.437026 0.004347 LBFGSLineSearch: 10 17:32:11 -108.437036 0.004018 LBFGSLineSearch: 11 17:32:11 -108.437039 0.001498 LBFGSLineSearch: 12 17:32:11 -108.437039 0.001486 LBFGSLineSearch: 13 17:32:11 -108.437039 0.001913 LBFGSLineSearch: 14 17:32:12 -108.437041 0.001117 LBFGSLineSearch: 15 17:32:12 -108.437042 0.001114 LBFGSLineSearch: 16 17:32:12 -108.437042 0.000980 LBFGSLineSearch: 17 17:32:13 -108.437043 0.000861 LBFGSLineSearch: 18 17:32:13 -108.437043 0.000330 LBFGSLineSearch: 19 17:32:13 -108.437043 0.000285 LBFGSLineSearch: 20 17:32:14 -108.437043 0.000253 LBFGSLineSearch: 21 17:32:14 -108.437043 0.000132 LBFGSLineSearch: 22 17:32:14 -108.437043 0.000142 LBFGSLineSearch: 23 17:32:14 -108.437043 0.000124 LBFGSLineSearch: 24 17:32:14 -108.437043 0.000098 LBFGSLineSearch: 25 17:32:15 -108.437043 0.000019 LBFGSLineSearch: 26 17:32:15 -108.437043 0.000014 LBFGSLineSearch: 27 17:32:15 -108.437043 0.000002 Minimization converged after 27 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:20 -109.054128 0.061710 LBFGSLineSearch: 1 17:32:22 -109.055119 0.032666 LBFGSLineSearch: 2 17:32:23 -109.055549 0.030019 LBFGSLineSearch: 3 17:32:23 -109.055755 0.030694 LBFGSLineSearch: 4 17:32:24 -109.055948 0.019610 LBFGSLineSearch: 5 17:32:25 -109.055988 0.016656 LBFGSLineSearch: 6 17:32:25 -109.056071 0.014352 LBFGSLineSearch: 7 17:32:26 -109.056159 0.010075 LBFGSLineSearch: 8 17:32:27 -109.056168 0.006590 LBFGSLineSearch: 9 17:32:27 -109.056176 0.007615 LBFGSLineSearch: 10 17:32:28 -109.056190 0.004601 LBFGSLineSearch: 11 17:32:28 -109.056192 0.001393 LBFGSLineSearch: 12 17:32:29 -109.056193 0.001670 LBFGSLineSearch: 13 17:32:29 -109.056195 0.001253 LBFGSLineSearch: 14 17:32:30 -109.056196 0.000760 LBFGSLineSearch: 15 17:32:30 -109.056196 0.000754 LBFGSLineSearch: 16 17:32:30 -109.056196 0.000752 LBFGSLineSearch: 17 17:32:31 -109.056197 0.000331 LBFGSLineSearch: 18 17:32:31 -109.056197 0.000208 LBFGSLineSearch: 19 17:32:32 -109.056197 0.000162 LBFGSLineSearch: 20 17:32:32 -109.056197 0.000189 LBFGSLineSearch: 21 17:32:32 -109.056197 0.000125 LBFGSLineSearch: 22 17:32:33 -109.056197 0.000013 LBFGSLineSearch: 23 17:32:33 -109.056197 0.000012 LBFGSLineSearch: 24 17:32:34 -109.056197 0.000000 Minimization converged after 24 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:39 -109.677473 0.062128 LBFGSLineSearch: 1 17:32:39 -109.678461 0.032866 LBFGSLineSearch: 2 17:32:40 -109.678929 0.032634 LBFGSLineSearch: 3 17:32:41 -109.679321 0.023820 LBFGSLineSearch: 4 17:32:41 -109.679398 0.017278 LBFGSLineSearch: 5 17:32:42 -109.679445 0.027430 LBFGSLineSearch: 6 17:32:42 -109.679563 0.014980 LBFGSLineSearch: 7 17:32:43 -109.679613 0.016133 LBFGSLineSearch: 8 17:32:44 -109.679692 0.007562 LBFGSLineSearch: 9 17:32:44 -109.679715 0.006509 LBFGSLineSearch: 10 17:32:45 -109.679720 0.004877 LBFGSLineSearch: 11 17:32:45 -109.679722 0.003160 LBFGSLineSearch: 12 17:32:46 -109.679724 0.001730 LBFGSLineSearch: 13 17:32:47 -109.679726 0.001402 LBFGSLineSearch: 14 17:32:47 -109.679727 0.001082 LBFGSLineSearch: 15 17:32:48 -109.679728 0.000911 LBFGSLineSearch: 16 17:32:49 -109.679728 0.000893 LBFGSLineSearch: 17 17:32:49 -109.679728 0.000334 LBFGSLineSearch: 18 17:32:50 -109.679728 0.000258 LBFGSLineSearch: 19 17:32:51 -109.679728 0.000182 LBFGSLineSearch: 20 17:32:51 -109.679728 0.000158 LBFGSLineSearch: 21 17:32:52 -109.679728 0.000190 LBFGSLineSearch: 22 17:32:52 -109.679728 0.000138 LBFGSLineSearch: 23 17:32:53 -109.679728 0.000047 LBFGSLineSearch: 24 17:32:54 -109.679728 0.000007 Minimization converged after 24 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:58 -110.305599 0.062589 LBFGSLineSearch: 1 17:33:00 -110.306610 0.033835 LBFGSLineSearch: 2 17:33:01 -110.307120 0.035015 LBFGSLineSearch: 3 17:33:02 -110.307555 0.028782 LBFGSLineSearch: 4 17:33:02 -110.307684 0.019780 LBFGSLineSearch: 5 17:33:03 -110.307733 0.023018 LBFGSLineSearch: 6 17:33:03 -110.307813 0.031938 LBFGSLineSearch: 7 17:33:03 -110.307951 0.018419 LBFGSLineSearch: 8 17:33:04 -110.308101 0.013604 LBFGSLineSearch: 9 17:33:05 -110.308118 0.007551 LBFGSLineSearch: 10 17:33:06 -110.308130 0.011387 LBFGSLineSearch: 11 17:33:06 -110.308154 0.003351 LBFGSLineSearch: 12 17:33:07 -110.308156 0.002089 LBFGSLineSearch: 13 17:33:08 -110.308157 0.001483 LBFGSLineSearch: 14 17:33:09 -110.308157 0.002046 LBFGSLineSearch: 15 17:33:09 -110.308158 0.001422 LBFGSLineSearch: 16 17:33:10 -110.308159 0.001791 LBFGSLineSearch: 17 17:33:11 -110.308160 0.000657 LBFGSLineSearch: 18 17:33:12 -110.308160 0.000585 LBFGSLineSearch: 19 17:33:12 -110.308160 0.000200 LBFGSLineSearch: 20 17:33:13 -110.308160 0.000127 LBFGSLineSearch: 21 17:33:13 -110.308160 0.000119 LBFGSLineSearch: 22 17:33:15 -110.308160 0.000048 LBFGSLineSearch: 23 17:33:15 -110.308160 0.000032 LBFGSLineSearch: 24 17:33:17 -110.308160 0.000040 LBFGSLineSearch: 25 17:33:17 -110.308160 0.000025 LBFGSLineSearch: 26 17:33:18 -110.308160 0.000025 LBFGSLineSearch: 27 17:33:18 -110.308160 0.000022 LBFGSLineSearch: 28 17:33:19 -110.308160 0.000001 Minimization converged after 28 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:24 -110.939305 0.063115 LBFGSLineSearch: 1 17:33:25 -110.940386 0.035720 LBFGSLineSearch: 2 17:33:26 -110.940963 0.033636 LBFGSLineSearch: 3 17:33:26 -110.941511 0.032989 LBFGSLineSearch: 4 17:33:27 -110.941684 0.022837 LBFGSLineSearch: 5 17:33:28 -110.941772 0.028207 LBFGSLineSearch: 6 17:33:28 -110.941892 0.036713 LBFGSLineSearch: 7 17:33:29 -110.942085 0.020263 LBFGSLineSearch: 8 17:33:30 -110.942290 0.021161 LBFGSLineSearch: 9 17:33:30 -110.942390 0.012111 LBFGSLineSearch: 10 17:33:31 -110.942419 0.010631 LBFGSLineSearch: 11 17:33:31 -110.942444 0.010813 LBFGSLineSearch: 12 17:33:32 -110.942471 0.006408 LBFGSLineSearch: 13 17:33:33 -110.942481 0.003662 LBFGSLineSearch: 14 17:33:33 -110.942486 0.003641 LBFGSLineSearch: 15 17:33:34 -110.942489 0.005072 LBFGSLineSearch: 16 17:33:34 -110.942497 0.002865 LBFGSLineSearch: 17 17:33:35 -110.942499 0.003932 LBFGSLineSearch: 18 17:33:36 -110.942506 0.002356 LBFGSLineSearch: 19 17:33:37 -110.942506 0.002122 LBFGSLineSearch: 20 17:33:37 -110.942507 0.002309 LBFGSLineSearch: 21 17:33:38 -110.942511 0.001179 LBFGSLineSearch: 22 17:33:39 -110.942511 0.001269 LBFGSLineSearch: 23 17:33:39 -110.942513 0.000397 LBFGSLineSearch: 24 17:33:40 -110.942513 0.000399 LBFGSLineSearch: 25 17:33:41 -110.942514 0.000334 LBFGSLineSearch: 26 17:33:41 -110.942514 0.000078 LBFGSLineSearch: 27 17:33:42 -110.942514 0.000083 LBFGSLineSearch: 28 17:33:42 -110.942514 0.000046 LBFGSLineSearch: 29 17:33:43 -110.942514 0.000044 LBFGSLineSearch: 30 17:33:44 -110.942514 0.000008 Minimization converged after 30 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:49 -111.580553 0.063810 LBFGSLineSearch: 1 17:33:49 -111.581872 0.041226 LBFGSLineSearch: 2 17:33:50 -111.607653 0.161835 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 2 steps. Final forces: [[ 3.09039237e-02 4.21740870e-20 1.67778437e-02] [-3.09039237e-02 -4.21740870e-20 -1.67778437e-02] [-9.19383974e-02 -2.19539111e-19 -5.68282800e-02] [ 9.19383974e-02 2.19539111e-19 5.68282800e-02] [-1.20499704e-01 1.92483661e-18 8.81492045e-02] [ 1.20499704e-01 -1.92483661e-18 -8.81492045e-02] [ 1.01223721e-01 2.98458830e-19 6.67387698e-02] [-1.01223721e-01 -2.98458830e-19 -6.67387698e-02] [ 1.52342443e-01 -1.61014801e-18 -5.09251463e-02] [-1.52342443e-01 1.61014801e-18 5.09251463e-02]] Final stress: [ 1.94221071e-01 1.96798299e-01 1.92509383e-01 -1.78898279e-19 2.34064505e-03 1.08303939e-18] Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:55 -112.259540 0.221448 LBFGSLineSearch: 1 17:33:55 -112.303712 0.234468 LBFGSLineSearch: 2 17:33:56 -112.332624 0.535544 LBFGSLineSearch: 3 17:33:57 -112.638611 1.919488 Failed to get energy or crystal structure at pressure -32.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')