Model name? MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "property-id": "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "instance-id": 1, "prototype-label": { "source-value": "AB4_mP10_11_e_4e" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 6.3507007829197075, "source-unit": "angstrom", "si-unit": "m", "si-value": 6.350700782919708e-10 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "x1", "z1", "x2", "z2", "x3", "z3", "x4", "z4", "x5", "z5" ] }, "parameter-values": { "source-value": [ 0.4303518505742722, 0.9334767714427333, 101.3425755451955, 0.26340045864208084, 0.882791622962297, 0.8264047529409111, 0.8903958832234329, 0.5201794887884232, 0.1673313716147553, 0.926402139865051, 0.31857461540584, 0.3218719034060604, 0.4875600262408968 ] }, "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_075279800195_002-1753137571-tr", "path": "tr/TE_196224119665_003-and-MO_075279800195_002-1753137571-tr", "type": "tr", "_id": "TE_196224119665_003-and-MO_075279800195_002-1753137571-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_LiyanageKimHouze_2014_FeC__MO_075279800195_002", "short-id": "MO_075279800195_002", "kimid-prefix": "MEAM_LAMMPS_LiyanageKimHouze_2014_FeC", "kimid-typecode": "mo", "kimid-number": "075279800195", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_LiyanageKimHouze_2014_FeC", "type": "mo", "kimnum": "075279800195", "version": 2, "shortcode": "MO_075279800195", "kimcode": "MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002", "path": "mo/MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002", "approved": true, "_id": "MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_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": "NIST IPRP (https://www.ctcms.nist.gov/potentials/C.html#Fe-C)", "content-other-locations": "https://openkim.org/id/Sim_LAMMPS_MEAM_LiyanageSeongGonHouze_2014_FeC__SM_652425777808_000", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "Structural, elastic, and thermal properties of cementite (Fe3C) were studied using a modified embedded atom method (MEAM) potential for iron-carbon (Fe-C) alloys. Previously developed Fe and C single-element potentials were used to develop a Fe-C alloy MEAM potential, using a statistics-based optimization scheme to reproduce structural and elastic properties of cementite, the interstitial energies of C in bcc Fe, and heat of formation of Fe-C alloys in L12 and B1 structures. The stability of cementite was investigated by molecular dynamics simulations at high temperatures. The nine single-crystal elastic constants for cementite were obtained by computing total energies for strained cells. Polycrystalline elastic moduli for cementite were calculated from the single-crystal elastic constants of cementite. The formation energies of (001), (010), and (100) surfaces of cementite were also calculated. The melting temperature and the variation of specific heat and volume with respect to temperature were investigated by performing a two-phase (solid/liquid) molecular dynamics simulation of cementite. The predictions of the potential are in good agreement with first-principles calculations and experiments.", "developer": [ "b57192f1-da1b-4c05-a8b9-4edafd03d7c0", "fc94aa47-3bf9-4fef-9173-f436a3a30fba", "6f3ea8df-d324-4d28-b691-30ab97b958ee", "7a150073-c3ee-40e3-abd8-a1ab25f0d27a", "30eff733-b49f-4782-a4bc-4e4aac77e2eb", "05936d64-2312-402a-9873-5b6799e9f6db", "f4be9acd-d607-496c-852a-789b0f31a02e" ], "doi": "10.25950/6f584d55", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Liyanage, Laalitha S. I. and Kim, Seong-Gon and Houze, Jeff and Kim, Sungho and Tschopp, Mark A. and Baskes, M. I. and Horstemeyer, M. F.", "doi": "10.1103/PhysRevB.89.094102", "journal": "Phys. Rev. B", "month": "Mar", "note": "", "number": "", "pages": "094102", "recordkey": "MO_075279800195_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Structural, elastic, and thermal properties of cementite (${\\\\mathrm{Fe}}_{3}C$) calculated using a modified embedded atom method", "volume": "89", "year": "2014" } ], "species": [ "Fe", "C" ], "title": "MEAM potential for Fe-C developed by Liyanage et al. (2014) v002", "created_on": "2023-05-09 18:57:33.712500" }, "test": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "model": "MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002", "domain": "openkim.org", "test-result-id": "TE_196224119665_003-and-MO_075279800195_002-1753137571-tr", "created_on": "2025-07-21 23:20:28.298605", "dependencies": [] }, "created_on": "2025-07-21 23:20:28.298605", "inserted_on": "2025-07-21 23:26:51.744223", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0010999029132590932 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 01:07:34 -47.218638 0.031548 LBFGSLineSearch: 1 01:07:35 -47.219020 0.020931 LBFGSLineSearch: 2 01:07:35 -47.219062 0.004557 LBFGSLineSearch: 3 01:07:36 -47.219066 0.002506 LBFGSLineSearch: 4 01:07:37 -47.219067 0.002695 LBFGSLineSearch: 5 01:07:38 -47.219068 0.002384 LBFGSLineSearch: 6 01:07:39 -47.219069 0.001669 LBFGSLineSearch: 7 01:07:43 -47.219071 0.001456 LBFGSLineSearch: 8 01:07:44 -47.219072 0.001908 LBFGSLineSearch: 9 01:07:46 -47.219073 0.001668 LBFGSLineSearch: 10 01:07:47 -47.219075 0.001643 LBFGSLineSearch: 11 01:07:48 -47.219077 0.001611 LBFGSLineSearch: 12 01:07:48 -47.219077 0.000497 LBFGSLineSearch: 13 01:07:49 -47.219077 0.000511 LBFGSLineSearch: 14 01:07:51 -47.219077 0.000568 LBFGSLineSearch: 15 01:07:53 -47.219077 0.000422 LBFGSLineSearch: 16 01:07:53 -47.219077 0.000454 LBFGSLineSearch: 17 01:07:54 -47.219077 0.000469 LBFGSLineSearch: 18 01:07:54 -47.219077 0.000362 LBFGSLineSearch: 19 01:07:55 -47.219078 0.000124 LBFGSLineSearch: 20 01:07:55 -47.219078 0.000079 LBFGSLineSearch: 21 01:07:56 -47.219078 0.000067 LBFGSLineSearch: 22 01:07:56 -47.219078 0.000040 LBFGSLineSearch: 23 01:07:57 -47.219078 0.000020 LBFGSLineSearch: 24 01:07:58 -47.219078 0.000020 LBFGSLineSearch: 25 01:07:58 -47.219078 0.000004 Minimization converged after 25 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:12 -47.180629 0.003848 LBFGSLineSearch: 1 01:08:12 -47.180635 0.002033 LBFGSLineSearch: 2 01:08:12 -47.180636 0.000542 LBFGSLineSearch: 3 01:08:13 -47.180636 0.000353 LBFGSLineSearch: 4 01:08:13 -47.180636 0.000206 LBFGSLineSearch: 5 01:08:13 -47.180636 0.000175 LBFGSLineSearch: 6 01:08:14 -47.180636 0.000291 LBFGSLineSearch: 7 01:08:14 -47.180636 0.000218 LBFGSLineSearch: 8 01:08:15 -47.180636 0.000268 LBFGSLineSearch: 9 01:08:17 -47.180636 0.000223 LBFGSLineSearch: 10 01:08:18 -47.180636 0.000129 LBFGSLineSearch: 11 01:08:19 -47.180636 0.000095 LBFGSLineSearch: 12 01:08:21 -47.180636 0.000080 LBFGSLineSearch: 13 01:08:21 -47.180636 0.000050 LBFGSLineSearch: 14 01:08:22 -47.180636 0.000060 LBFGSLineSearch: 15 01:08:24 -47.180636 0.000065 LBFGSLineSearch: 16 01:08:25 -47.180636 0.000054 LBFGSLineSearch: 17 01:08:26 -47.180636 0.000052 LBFGSLineSearch: 18 01:08:27 -47.180636 0.000044 LBFGSLineSearch: 19 01:08:27 -47.180636 0.000056 LBFGSLineSearch: 20 01:08:28 -47.180636 0.000062 LBFGSLineSearch: 21 01:08:29 -47.180636 0.000042 LBFGSLineSearch: 22 01:08:30 -47.180636 0.000012 LBFGSLineSearch: 23 01:08:32 -47.180636 0.000009 Minimization converged after 23 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:42 -47.137494 0.004315 LBFGSLineSearch: 1 01:08:44 -47.137501 0.002281 LBFGSLineSearch: 2 01:08:45 -47.137502 0.000609 LBFGSLineSearch: 3 01:08:46 -47.137502 0.000394 LBFGSLineSearch: 4 01:08:47 -47.137502 0.000237 LBFGSLineSearch: 5 01:08:49 -47.137502 0.000192 LBFGSLineSearch: 6 01:08:50 -47.137502 0.000318 LBFGSLineSearch: 7 01:08:52 -47.137502 0.000245 LBFGSLineSearch: 8 01:08:53 -47.137502 0.000296 LBFGSLineSearch: 9 01:08:55 -47.137502 0.000229 LBFGSLineSearch: 10 01:08:56 -47.137502 0.000240 LBFGSLineSearch: 11 01:08:58 -47.137502 0.000278 LBFGSLineSearch: 12 01:09:00 -47.137502 0.000093 LBFGSLineSearch: 13 01:09:01 -47.137502 0.000065 LBFGSLineSearch: 14 01:09:01 -47.137502 0.000066 LBFGSLineSearch: 15 01:09:02 -47.137502 0.000060 LBFGSLineSearch: 16 01:09:03 -47.137502 0.000077 LBFGSLineSearch: 17 01:09:04 -47.137502 0.000054 LBFGSLineSearch: 18 01:09:05 -47.137502 0.000084 LBFGSLineSearch: 19 01:09:07 -47.137502 0.000065 LBFGSLineSearch: 20 01:09:07 -47.137502 0.000026 LBFGSLineSearch: 21 01:09:08 -47.137502 0.000011 LBFGSLineSearch: 22 01:09:09 -47.137502 0.000008 Minimization converged after 22 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:19 -47.089095 0.004843 LBFGSLineSearch: 1 01:09:20 -47.089104 0.002565 LBFGSLineSearch: 2 01:09:22 -47.089105 0.000684 LBFGSLineSearch: 3 01:09:23 -47.089105 0.000440 LBFGSLineSearch: 4 01:09:24 -47.089105 0.000272 LBFGSLineSearch: 5 01:09:25 -47.089105 0.000211 LBFGSLineSearch: 6 01:09:26 -47.089105 0.000349 LBFGSLineSearch: 7 01:09:30 -47.089105 0.000276 LBFGSLineSearch: 8 01:09:32 -47.089105 0.000301 LBFGSLineSearch: 9 01:09:34 -47.089105 0.000399 LBFGSLineSearch: 10 01:09:38 -47.089105 0.000277 LBFGSLineSearch: 11 01:09:40 -47.089105 0.000210 LBFGSLineSearch: 12 01:09:42 -47.089105 0.000108 LBFGSLineSearch: 13 01:09:43 -47.089105 0.000074 LBFGSLineSearch: 14 01:09:46 -47.089105 0.000078 LBFGSLineSearch: 15 01:09:49 -47.089105 0.000067 LBFGSLineSearch: 16 01:09:49 -47.089105 0.000101 LBFGSLineSearch: 17 01:09:50 -47.089105 0.000018 LBFGSLineSearch: 18 01:09:51 -47.089105 0.000015 LBFGSLineSearch: 19 01:09:52 -47.089105 0.000005 Minimization converged after 19 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:02 -47.034794 0.005435 LBFGSLineSearch: 1 01:10:03 -47.034805 0.002869 LBFGSLineSearch: 2 01:10:04 -47.034806 0.000767 LBFGSLineSearch: 3 01:10:05 -47.034806 0.000493 LBFGSLineSearch: 4 01:10:07 -47.034806 0.000312 LBFGSLineSearch: 5 01:10:09 -47.034806 0.000228 LBFGSLineSearch: 6 01:10:09 -47.034806 0.000378 LBFGSLineSearch: 7 01:10:10 -47.034806 0.000273 LBFGSLineSearch: 8 01:10:10 -47.034806 0.000312 LBFGSLineSearch: 9 01:10:12 -47.034806 0.000370 LBFGSLineSearch: 10 01:10:14 -47.034807 0.000308 LBFGSLineSearch: 11 01:10:17 -47.034807 0.000121 LBFGSLineSearch: 12 01:10:18 -47.034807 0.000121 LBFGSLineSearch: 13 01:10:18 -47.034807 0.000093 LBFGSLineSearch: 14 01:10:20 -47.034807 0.000082 LBFGSLineSearch: 15 01:10:22 -47.034807 0.000109 LBFGSLineSearch: 16 01:10:23 -47.034807 0.000080 LBFGSLineSearch: 17 01:10:26 -47.034807 0.000069 LBFGSLineSearch: 18 01:10:27 -47.034807 0.000075 LBFGSLineSearch: 19 01:10:27 -47.034807 0.000083 LBFGSLineSearch: 20 01:10:28 -47.034807 0.000089 LBFGSLineSearch: 21 01:10:28 -47.034807 0.000076 LBFGSLineSearch: 22 01:10:28 -47.034807 0.000028 LBFGSLineSearch: 23 01:10:28 -47.034807 0.000014 LBFGSLineSearch: 24 01:10:29 -47.034807 0.000014 LBFGSLineSearch: 25 01:10:29 -47.034807 0.000005 Minimization converged after 25 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:41 -46.973873 0.006097 LBFGSLineSearch: 1 01:10:43 -46.973887 0.003212 LBFGSLineSearch: 2 01:10:45 -46.973888 0.000862 LBFGSLineSearch: 3 01:10:46 -46.973889 0.000543 LBFGSLineSearch: 4 01:10:48 -46.973889 0.000342 LBFGSLineSearch: 5 01:10:49 -46.973889 0.000249 LBFGSLineSearch: 6 01:10:49 -46.973889 0.000333 LBFGSLineSearch: 7 01:10:50 -46.973889 0.000470 LBFGSLineSearch: 8 01:10:52 -46.973889 0.000327 LBFGSLineSearch: 9 01:10:53 -46.973889 0.000292 LBFGSLineSearch: 10 01:10:54 -46.973889 0.000388 LBFGSLineSearch: 11 01:10:54 -46.973889 0.000560 LBFGSLineSearch: 12 01:10:54 -46.973889 0.000345 LBFGSLineSearch: 13 01:10:55 -46.973889 0.000127 LBFGSLineSearch: 14 01:10:56 -46.973889 0.000101 LBFGSLineSearch: 15 01:10:59 -46.973889 0.000106 LBFGSLineSearch: 16 01:11:01 -46.973889 0.000093 LBFGSLineSearch: 17 01:11:03 -46.973889 0.000103 LBFGSLineSearch: 18 01:11:06 -46.973889 0.000109 LBFGSLineSearch: 19 01:11:08 -46.973889 0.000072 LBFGSLineSearch: 20 01:11:10 -46.973889 0.000097 LBFGSLineSearch: 21 01:11:11 -46.973889 0.000095 LBFGSLineSearch: 22 01:11:12 -46.973889 0.000064 LBFGSLineSearch: 23 01:11:14 -46.973889 0.000023 LBFGSLineSearch: 24 01:11:15 -46.973889 0.000017 LBFGSLineSearch: 25 01:11:16 -46.973889 0.000006 Minimization converged after 25 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:34 -46.905530 0.006840 LBFGSLineSearch: 1 01:11:35 -46.905548 0.003597 LBFGSLineSearch: 2 01:11:36 -46.905549 0.000967 LBFGSLineSearch: 3 01:11:37 -46.905549 0.000556 LBFGSLineSearch: 4 01:11:39 -46.905550 0.000592 LBFGSLineSearch: 5 01:11:40 -46.905550 0.000341 LBFGSLineSearch: 6 01:11:41 -46.905550 0.000347 LBFGSLineSearch: 7 01:11:41 -46.905550 0.000362 LBFGSLineSearch: 8 01:11:41 -46.905550 0.000406 LBFGSLineSearch: 9 01:11:42 -46.905550 0.000457 LBFGSLineSearch: 10 01:11:43 -46.905550 0.000389 LBFGSLineSearch: 11 01:11:45 -46.905550 0.000187 LBFGSLineSearch: 12 01:11:48 -46.905550 0.000138 LBFGSLineSearch: 13 01:11:49 -46.905550 0.000108 LBFGSLineSearch: 14 01:11:49 -46.905550 0.000110 LBFGSLineSearch: 15 01:11:49 -46.905550 0.000101 LBFGSLineSearch: 16 01:11:49 -46.905550 0.000101 LBFGSLineSearch: 17 01:11:50 -46.905550 0.000093 LBFGSLineSearch: 18 01:11:52 -46.905550 0.000109 LBFGSLineSearch: 19 01:11:53 -46.905550 0.000126 LBFGSLineSearch: 20 01:11:53 -46.905550 0.000098 LBFGSLineSearch: 21 01:11:55 -46.905550 0.000042 LBFGSLineSearch: 22 01:11:57 -46.905550 0.000019 LBFGSLineSearch: 23 01:11:58 -46.905550 0.000019 LBFGSLineSearch: 24 01:11:59 -46.905550 0.000007 Minimization converged after 24 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:11 -46.828865 0.007673 LBFGSLineSearch: 1 01:12:13 -46.828888 0.004026 LBFGSLineSearch: 2 01:12:14 -46.828890 0.001086 LBFGSLineSearch: 3 01:12:17 -46.828890 0.000587 LBFGSLineSearch: 4 01:12:19 -46.828890 0.000706 LBFGSLineSearch: 5 01:12:22 -46.828890 0.000377 LBFGSLineSearch: 6 01:12:23 -46.828890 0.000395 LBFGSLineSearch: 7 01:12:24 -46.828890 0.000404 LBFGSLineSearch: 8 01:12:25 -46.828890 0.000446 LBFGSLineSearch: 9 01:12:26 -46.828890 0.000508 LBFGSLineSearch: 10 01:12:27 -46.828890 0.000437 LBFGSLineSearch: 11 01:12:28 -46.828890 0.000219 LBFGSLineSearch: 12 01:12:29 -46.828890 0.000159 LBFGSLineSearch: 13 01:12:30 -46.828891 0.000147 LBFGSLineSearch: 14 01:12:30 -46.828891 0.000138 LBFGSLineSearch: 15 01:12:30 -46.828891 0.000114 LBFGSLineSearch: 16 01:12:30 -46.828891 0.000101 LBFGSLineSearch: 17 01:12:31 -46.828891 0.000115 LBFGSLineSearch: 18 01:12:31 -46.828891 0.000100 LBFGSLineSearch: 19 01:12:32 -46.828891 0.000127 LBFGSLineSearch: 20 01:12:32 -46.828891 0.000138 LBFGSLineSearch: 21 01:12:33 -46.828891 0.000026 LBFGSLineSearch: 22 01:12:33 -46.828891 0.000021 LBFGSLineSearch: 23 01:12:33 -46.828891 0.000008 Minimization converged after 23 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:45 -46.742872 0.008607 LBFGSLineSearch: 1 01:12:45 -46.742901 0.004505 LBFGSLineSearch: 2 01:12:46 -46.742903 0.001219 LBFGSLineSearch: 3 01:12:46 -46.742903 0.000656 LBFGSLineSearch: 4 01:12:47 -46.742903 0.000781 LBFGSLineSearch: 5 01:12:47 -46.742903 0.000422 LBFGSLineSearch: 6 01:12:48 -46.742904 0.000479 LBFGSLineSearch: 7 01:12:49 -46.742904 0.000515 LBFGSLineSearch: 8 01:12:49 -46.742904 0.000576 LBFGSLineSearch: 9 01:12:50 -46.742904 0.000451 LBFGSLineSearch: 10 01:12:50 -46.742904 0.000514 LBFGSLineSearch: 11 01:12:50 -46.742904 0.000224 LBFGSLineSearch: 12 01:12:51 -46.742904 0.000133 LBFGSLineSearch: 13 01:12:51 -46.742904 0.000129 LBFGSLineSearch: 14 01:12:54 -46.742904 0.000125 LBFGSLineSearch: 15 01:12:58 -46.742904 0.000140 LBFGSLineSearch: 16 01:13:01 -46.742904 0.000152 LBFGSLineSearch: 17 01:13:02 -46.742904 0.000176 LBFGSLineSearch: 18 01:13:03 -46.742904 0.000148 LBFGSLineSearch: 19 01:13:03 -46.742904 0.000050 LBFGSLineSearch: 20 01:13:04 -46.742904 0.000027 LBFGSLineSearch: 21 01:13:04 -46.742904 0.000009 Minimization converged after 21 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:13:18 -46.646424 0.009654 LBFGSLineSearch: 1 01:13:20 -46.646459 0.005043 LBFGSLineSearch: 2 01:13:21 -46.646463 0.001369 LBFGSLineSearch: 3 01:13:21 -46.646463 0.000734 LBFGSLineSearch: 4 01:13:22 -46.646463 0.000866 LBFGSLineSearch: 5 01:13:24 -46.646463 0.000472 LBFGSLineSearch: 6 01:13:24 -46.646463 0.000540 LBFGSLineSearch: 7 01:13:25 -46.646463 0.000563 LBFGSLineSearch: 8 01:13:25 -46.646463 0.000583 LBFGSLineSearch: 9 01:13:26 -46.646464 0.000763 LBFGSLineSearch: 10 01:13:26 -46.646464 0.000555 LBFGSLineSearch: 11 01:13:26 -46.646464 0.000255 LBFGSLineSearch: 12 01:13:26 -46.646464 0.000138 LBFGSLineSearch: 13 01:13:27 -46.646464 0.000189 LBFGSLineSearch: 14 01:13:27 -46.646464 0.000141 LBFGSLineSearch: 15 01:13:27 -46.646464 0.000204 LBFGSLineSearch: 16 01:13:27 -46.646464 0.000116 LBFGSLineSearch: 17 01:13:28 -46.646464 0.000034 LBFGSLineSearch: 18 01:13:28 -46.646464 0.000015 LBFGSLineSearch: 19 01:13:28 -46.646464 0.000011 LBFGSLineSearch: 20 01:13:29 -46.646464 0.000001 Minimization converged after 20 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:13:44 -46.538259 0.010821 LBFGSLineSearch: 1 01:13:48 -46.538304 0.005644 LBFGSLineSearch: 2 01:13:50 -46.538307 0.001538 LBFGSLineSearch: 3 01:13:53 -46.538308 0.000817 LBFGSLineSearch: 4 01:13:55 -46.538308 0.000947 LBFGSLineSearch: 5 01:13:59 -46.538308 0.000528 LBFGSLineSearch: 6 01:14:01 -46.538308 0.000648 LBFGSLineSearch: 7 01:14:02 -46.538308 0.000580 LBFGSLineSearch: 8 01:14:04 -46.538308 0.000474 LBFGSLineSearch: 9 01:14:04 -46.538309 0.000662 LBFGSLineSearch: 10 01:14:05 -46.538309 0.000901 LBFGSLineSearch: 11 01:14:05 -46.538309 0.000615 LBFGSLineSearch: 12 01:14:05 -46.538309 0.000248 LBFGSLineSearch: 13 01:14:06 -46.538309 0.000158 LBFGSLineSearch: 14 01:14:06 -46.538309 0.000231 LBFGSLineSearch: 15 01:14:06 -46.538309 0.000154 LBFGSLineSearch: 16 01:14:07 -46.538309 0.000231 LBFGSLineSearch: 17 01:14:08 -46.538309 0.000078 LBFGSLineSearch: 18 01:14:08 -46.538309 0.000036 LBFGSLineSearch: 19 01:14:09 -46.538309 0.000036 LBFGSLineSearch: 20 01:14:10 -46.538309 0.000016 LBFGSLineSearch: 21 01:14:11 -46.538309 0.000010 Minimization converged after 21 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:24 -46.416966 0.012140 LBFGSLineSearch: 1 01:14:25 -46.417022 0.006297 LBFGSLineSearch: 2 01:14:26 -46.417027 0.001727 LBFGSLineSearch: 3 01:14:27 -46.417028 0.000909 LBFGSLineSearch: 4 01:14:28 -46.417028 0.001035 LBFGSLineSearch: 5 01:14:30 -46.417028 0.000589 LBFGSLineSearch: 6 01:14:33 -46.417028 0.000757 LBFGSLineSearch: 7 01:14:35 -46.417028 0.000621 LBFGSLineSearch: 8 01:14:37 -46.417028 0.000792 LBFGSLineSearch: 9 01:14:37 -46.417029 0.000683 LBFGSLineSearch: 10 01:14:39 -46.417029 0.000733 LBFGSLineSearch: 11 01:14:39 -46.417029 0.000299 LBFGSLineSearch: 12 01:14:39 -46.417029 0.000274 LBFGSLineSearch: 13 01:14:40 -46.417029 0.000236 LBFGSLineSearch: 14 01:14:40 -46.417029 0.000188 LBFGSLineSearch: 15 01:14:41 -46.417029 0.000256 LBFGSLineSearch: 16 01:14:41 -46.417029 0.000336 LBFGSLineSearch: 17 01:14:42 -46.417029 0.000169 LBFGSLineSearch: 18 01:14:42 -46.417029 0.000161 LBFGSLineSearch: 19 01:14:42 -46.417029 0.000282 LBFGSLineSearch: 20 01:14:43 -46.417029 0.000236 LBFGSLineSearch: 21 01:14:43 -46.417029 0.000038 LBFGSLineSearch: 22 01:14:44 -46.417029 0.000033 LBFGSLineSearch: 23 01:14:45 -46.417029 0.000013 LBFGSLineSearch: 24 01:14:46 -46.417029 0.000012 LBFGSLineSearch: 25 01:14:46 -46.417029 0.000000 Minimization converged after 25 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:59 -46.280968 0.013606 LBFGSLineSearch: 1 01:14:59 -46.281038 0.007031 LBFGSLineSearch: 2 01:15:00 -46.281044 0.001938 LBFGSLineSearch: 3 01:15:01 -46.281045 0.001014 LBFGSLineSearch: 4 01:15:02 -46.281045 0.001127 LBFGSLineSearch: 5 01:15:04 -46.281045 0.000659 LBFGSLineSearch: 6 01:15:06 -46.281046 0.000886 LBFGSLineSearch: 7 01:15:08 -46.281046 0.000672 LBFGSLineSearch: 8 01:15:10 -46.281046 0.000801 LBFGSLineSearch: 9 01:15:14 -46.281046 0.000728 LBFGSLineSearch: 10 01:15:16 -46.281046 0.000944 LBFGSLineSearch: 11 01:15:17 -46.281047 0.000529 LBFGSLineSearch: 12 01:15:18 -46.281047 0.000702 LBFGSLineSearch: 13 01:15:19 -46.281047 0.000850 LBFGSLineSearch: 14 01:15:19 -46.281047 0.000227 LBFGSLineSearch: 15 01:15:20 -46.281047 0.000212 LBFGSLineSearch: 16 01:15:21 -46.281047 0.000211 LBFGSLineSearch: 17 01:15:22 -46.281047 0.000190 LBFGSLineSearch: 18 01:15:25 -46.281047 0.000231 LBFGSLineSearch: 19 01:15:26 -46.281047 0.000275 LBFGSLineSearch: 20 01:15:27 -46.281047 0.000056 LBFGSLineSearch: 21 01:15:28 -46.281047 0.000044 LBFGSLineSearch: 22 01:15:28 -46.281047 0.000037 LBFGSLineSearch: 23 01:15:29 -46.281047 0.000012 LBFGSLineSearch: 24 01:15:30 -46.281047 0.000011 LBFGSLineSearch: 25 01:15:31 -46.281047 0.000001 Minimization converged after 25 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:15:43 -46.128501 0.015255 LBFGSLineSearch: 1 01:15:46 -46.128589 0.007855 LBFGSLineSearch: 2 01:15:47 -46.128596 0.002178 LBFGSLineSearch: 3 01:15:49 -46.128597 0.001127 LBFGSLineSearch: 4 01:15:50 -46.128597 0.001248 LBFGSLineSearch: 5 01:15:51 -46.128598 0.000736 LBFGSLineSearch: 6 01:15:54 -46.128598 0.001021 LBFGSLineSearch: 7 01:15:55 -46.128598 0.000752 LBFGSLineSearch: 8 01:15:55 -46.128598 0.000864 LBFGSLineSearch: 9 01:15:56 -46.128598 0.000762 LBFGSLineSearch: 10 01:15:57 -46.128598 0.000836 LBFGSLineSearch: 11 01:15:57 -46.128599 0.001208 LBFGSLineSearch: 12 01:15:57 -46.128599 0.000828 LBFGSLineSearch: 13 01:15:58 -46.128599 0.000298 LBFGSLineSearch: 14 01:15:58 -46.128599 0.000235 LBFGSLineSearch: 15 01:16:01 -46.128599 0.000328 LBFGSLineSearch: 16 01:16:02 -46.128599 0.000220 LBFGSLineSearch: 17 01:16:02 -46.128599 0.000166 LBFGSLineSearch: 18 01:16:03 -46.128599 0.000294 LBFGSLineSearch: 19 01:16:03 -46.128599 0.000332 LBFGSLineSearch: 20 01:16:04 -46.128599 0.000048 LBFGSLineSearch: 21 01:16:05 -46.128599 0.000045 LBFGSLineSearch: 22 01:16:05 -46.128599 0.000022 LBFGSLineSearch: 23 01:16:06 -46.128599 0.000014 LBFGSLineSearch: 24 01:16:07 -46.128599 0.000013 LBFGSLineSearch: 25 01:16:08 -46.128599 0.000002 Minimization converged after 25 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:16:19 -45.957593 0.017101 LBFGSLineSearch: 1 01:16:20 -45.957704 0.008750 LBFGSLineSearch: 2 01:16:21 -45.957713 0.002445 LBFGSLineSearch: 3 01:16:21 -45.957714 0.001254 LBFGSLineSearch: 4 01:16:23 -45.957714 0.001381 LBFGSLineSearch: 5 01:16:26 -45.957715 0.000822 LBFGSLineSearch: 6 01:16:27 -45.957715 0.001166 LBFGSLineSearch: 7 01:16:29 -45.957715 0.000857 LBFGSLineSearch: 8 01:16:30 -45.957715 0.000926 LBFGSLineSearch: 9 01:16:31 -45.957716 0.000788 LBFGSLineSearch: 10 01:16:32 -45.957716 0.000909 LBFGSLineSearch: 11 01:16:35 -45.957716 0.001332 LBFGSLineSearch: 12 01:16:37 -45.957716 0.000919 LBFGSLineSearch: 13 01:16:40 -45.957717 0.000329 LBFGSLineSearch: 14 01:16:41 -45.957717 0.000261 LBFGSLineSearch: 15 01:16:43 -45.957717 0.000317 LBFGSLineSearch: 16 01:16:44 -45.957717 0.000253 LBFGSLineSearch: 17 01:16:45 -45.957717 0.000273 LBFGSLineSearch: 18 01:16:46 -45.957717 0.000351 LBFGSLineSearch: 19 01:16:46 -45.957717 0.000135 LBFGSLineSearch: 20 01:16:46 -45.957717 0.000053 LBFGSLineSearch: 21 01:16:47 -45.957717 0.000030 LBFGSLineSearch: 22 01:16:48 -45.957717 0.000014 LBFGSLineSearch: 23 01:16:50 -45.957717 0.000015 LBFGSLineSearch: 24 01:16:51 -45.957717 0.000000 Minimization converged after 24 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:17:04 -45.766046 0.019167 LBFGSLineSearch: 1 01:17:05 -45.766184 0.009764 LBFGSLineSearch: 2 01:17:06 -45.766195 0.002746 LBFGSLineSearch: 3 01:17:07 -45.766196 0.001395 LBFGSLineSearch: 4 01:17:07 -45.766197 0.001524 LBFGSLineSearch: 5 01:17:08 -45.766197 0.000919 LBFGSLineSearch: 6 01:17:09 -45.766198 0.001312 LBFGSLineSearch: 7 01:17:09 -45.766198 0.000973 LBFGSLineSearch: 8 01:17:10 -45.766198 0.000987 LBFGSLineSearch: 9 01:17:11 -45.766199 0.001089 LBFGSLineSearch: 10 01:17:12 -45.766199 0.001054 LBFGSLineSearch: 11 01:17:13 -45.766199 0.000718 LBFGSLineSearch: 12 01:17:16 -45.766200 0.000531 LBFGSLineSearch: 13 01:17:19 -45.766200 0.000363 LBFGSLineSearch: 14 01:17:20 -45.766200 0.000291 LBFGSLineSearch: 15 01:17:20 -45.766200 0.000308 LBFGSLineSearch: 16 01:17:21 -45.766200 0.000281 LBFGSLineSearch: 17 01:17:22 -45.766200 0.000222 LBFGSLineSearch: 18 01:17:22 -45.766200 0.000367 LBFGSLineSearch: 19 01:17:23 -45.766200 0.000446 LBFGSLineSearch: 20 01:17:23 -45.766200 0.000059 LBFGSLineSearch: 21 01:17:23 -45.766200 0.000016 LBFGSLineSearch: 22 01:17:23 -45.766200 0.000016 LBFGSLineSearch: 23 01:17:24 -45.766200 0.000000 Minimization converged after 23 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:17:36 -45.551402 0.021480 LBFGSLineSearch: 1 01:17:39 -45.551574 0.010879 LBFGSLineSearch: 2 01:17:42 -45.551588 0.003086 LBFGSLineSearch: 3 01:17:46 -45.551590 0.001552 LBFGSLineSearch: 4 01:17:48 -45.551590 0.001676 LBFGSLineSearch: 5 01:17:51 -45.551591 0.001029 LBFGSLineSearch: 6 01:17:54 -45.551591 0.001450 LBFGSLineSearch: 7 01:17:54 -45.551591 0.001091 LBFGSLineSearch: 8 01:17:56 -45.551591 0.001055 LBFGSLineSearch: 9 01:17:57 -45.551592 0.001162 LBFGSLineSearch: 10 01:17:57 -45.551593 0.001167 LBFGSLineSearch: 11 01:18:00 -45.551594 0.000515 LBFGSLineSearch: 12 01:18:00 -45.551594 0.000358 LBFGSLineSearch: 13 01:18:01 -45.551594 0.000330 LBFGSLineSearch: 14 01:18:01 -45.551594 0.000351 LBFGSLineSearch: 15 01:18:01 -45.551594 0.000342 LBFGSLineSearch: 16 01:18:02 -45.551594 0.000417 LBFGSLineSearch: 17 01:18:02 -45.551594 0.000073 LBFGSLineSearch: 18 01:18:02 -45.551594 0.000093 LBFGSLineSearch: 19 01:18:03 -45.551594 0.000017 LBFGSLineSearch: 20 01:18:04 -45.551594 0.000019 LBFGSLineSearch: 21 01:18:05 -45.551594 0.000008 Minimization converged after 21 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:19 -45.310921 0.024073 LBFGSLineSearch: 1 01:18:23 -45.311136 0.012144 LBFGSLineSearch: 2 01:18:24 -45.311153 0.003469 LBFGSLineSearch: 3 01:18:26 -45.311155 0.001727 LBFGSLineSearch: 4 01:18:27 -45.311156 0.001839 LBFGSLineSearch: 5 01:18:28 -45.311156 0.001156 LBFGSLineSearch: 6 01:18:29 -45.311157 0.001564 LBFGSLineSearch: 7 01:18:29 -45.311157 0.001199 LBFGSLineSearch: 8 01:18:31 -45.311158 0.001139 LBFGSLineSearch: 9 01:18:32 -45.311158 0.001227 LBFGSLineSearch: 10 01:18:33 -45.311159 0.001282 LBFGSLineSearch: 11 01:18:34 -45.311160 0.000553 LBFGSLineSearch: 12 01:18:34 -45.311160 0.000362 LBFGSLineSearch: 13 01:18:34 -45.311160 0.000364 LBFGSLineSearch: 14 01:18:35 -45.311160 0.000405 LBFGSLineSearch: 15 01:18:37 -45.311160 0.000310 LBFGSLineSearch: 16 01:18:37 -45.311160 0.000381 LBFGSLineSearch: 17 01:18:37 -45.311160 0.000497 LBFGSLineSearch: 18 01:18:38 -45.311160 0.000076 LBFGSLineSearch: 19 01:18:38 -45.311160 0.000032 LBFGSLineSearch: 20 01:18:38 -45.311160 0.000021 LBFGSLineSearch: 21 01:18:39 -45.311160 0.000019 LBFGSLineSearch: 22 01:18:39 -45.311160 0.000006 Minimization converged after 22 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:51 -45.041550 0.026965 LBFGSLineSearch: 1 01:18:52 -45.041818 0.013476 LBFGSLineSearch: 2 01:18:54 -45.041838 0.003894 LBFGSLineSearch: 3 01:18:58 -45.041841 0.001922 LBFGSLineSearch: 4 01:18:59 -45.041842 0.002007 LBFGSLineSearch: 5 01:19:00 -45.041843 0.001299 LBFGSLineSearch: 6 01:19:01 -45.041844 0.001654 LBFGSLineSearch: 7 01:19:01 -45.041844 0.001300 LBFGSLineSearch: 8 01:19:02 -45.041844 0.001243 LBFGSLineSearch: 9 01:19:03 -45.041845 0.001074 LBFGSLineSearch: 10 01:19:03 -45.041845 0.001252 LBFGSLineSearch: 11 01:19:05 -45.041846 0.001694 LBFGSLineSearch: 12 01:19:07 -45.041847 0.001308 LBFGSLineSearch: 13 01:19:09 -45.041847 0.000443 LBFGSLineSearch: 14 01:19:11 -45.041847 0.000397 LBFGSLineSearch: 15 01:19:12 -45.041847 0.000449 LBFGSLineSearch: 16 01:19:12 -45.041847 0.000418 LBFGSLineSearch: 17 01:19:13 -45.041847 0.000338 LBFGSLineSearch: 18 01:19:14 -45.041848 0.000358 LBFGSLineSearch: 19 01:19:14 -45.041848 0.000480 LBFGSLineSearch: 20 01:19:15 -45.041848 0.000591 LBFGSLineSearch: 21 01:19:16 -45.041848 0.000100 LBFGSLineSearch: 22 01:19:16 -45.041848 0.000070 LBFGSLineSearch: 23 01:19:17 -45.041848 0.000079 LBFGSLineSearch: 24 01:19:18 -45.041848 0.000052 LBFGSLineSearch: 25 01:19:18 -45.041848 0.000019 LBFGSLineSearch: 26 01:19:21 -45.041848 0.000020 LBFGSLineSearch: 27 01:19:23 -45.041848 0.000012 LBFGSLineSearch: 28 01:19:26 -45.041848 0.000000 Minimization converged after 28 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:40 -44.739886 0.030196 LBFGSLineSearch: 1 01:19:41 -44.740219 0.014977 LBFGSLineSearch: 2 01:19:43 -44.740244 0.004378 LBFGSLineSearch: 3 01:19:46 -44.740248 0.002136 LBFGSLineSearch: 4 01:19:47 -44.740248 0.002184 LBFGSLineSearch: 5 01:19:48 -44.740249 0.001460 LBFGSLineSearch: 6 01:19:48 -44.740251 0.001639 LBFGSLineSearch: 7 01:19:49 -44.740251 0.001384 LBFGSLineSearch: 8 01:19:49 -44.740251 0.001368 LBFGSLineSearch: 9 01:19:50 -44.740252 0.001218 LBFGSLineSearch: 10 01:19:51 -44.740253 0.001883 LBFGSLineSearch: 11 01:19:52 -44.740254 0.001246 LBFGSLineSearch: 12 01:19:54 -44.740254 0.001526 LBFGSLineSearch: 13 01:19:55 -44.740255 0.000563 LBFGSLineSearch: 14 01:19:56 -44.740255 0.000396 LBFGSLineSearch: 15 01:19:57 -44.740255 0.000470 LBFGSLineSearch: 16 01:19:58 -44.740255 0.000480 LBFGSLineSearch: 17 01:20:00 -44.740255 0.000442 LBFGSLineSearch: 18 01:20:03 -44.740255 0.000532 LBFGSLineSearch: 19 01:20:04 -44.740255 0.000458 LBFGSLineSearch: 20 01:20:07 -44.740255 0.000087 LBFGSLineSearch: 21 01:20:08 -44.740255 0.000041 LBFGSLineSearch: 22 01:20:08 -44.740255 0.000027 LBFGSLineSearch: 23 01:20:09 -44.740255 0.000024 LBFGSLineSearch: 24 01:20:10 -44.740255 0.000001 Minimization converged after 24 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:21 -44.402142 0.033811 LBFGSLineSearch: 1 01:20:23 -44.402556 0.016651 LBFGSLineSearch: 2 01:20:23 -44.402586 0.004914 LBFGSLineSearch: 3 01:20:24 -44.402590 0.002389 LBFGSLineSearch: 4 01:20:26 -44.402591 0.002366 LBFGSLineSearch: 5 01:20:26 -44.402593 0.001640 LBFGSLineSearch: 6 01:20:28 -44.402594 0.001638 LBFGSLineSearch: 7 01:20:28 -44.402595 0.001698 LBFGSLineSearch: 8 01:20:29 -44.402596 0.001687 LBFGSLineSearch: 9 01:20:29 -44.402598 0.001665 LBFGSLineSearch: 10 01:20:30 -44.402599 0.000718 LBFGSLineSearch: 11 01:20:30 -44.402599 0.000615 LBFGSLineSearch: 12 01:20:30 -44.402599 0.000505 LBFGSLineSearch: 13 01:20:31 -44.402599 0.000496 LBFGSLineSearch: 14 01:20:32 -44.402599 0.000556 LBFGSLineSearch: 15 01:20:32 -44.402600 0.000498 LBFGSLineSearch: 16 01:20:33 -44.402600 0.000453 LBFGSLineSearch: 17 01:20:34 -44.402600 0.000193 LBFGSLineSearch: 18 01:20:35 -44.402600 0.000114 LBFGSLineSearch: 19 01:20:38 -44.402600 0.000095 LBFGSLineSearch: 20 01:20:41 -44.402600 0.000054 LBFGSLineSearch: 21 01:20:42 -44.402600 0.000027 LBFGSLineSearch: 22 01:20:43 -44.402600 0.000002 Minimization converged after 22 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:56 -44.024105 0.037850 LBFGSLineSearch: 1 01:20:56 -44.024618 0.018429 LBFGSLineSearch: 2 01:20:56 -44.024655 0.005538 LBFGSLineSearch: 3 01:20:57 -44.024660 0.002659 LBFGSLineSearch: 4 01:20:57 -44.024662 0.002633 LBFGSLineSearch: 5 01:20:57 -44.024663 0.001804 LBFGSLineSearch: 6 01:20:58 -44.024665 0.001681 LBFGSLineSearch: 7 01:20:58 -44.024666 0.001584 LBFGSLineSearch: 8 01:20:59 -44.024667 0.002375 LBFGSLineSearch: 9 01:21:00 -44.024668 0.001677 LBFGSLineSearch: 10 01:21:02 -44.024669 0.001184 LBFGSLineSearch: 11 01:21:02 -44.024669 0.001561 LBFGSLineSearch: 12 01:21:04 -44.024670 0.001603 LBFGSLineSearch: 13 01:21:04 -44.024671 0.000457 LBFGSLineSearch: 14 01:21:05 -44.024671 0.000501 LBFGSLineSearch: 15 01:21:06 -44.024671 0.000553 LBFGSLineSearch: 16 01:21:06 -44.024671 0.000659 LBFGSLineSearch: 17 01:21:07 -44.024671 0.000446 LBFGSLineSearch: 18 01:21:08 -44.024671 0.000562 LBFGSLineSearch: 19 01:21:09 -44.024671 0.000494 LBFGSLineSearch: 20 01:21:09 -44.024671 0.000092 LBFGSLineSearch: 21 01:21:10 -44.024671 0.000095 LBFGSLineSearch: 22 01:21:10 -44.024671 0.000042 LBFGSLineSearch: 23 01:21:11 -44.024671 0.000033 LBFGSLineSearch: 24 01:21:11 -44.024671 0.000032 LBFGSLineSearch: 25 01:21:12 -44.024671 0.000012 LBFGSLineSearch: 26 01:21:12 -44.024671 0.000001 Minimization converged after 26 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:25 -43.601093 0.042358 LBFGSLineSearch: 1 01:21:26 -43.601728 0.020303 LBFGSLineSearch: 2 01:21:27 -43.601772 0.006217 LBFGSLineSearch: 3 01:21:29 -43.601778 0.002924 LBFGSLineSearch: 4 01:21:32 -43.601780 0.002898 LBFGSLineSearch: 5 01:21:36 -43.601782 0.001956 LBFGSLineSearch: 6 01:21:38 -43.601784 0.001813 LBFGSLineSearch: 7 01:21:38 -43.601785 0.001725 LBFGSLineSearch: 8 01:21:39 -43.601786 0.002556 LBFGSLineSearch: 9 01:21:40 -43.601787 0.001747 LBFGSLineSearch: 10 01:21:41 -43.601789 0.001245 LBFGSLineSearch: 11 01:21:42 -43.601789 0.001594 LBFGSLineSearch: 12 01:21:43 -43.601790 0.001685 LBFGSLineSearch: 13 01:21:45 -43.601790 0.000494 LBFGSLineSearch: 14 01:21:46 -43.601791 0.000495 LBFGSLineSearch: 15 01:21:47 -43.601791 0.000552 LBFGSLineSearch: 16 01:21:48 -43.601791 0.000740 LBFGSLineSearch: 17 01:21:48 -43.601791 0.000482 LBFGSLineSearch: 18 01:21:49 -43.601791 0.000679 LBFGSLineSearch: 19 01:21:50 -43.601791 0.000459 LBFGSLineSearch: 20 01:21:51 -43.601791 0.000133 LBFGSLineSearch: 21 01:21:51 -43.601791 0.000093 LBFGSLineSearch: 22 01:21:52 -43.601791 0.000049 LBFGSLineSearch: 23 01:21:53 -43.601791 0.000049 LBFGSLineSearch: 24 01:21:55 -43.601791 0.000029 LBFGSLineSearch: 25 01:21:56 -43.601791 0.000003 Minimization converged after 25 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:09 -43.127903 0.047390 LBFGSLineSearch: 1 01:22:11 -43.128687 0.022282 LBFGSLineSearch: 2 01:22:12 -43.128741 0.006973 LBFGSLineSearch: 3 01:22:12 -43.128748 0.003242 LBFGSLineSearch: 4 01:22:13 -43.128750 0.003202 LBFGSLineSearch: 5 01:22:14 -43.128752 0.002100 LBFGSLineSearch: 6 01:22:15 -43.128755 0.001933 LBFGSLineSearch: 7 01:22:17 -43.128756 0.001855 LBFGSLineSearch: 8 01:22:18 -43.128757 0.002561 LBFGSLineSearch: 9 01:22:22 -43.128758 0.001976 LBFGSLineSearch: 10 01:22:25 -43.128760 0.001684 LBFGSLineSearch: 11 01:22:28 -43.128761 0.001560 LBFGSLineSearch: 12 01:22:31 -43.128761 0.000954 LBFGSLineSearch: 13 01:22:33 -43.128761 0.000574 LBFGSLineSearch: 14 01:22:33 -43.128761 0.000640 LBFGSLineSearch: 15 01:22:34 -43.128762 0.000532 LBFGSLineSearch: 16 01:22:35 -43.128762 0.000586 LBFGSLineSearch: 17 01:22:36 -43.128762 0.000565 LBFGSLineSearch: 18 01:22:36 -43.128762 0.000560 LBFGSLineSearch: 19 01:22:36 -43.128762 0.000247 LBFGSLineSearch: 20 01:22:37 -43.128762 0.000143 LBFGSLineSearch: 21 01:22:37 -43.128762 0.000130 LBFGSLineSearch: 22 01:22:38 -43.128762 0.000073 LBFGSLineSearch: 23 01:22:38 -43.128762 0.000002 Minimization converged after 23 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:52 -42.598762 0.053000 LBFGSLineSearch: 1 01:22:53 -42.599730 0.024411 LBFGSLineSearch: 2 01:22:54 -42.599794 0.007815 LBFGSLineSearch: 3 01:22:54 -42.599802 0.003537 LBFGSLineSearch: 4 01:22:57 -42.599805 0.003505 LBFGSLineSearch: 5 01:22:58 -42.599807 0.002253 LBFGSLineSearch: 6 01:23:00 -42.599811 0.002056 LBFGSLineSearch: 7 01:23:01 -42.599812 0.001989 LBFGSLineSearch: 8 01:23:01 -42.599813 0.002484 LBFGSLineSearch: 9 01:23:01 -42.599814 0.002249 LBFGSLineSearch: 10 01:23:01 -42.599816 0.001784 LBFGSLineSearch: 11 01:23:02 -42.599817 0.001375 LBFGSLineSearch: 12 01:23:02 -42.599818 0.000841 LBFGSLineSearch: 13 01:23:02 -42.599818 0.000467 LBFGSLineSearch: 14 01:23:03 -42.599818 0.000486 LBFGSLineSearch: 15 01:23:03 -42.599818 0.000716 LBFGSLineSearch: 16 01:23:04 -42.599818 0.000594 LBFGSLineSearch: 17 01:23:04 -42.599818 0.000567 LBFGSLineSearch: 18 01:23:05 -42.599819 0.000230 LBFGSLineSearch: 19 01:23:05 -42.599819 0.000169 LBFGSLineSearch: 20 01:23:05 -42.599819 0.000133 LBFGSLineSearch: 21 01:23:05 -42.599819 0.000101 LBFGSLineSearch: 22 01:23:06 -42.599819 0.000071 LBFGSLineSearch: 23 01:23:06 -42.599819 0.000005 Minimization converged after 23 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:17 -42.007275 0.059256 LBFGSLineSearch: 1 01:23:20 -42.008465 0.026711 LBFGSLineSearch: 2 01:23:21 -42.008541 0.008751 LBFGSLineSearch: 3 01:23:22 -42.008552 0.003843 LBFGSLineSearch: 4 01:23:26 -42.008555 0.003828 LBFGSLineSearch: 5 01:23:29 -42.008558 0.002411 LBFGSLineSearch: 6 01:23:33 -42.008562 0.002177 LBFGSLineSearch: 7 01:23:34 -42.008562 0.002120 LBFGSLineSearch: 8 01:23:35 -42.008564 0.002315 LBFGSLineSearch: 9 01:23:35 -42.008566 0.002868 LBFGSLineSearch: 10 01:23:36 -42.008567 0.001887 LBFGSLineSearch: 11 01:23:36 -42.008568 0.001678 LBFGSLineSearch: 12 01:23:36 -42.008568 0.001629 LBFGSLineSearch: 13 01:23:37 -42.008569 0.000854 LBFGSLineSearch: 14 01:23:37 -42.008569 0.000483 LBFGSLineSearch: 15 01:23:37 -42.008569 0.000495 LBFGSLineSearch: 16 01:23:37 -42.008569 0.000686 LBFGSLineSearch: 17 01:23:38 -42.008570 0.000569 LBFGSLineSearch: 18 01:23:38 -42.008570 0.000575 LBFGSLineSearch: 19 01:23:39 -42.008570 0.000250 LBFGSLineSearch: 20 01:23:40 -42.008570 0.000178 LBFGSLineSearch: 21 01:23:42 -42.008570 0.000170 LBFGSLineSearch: 22 01:23:43 -42.008570 0.000130 LBFGSLineSearch: 23 01:23:44 -42.008570 0.000113 LBFGSLineSearch: 24 01:23:45 -42.008570 0.000101 LBFGSLineSearch: 25 01:23:47 -42.008570 0.000000 Minimization converged after 25 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:00 -41.346356 0.066221 LBFGSLineSearch: 1 01:24:00 -41.347818 0.029162 LBFGSLineSearch: 2 01:24:00 -41.347908 0.009786 LBFGSLineSearch: 3 01:24:00 -41.347921 0.004168 LBFGSLineSearch: 4 01:24:00 -41.347924 0.004168 LBFGSLineSearch: 5 01:24:01 -41.347928 0.002570 LBFGSLineSearch: 6 01:24:01 -41.347932 0.002295 LBFGSLineSearch: 7 01:24:02 -41.347933 0.002242 LBFGSLineSearch: 8 01:24:02 -41.347935 0.002140 LBFGSLineSearch: 9 01:24:02 -41.347938 0.001988 LBFGSLineSearch: 10 01:24:03 -41.347940 0.001636 LBFGSLineSearch: 11 01:24:03 -41.347940 0.001274 LBFGSLineSearch: 12 01:24:03 -41.347941 0.000577 LBFGSLineSearch: 13 01:24:04 -41.347941 0.000575 LBFGSLineSearch: 14 01:24:04 -41.347941 0.000617 LBFGSLineSearch: 15 01:24:05 -41.347941 0.000628 LBFGSLineSearch: 16 01:24:05 -41.347941 0.000487 LBFGSLineSearch: 17 01:24:06 -41.347941 0.000240 LBFGSLineSearch: 18 01:24:06 -41.347941 0.000215 LBFGSLineSearch: 19 01:24:06 -41.347941 0.000193 LBFGSLineSearch: 20 01:24:06 -41.347941 0.000179 LBFGSLineSearch: 21 01:24:07 -41.347941 0.000161 LBFGSLineSearch: 22 01:24:07 -41.347941 0.000137 LBFGSLineSearch: 23 01:24:07 -41.347941 0.000034 LBFGSLineSearch: 24 01:24:07 -41.347941 0.000007 Minimization converged after 24 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:21 -40.608172 0.073980 LBFGSLineSearch: 1 01:24:22 -40.609962 0.031776 LBFGSLineSearch: 2 01:24:24 -40.610068 0.010927 LBFGSLineSearch: 3 01:24:26 -40.610083 0.004597 LBFGSLineSearch: 4 01:24:27 -40.610088 0.004555 LBFGSLineSearch: 5 01:24:28 -40.610092 0.002713 LBFGSLineSearch: 6 01:24:29 -40.610097 0.002381 LBFGSLineSearch: 7 01:24:31 -40.610098 0.002395 LBFGSLineSearch: 8 01:24:31 -40.610100 0.002206 LBFGSLineSearch: 9 01:24:31 -40.610104 0.002246 LBFGSLineSearch: 10 01:24:32 -40.610106 0.001868 LBFGSLineSearch: 11 01:24:33 -40.610106 0.001342 LBFGSLineSearch: 12 01:24:33 -40.610106 0.000620 LBFGSLineSearch: 13 01:24:34 -40.610106 0.000563 LBFGSLineSearch: 14 01:24:35 -40.610107 0.000596 LBFGSLineSearch: 15 01:24:36 -40.610107 0.000568 LBFGSLineSearch: 16 01:24:36 -40.610107 0.000417 LBFGSLineSearch: 17 01:24:36 -40.610107 0.000230 LBFGSLineSearch: 18 01:24:37 -40.610107 0.000222 LBFGSLineSearch: 19 01:24:37 -40.610107 0.000223 LBFGSLineSearch: 20 01:24:37 -40.610107 0.000192 LBFGSLineSearch: 21 01:24:37 -40.610107 0.000175 LBFGSLineSearch: 22 01:24:38 -40.610107 0.000142 LBFGSLineSearch: 23 01:24:39 -40.610107 0.000001 Minimization converged after 23 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:51 -39.784063 0.082605 LBFGSLineSearch: 1 01:24:52 -39.786247 0.034505 LBFGSLineSearch: 2 01:24:54 -39.786373 0.012056 LBFGSLineSearch: 3 01:24:54 -39.786390 0.004863 LBFGSLineSearch: 4 01:24:54 -39.786396 0.004848 LBFGSLineSearch: 5 01:24:54 -39.786401 0.002819 LBFGSLineSearch: 6 01:24:54 -39.786406 0.002451 LBFGSLineSearch: 7 01:24:55 -39.786408 0.002477 LBFGSLineSearch: 8 01:24:55 -39.786410 0.002279 LBFGSLineSearch: 9 01:24:56 -39.786414 0.002424 LBFGSLineSearch: 10 01:24:56 -39.786416 0.001908 LBFGSLineSearch: 11 01:24:56 -39.786416 0.001652 LBFGSLineSearch: 12 01:24:57 -39.786416 0.000672 LBFGSLineSearch: 13 01:24:57 -39.786417 0.000500 LBFGSLineSearch: 14 01:24:57 -39.786417 0.000529 LBFGSLineSearch: 15 01:24:58 -39.786417 0.000512 LBFGSLineSearch: 16 01:24:58 -39.786417 0.000351 LBFGSLineSearch: 17 01:24:59 -39.786417 0.000214 LBFGSLineSearch: 18 01:24:59 -39.786417 0.000192 LBFGSLineSearch: 19 01:24:59 -39.786417 0.000175 LBFGSLineSearch: 20 01:24:59 -39.786417 0.000168 LBFGSLineSearch: 21 01:24:59 -39.786417 0.000161 LBFGSLineSearch: 22 01:24:59 -39.786417 0.000203 LBFGSLineSearch: 23 01:25:00 -39.786417 0.000001 Minimization converged after 23 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:25:15 -38.864465 0.092195 LBFGSLineSearch: 1 01:25:15 -38.867120 0.037355 LBFGSLineSearch: 2 01:25:15 -38.867265 0.013237 LBFGSLineSearch: 3 01:25:16 -38.867285 0.005054 LBFGSLineSearch: 4 01:25:16 -38.867292 0.005255 LBFGSLineSearch: 5 01:25:17 -38.867298 0.003003 LBFGSLineSearch: 6 01:25:17 -38.867304 0.002770 LBFGSLineSearch: 7 01:25:17 -38.867306 0.002577 LBFGSLineSearch: 8 01:25:18 -38.867308 0.002405 LBFGSLineSearch: 9 01:25:18 -38.867312 0.002625 LBFGSLineSearch: 10 01:25:18 -38.867315 0.002097 LBFGSLineSearch: 11 01:25:19 -38.867315 0.002137 LBFGSLineSearch: 12 01:25:20 -38.867316 0.000757 LBFGSLineSearch: 13 01:25:20 -38.867316 0.000436 LBFGSLineSearch: 14 01:25:21 -38.867316 0.000474 LBFGSLineSearch: 15 01:25:22 -38.867316 0.000464 LBFGSLineSearch: 16 01:25:23 -38.867316 0.000325 LBFGSLineSearch: 17 01:25:23 -38.867316 0.000188 LBFGSLineSearch: 18 01:25:24 -38.867316 0.000182 LBFGSLineSearch: 19 01:25:24 -38.867316 0.000145 LBFGSLineSearch: 20 01:25:24 -38.867316 0.000151 LBFGSLineSearch: 21 01:25:25 -38.867316 0.000163 LBFGSLineSearch: 22 01:25:25 -38.867316 0.000000 Minimization converged after 22 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:25:35 -37.838818 0.102850 LBFGSLineSearch: 1 01:25:38 -37.842038 0.040341 LBFGSLineSearch: 2 01:25:39 -37.842204 0.014495 LBFGSLineSearch: 3 01:25:40 -37.842228 0.005566 LBFGSLineSearch: 4 01:25:41 -37.842236 0.005714 LBFGSLineSearch: 5 01:25:42 -37.842243 0.003354 LBFGSLineSearch: 6 01:25:44 -37.842250 0.003216 LBFGSLineSearch: 7 01:25:44 -37.842252 0.002950 LBFGSLineSearch: 8 01:25:45 -37.842255 0.002588 LBFGSLineSearch: 9 01:25:46 -37.842260 0.002859 LBFGSLineSearch: 10 01:25:46 -37.842262 0.002441 LBFGSLineSearch: 11 01:25:46 -37.842263 0.002102 LBFGSLineSearch: 12 01:25:47 -37.842264 0.000857 LBFGSLineSearch: 13 01:25:47 -37.842264 0.000380 LBFGSLineSearch: 14 01:25:47 -37.842264 0.000538 LBFGSLineSearch: 15 01:25:47 -37.842264 0.000424 LBFGSLineSearch: 16 01:25:48 -37.842264 0.000291 LBFGSLineSearch: 17 01:25:48 -37.842264 0.000149 LBFGSLineSearch: 18 01:25:50 -37.842264 0.000127 LBFGSLineSearch: 19 01:25:51 -37.842264 0.000109 LBFGSLineSearch: 20 01:25:51 -37.842264 0.000115 LBFGSLineSearch: 21 01:25:52 -37.842264 0.000070 LBFGSLineSearch: 22 01:25:52 -37.842264 0.000018 LBFGSLineSearch: 23 01:25:53 -37.842264 0.000000 Minimization converged after 23 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:02 -36.695494 0.114677 LBFGSLineSearch: 1 01:26:03 -36.699384 0.043438 LBFGSLineSearch: 2 01:26:03 -36.699572 0.015681 LBFGSLineSearch: 3 01:26:03 -36.699600 0.006299 LBFGSLineSearch: 4 01:26:04 -36.699610 0.006201 LBFGSLineSearch: 5 01:26:04 -36.699618 0.003802 LBFGSLineSearch: 6 01:26:04 -36.699628 0.003736 LBFGSLineSearch: 7 01:26:04 -36.699630 0.003337 LBFGSLineSearch: 8 01:26:04 -36.699634 0.002851 LBFGSLineSearch: 9 01:26:05 -36.699639 0.003012 LBFGSLineSearch: 10 01:26:06 -36.699641 0.002138 LBFGSLineSearch: 11 01:26:07 -36.699643 0.002254 LBFGSLineSearch: 12 01:26:07 -36.699643 0.001516 LBFGSLineSearch: 13 01:26:08 -36.699644 0.000922 LBFGSLineSearch: 14 01:26:09 -36.699644 0.000449 LBFGSLineSearch: 15 01:26:09 -36.699644 0.000566 LBFGSLineSearch: 16 01:26:09 -36.699644 0.000427 LBFGSLineSearch: 17 01:26:09 -36.699644 0.000264 LBFGSLineSearch: 18 01:26:10 -36.699644 0.000129 LBFGSLineSearch: 19 01:26:10 -36.699644 0.000070 LBFGSLineSearch: 20 01:26:11 -36.699644 0.000054 LBFGSLineSearch: 21 01:26:11 -36.699644 0.000042 LBFGSLineSearch: 22 01:26:11 -36.699644 0.000040 LBFGSLineSearch: 23 01:26:12 -36.699644 0.000001 Minimization converged after 23 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:21 -35.421682 0.127796 LBFGSLineSearch: 1 01:26:22 -35.426364 0.046633 LBFGSLineSearch: 2 01:26:22 -35.426572 0.016775 LBFGSLineSearch: 3 01:26:23 -35.426604 0.007178 LBFGSLineSearch: 4 01:26:23 -35.426617 0.006719 LBFGSLineSearch: 5 01:26:24 -35.426626 0.004608 LBFGSLineSearch: 6 01:26:25 -35.426639 0.004346 LBFGSLineSearch: 7 01:26:27 -35.426642 0.004006 LBFGSLineSearch: 8 01:26:28 -35.426647 0.003315 LBFGSLineSearch: 9 01:26:29 -35.426653 0.003407 LBFGSLineSearch: 10 01:26:29 -35.426657 0.002848 LBFGSLineSearch: 11 01:26:30 -35.426658 0.002583 LBFGSLineSearch: 12 01:26:32 -35.426660 0.001379 LBFGSLineSearch: 13 01:26:33 -35.426660 0.000717 LBFGSLineSearch: 14 01:26:34 -35.426660 0.000797 LBFGSLineSearch: 15 01:26:35 -35.426660 0.000608 LBFGSLineSearch: 16 01:26:36 -35.426660 0.000334 LBFGSLineSearch: 17 01:26:37 -35.426660 0.000098 LBFGSLineSearch: 18 01:26:38 -35.426660 0.000131 LBFGSLineSearch: 19 01:26:38 -35.426660 0.000111 LBFGSLineSearch: 20 01:26:39 -35.426660 0.000112 LBFGSLineSearch: 21 01:26:39 -35.426660 0.000038 LBFGSLineSearch: 22 01:26:40 -35.426660 0.000001 Minimization converged after 22 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:50 -34.003273 0.142339 LBFGSLineSearch: 1 01:26:51 -34.008881 0.049866 LBFGSLineSearch: 2 01:26:51 -34.009102 0.017365 LBFGSLineSearch: 3 01:26:51 -34.009137 0.008228 LBFGSLineSearch: 4 01:26:52 -34.009153 0.007261 LBFGSLineSearch: 5 01:26:53 -34.009164 0.005601 LBFGSLineSearch: 6 01:26:54 -34.009181 0.005035 LBFGSLineSearch: 7 01:26:55 -34.009186 0.004637 LBFGSLineSearch: 8 01:26:56 -34.009193 0.004746 LBFGSLineSearch: 9 01:26:59 -34.009199 0.003594 LBFGSLineSearch: 10 01:27:01 -34.009203 0.003220 LBFGSLineSearch: 11 01:27:03 -34.009206 0.004241 LBFGSLineSearch: 12 01:27:04 -34.009211 0.002449 LBFGSLineSearch: 13 01:27:05 -34.009212 0.002012 LBFGSLineSearch: 14 01:27:07 -34.009214 0.001527 LBFGSLineSearch: 15 01:27:08 -34.009214 0.001039 LBFGSLineSearch: 16 01:27:09 -34.009215 0.000909 LBFGSLineSearch: 17 01:27:11 -34.009215 0.000785 LBFGSLineSearch: 18 01:27:14 -34.009215 0.000788 LBFGSLineSearch: 19 01:27:18 -34.009216 0.000573 LBFGSLineSearch: 20 01:27:19 -34.009216 0.000597 LBFGSLineSearch: 21 01:27:20 -34.009216 0.000596 LBFGSLineSearch: 22 01:27:20 -34.009216 0.000424 LBFGSLineSearch: 23 01:27:20 -34.009216 0.000358 LBFGSLineSearch: 24 01:27:20 -34.009216 0.000155 LBFGSLineSearch: 25 01:27:21 -34.009216 0.000012 LBFGSLineSearch: 26 01:27:21 -34.009216 0.000000 Minimization converged after 26 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:30 -32.424749 0.158447 LBFGSLineSearch: 1 01:27:31 -32.431445 0.053308 LBFGSLineSearch: 2 01:27:32 -32.431679 0.017915 LBFGSLineSearch: 3 01:27:34 -32.431719 0.009973 LBFGSLineSearch: 4 01:27:38 -32.431741 0.008977 LBFGSLineSearch: 5 01:27:40 -32.431759 0.008041 LBFGSLineSearch: 6 01:27:44 -32.431803 0.009753 LBFGSLineSearch: 7 01:27:48 -32.434696 0.194330 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 7 steps. Final forces: [[-1.74660819e-01 2.00195433e-19 8.72928603e-02] [ 1.74660819e-01 -2.00195433e-19 -8.72928603e-02] [ 5.32852558e-03 1.81195169e-19 1.12433288e-01] [-5.32852558e-03 -1.81195169e-19 -1.12433288e-01] [ 2.18067875e-02 -1.98830322e-19 -1.17719584e-01] [-2.18067875e-02 1.98830322e-19 1.17719584e-01] [-9.61968007e-02 2.08214388e-19 1.08269908e-01] [ 9.61968007e-02 -2.08214388e-19 -1.08269908e-01] [-3.27298813e-02 -1.76082494e-20 -1.75149096e-02] [ 3.27298813e-02 1.76082494e-20 1.75149096e-02]] Final stress: [-1.56348652e-01 -1.63306743e-01 -1.68427650e-01 7.50764250e-21 5.44172351e-03 -4.25498509e-20] Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:02 -30.677517 0.201524 LBFGSLineSearch: 1 01:28:03 -30.698208 0.505344 LBFGSLineSearch: 2 01:28:04 -30.702629 0.598124 LBFGSLineSearch: 3 01:28:05 -30.717921 0.287395 LBFGSLineSearch: 4 01:28:05 -30.722225 0.173356 LBFGSLineSearch: 5 01:28:06 -30.726740 0.108278 LBFGSLineSearch: 6 01:28:07 -30.728337 0.125199 LBFGSLineSearch: 7 01:28:08 -30.733015 0.108437 LBFGSLineSearch: 8 01:28:08 -30.735249 0.148072 LBFGSLineSearch: 9 01:28:10 -30.737303 0.054719 LBFGSLineSearch: 10 01:28:15 -30.738155 0.034610 LBFGSLineSearch: 11 01:28:20 -30.738376 0.031933 LBFGSLineSearch: 12 01:28:23 -30.738529 0.016475 LBFGSLineSearch: 13 01:28:23 -30.738554 0.006272 LBFGSLineSearch: 14 01:28:24 -30.738558 0.004812 LBFGSLineSearch: 15 01:28:24 -30.738561 0.003648 LBFGSLineSearch: 16 01:28:24 -30.738562 0.003255 LBFGSLineSearch: 17 01:28:24 -30.738563 0.003121 LBFGSLineSearch: 18 01:28:24 -30.738565 0.004311 LBFGSLineSearch: 19 01:28:24 -30.738568 0.002466 LBFGSLineSearch: 20 01:28:25 -30.738569 0.002206 LBFGSLineSearch: 21 01:28:25 -30.738570 0.001786 LBFGSLineSearch: 22 01:28:25 -30.738571 0.000379 LBFGSLineSearch: 23 01:28:25 -30.738571 0.000278 LBFGSLineSearch: 24 01:28:25 -30.738571 0.000274 LBFGSLineSearch: 25 01:28:26 -30.738571 0.000212 LBFGSLineSearch: 26 01:28:26 -30.738571 0.000148 LBFGSLineSearch: 27 01:28:26 -30.738571 0.000191 LBFGSLineSearch: 28 01:28:26 -30.738571 0.000152 LBFGSLineSearch: 29 01:28:26 -30.738571 0.000199 LBFGSLineSearch: 30 01:28:26 -30.738571 0.000263 LBFGSLineSearch: 31 01:28:27 -30.738571 0.000000 Minimization converged after 31 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:40 -28.780799 0.195777 LBFGSLineSearch: 1 01:28:41 -28.790189 0.064327 LBFGSLineSearch: 2 01:28:41 -28.790543 0.017450 LBFGSLineSearch: 3 01:28:42 -28.790615 0.015057 LBFGSLineSearch: 4 01:28:42 -28.790650 0.013761 LBFGSLineSearch: 5 01:28:44 -28.790672 0.008663 LBFGSLineSearch: 6 01:28:44 -28.790693 0.006793 LBFGSLineSearch: 7 01:28:47 -28.790705 0.012393 LBFGSLineSearch: 8 01:28:48 -28.790753 0.010403 LBFGSLineSearch: 9 01:28:49 -28.790764 0.008606 LBFGSLineSearch: 10 01:28:49 -28.790769 0.004749 LBFGSLineSearch: 11 01:28:49 -28.790772 0.003417 LBFGSLineSearch: 12 01:28:50 -28.790773 0.003190 LBFGSLineSearch: 13 01:28:50 -28.790773 0.002738 LBFGSLineSearch: 14 01:28:50 -28.790776 0.002910 LBFGSLineSearch: 15 01:28:50 -28.790777 0.002936 LBFGSLineSearch: 16 01:28:51 -28.790778 0.002628 LBFGSLineSearch: 17 01:28:51 -28.790779 0.002113 LBFGSLineSearch: 18 01:28:51 -28.790779 0.001395 LBFGSLineSearch: 19 01:28:51 -28.790779 0.000986 LBFGSLineSearch: 20 01:28:52 -28.790780 0.000852 LBFGSLineSearch: 21 01:28:52 -28.790780 0.000683 LBFGSLineSearch: 22 01:28:53 -28.790780 0.000366 LBFGSLineSearch: 23 01:28:54 -28.790780 0.000197 LBFGSLineSearch: 24 01:28:55 -28.790780 0.000101 LBFGSLineSearch: 25 01:28:55 -28.790780 0.000037 LBFGSLineSearch: 26 01:28:56 -28.790780 0.000030 LBFGSLineSearch: 27 01:28:57 -28.790780 0.000028 LBFGSLineSearch: 28 01:28:57 -28.790780 0.000030 LBFGSLineSearch: 29 01:28:58 -28.790780 0.000001 Minimization converged after 29 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:09 -26.615410 0.217537 LBFGSLineSearch: 1 01:29:09 -26.626483 0.067752 LBFGSLineSearch: 2 01:29:10 -26.626863 0.018946 LBFGSLineSearch: 3 01:29:11 -26.626943 0.016411 LBFGSLineSearch: 4 01:29:11 -26.626982 0.015475 LBFGSLineSearch: 5 01:29:12 -26.627008 0.010419 LBFGSLineSearch: 6 01:29:13 -26.627036 0.008110 LBFGSLineSearch: 7 01:29:14 -26.627078 0.017226 LBFGSLineSearch: 8 01:29:15 -26.627121 0.009813 LBFGSLineSearch: 9 01:29:16 -26.627133 0.006281 LBFGSLineSearch: 10 01:29:17 -26.627137 0.003639 LBFGSLineSearch: 11 01:29:17 -26.627140 0.003961 LBFGSLineSearch: 12 01:29:17 -26.627144 0.003541 LBFGSLineSearch: 13 01:29:18 -26.627146 0.001667 LBFGSLineSearch: 14 01:29:18 -26.627146 0.000937 LBFGSLineSearch: 15 01:29:18 -26.627146 0.000859 LBFGSLineSearch: 16 01:29:19 -26.627146 0.000208 LBFGSLineSearch: 17 01:29:19 -26.627146 0.000049 LBFGSLineSearch: 18 01:29:20 -26.627146 0.000048 LBFGSLineSearch: 19 01:29:21 -26.627146 0.000012 LBFGSLineSearch: 20 01:29:22 -26.627146 0.000000 Minimization converged after 20 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:30 -24.211417 0.241573 LBFGSLineSearch: 1 01:29:31 -24.224435 0.071065 LBFGSLineSearch: 2 01:29:32 -24.224840 0.020696 LBFGSLineSearch: 3 01:29:32 -24.224929 0.017787 LBFGSLineSearch: 4 01:29:32 -24.224974 0.017278 LBFGSLineSearch: 5 01:29:34 -24.225006 0.012813 LBFGSLineSearch: 6 01:29:35 -24.225043 0.011426 LBFGSLineSearch: 7 01:29:36 -24.225103 0.025520 LBFGSLineSearch: 8 01:29:37 -24.225158 0.008612 LBFGSLineSearch: 9 01:29:38 -24.225167 0.004449 LBFGSLineSearch: 10 01:29:38 -24.225170 0.004406 LBFGSLineSearch: 11 01:29:39 -24.225171 0.004286 LBFGSLineSearch: 12 01:29:42 -24.225173 0.004364 LBFGSLineSearch: 13 01:29:45 -24.225180 0.002874 LBFGSLineSearch: 14 01:29:45 -24.225181 0.003016 LBFGSLineSearch: 15 01:29:46 -24.225182 0.002031 LBFGSLineSearch: 16 01:29:46 -24.225182 0.000851 LBFGSLineSearch: 17 01:29:48 -24.225182 0.000553 LBFGSLineSearch: 18 01:29:50 -24.225182 0.000445 LBFGSLineSearch: 19 01:29:52 -24.225182 0.000361 LBFGSLineSearch: 20 01:29:52 -24.225182 0.000191 LBFGSLineSearch: 21 01:29:53 -24.225182 0.000140 LBFGSLineSearch: 22 01:29:53 -24.225182 0.000055 LBFGSLineSearch: 23 01:29:55 -24.225182 0.000046 LBFGSLineSearch: 24 01:29:56 -24.225182 0.000047 LBFGSLineSearch: 25 01:29:56 -24.225182 0.000050 LBFGSLineSearch: 26 01:29:56 -24.225182 0.000021 LBFGSLineSearch: 27 01:29:56 -24.225182 0.000000 Minimization converged after 27 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:07 -21.544146 0.268104 LBFGSLineSearch: 1 01:30:09 -21.559403 0.074197 LBFGSLineSearch: 2 01:30:09 -21.559746 0.037967 LBFGSLineSearch: 3 01:30:10 -21.559879 0.020635 LBFGSLineSearch: 4 01:30:10 -21.559942 0.020000 LBFGSLineSearch: 5 01:30:11 -21.559998 0.018468 LBFGSLineSearch: 6 01:30:12 -21.560054 0.011681 LBFGSLineSearch: 7 01:30:12 -21.560096 0.018268 LBFGSLineSearch: 8 01:30:13 -21.560164 0.029025 LBFGSLineSearch: 9 01:30:14 -21.560223 0.009318 LBFGSLineSearch: 10 01:30:16 -21.560231 0.005693 LBFGSLineSearch: 11 01:30:18 -21.560234 0.004809 LBFGSLineSearch: 12 01:30:19 -21.560245 0.005448 LBFGSLineSearch: 13 01:30:20 -21.560247 0.003432 LBFGSLineSearch: 14 01:30:20 -21.560248 0.001802 LBFGSLineSearch: 15 01:30:20 -21.560249 0.000874 LBFGSLineSearch: 16 01:30:21 -21.560249 0.000429 LBFGSLineSearch: 17 01:30:21 -21.560249 0.000256 LBFGSLineSearch: 18 01:30:21 -21.560249 0.000162 LBFGSLineSearch: 19 01:30:22 -21.560249 0.000085 LBFGSLineSearch: 20 01:30:22 -21.560249 0.000065 LBFGSLineSearch: 21 01:30:22 -21.560249 0.000075 LBFGSLineSearch: 22 01:30:23 -21.560249 0.000033 LBFGSLineSearch: 23 01:30:23 -21.560249 0.000031 LBFGSLineSearch: 24 01:30:24 -21.560249 0.000000 Minimization converged after 24 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:39 -18.586585 0.297366 LBFGSLineSearch: 1 01:30:41 -18.604411 0.077072 LBFGSLineSearch: 2 01:30:41 -18.604783 0.038269 LBFGSLineSearch: 3 01:30:41 -18.604917 0.023327 LBFGSLineSearch: 4 01:30:42 -18.604987 0.021355 LBFGSLineSearch: 5 01:30:43 -18.605056 0.021254 LBFGSLineSearch: 6 01:30:44 -18.605139 0.012506 LBFGSLineSearch: 7 01:30:45 -18.605190 0.022032 LBFGSLineSearch: 8 01:30:46 -18.605290 0.031360 LBFGSLineSearch: 9 01:30:46 -18.605344 0.009228 LBFGSLineSearch: 10 01:30:47 -18.605353 0.006482 LBFGSLineSearch: 11 01:30:48 -18.605356 0.005408 LBFGSLineSearch: 12 01:30:51 -18.605371 0.005122 LBFGSLineSearch: 13 01:30:53 -18.605374 0.002391 LBFGSLineSearch: 14 01:30:54 -18.605375 0.001230 LBFGSLineSearch: 15 01:30:54 -18.605375 0.000536 LBFGSLineSearch: 16 01:30:55 -18.605375 0.000449 LBFGSLineSearch: 17 01:30:55 -18.605375 0.000206 LBFGSLineSearch: 18 01:30:57 -18.605375 0.000149 LBFGSLineSearch: 19 01:30:58 -18.605375 0.000086 LBFGSLineSearch: 20 01:30:58 -18.605375 0.000050 LBFGSLineSearch: 21 01:30:59 -18.605375 0.000052 LBFGSLineSearch: 22 01:30:59 -18.605375 0.000000 Minimization converged after 22 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:09 -15.309188 0.329619 LBFGSLineSearch: 1 01:31:11 -15.325983 0.160307 LBFGSLineSearch: 2 01:31:13 -15.330326 0.037238 LBFGSLineSearch: 3 01:31:14 -15.330476 0.025913 LBFGSLineSearch: 4 01:31:15 -15.330576 0.024024 LBFGSLineSearch: 5 01:31:16 -15.330675 0.024545 LBFGSLineSearch: 6 01:31:17 -15.330766 0.020169 LBFGSLineSearch: 7 01:31:18 -15.330887 0.023124 LBFGSLineSearch: 8 01:31:20 -15.330975 0.016126 LBFGSLineSearch: 9 01:31:21 -15.330997 0.006991 LBFGSLineSearch: 10 01:31:22 -15.331003 0.008137 LBFGSLineSearch: 11 01:31:23 -15.331010 0.006282 LBFGSLineSearch: 12 01:31:23 -15.331021 0.010372 LBFGSLineSearch: 13 01:31:25 -15.331027 0.003735 LBFGSLineSearch: 14 01:31:25 -15.331029 0.001603 LBFGSLineSearch: 15 01:31:26 -15.331029 0.000659 LBFGSLineSearch: 16 01:31:26 -15.331029 0.000326 LBFGSLineSearch: 17 01:31:26 -15.331029 0.000165 LBFGSLineSearch: 18 01:31:27 -15.331029 0.000085 LBFGSLineSearch: 19 01:31:27 -15.331029 0.000043 LBFGSLineSearch: 20 01:31:28 -15.331029 0.000056 LBFGSLineSearch: 21 01:31:29 -15.331029 0.000000 Minimization converged after 21 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:41 -11.679536 0.365149 LBFGSLineSearch: 1 01:31:42 -11.699672 0.166411 LBFGSLineSearch: 2 01:31:42 -11.703966 0.034478 LBFGSLineSearch: 3 01:31:43 -11.704119 0.030042 LBFGSLineSearch: 4 01:31:43 -11.704235 0.028936 LBFGSLineSearch: 5 01:31:43 -11.704388 0.025213 LBFGSLineSearch: 6 01:31:43 -11.704500 0.028748 LBFGSLineSearch: 7 01:31:43 -11.704671 0.038266 LBFGSLineSearch: 8 01:31:44 -11.704762 0.016182 LBFGSLineSearch: 9 01:31:44 -11.704784 0.008184 LBFGSLineSearch: 10 01:31:44 -11.704791 0.006923 LBFGSLineSearch: 11 01:31:44 -11.704804 0.010567 LBFGSLineSearch: 12 01:31:45 -11.704812 0.006152 LBFGSLineSearch: 13 01:31:46 -11.704815 0.002409 LBFGSLineSearch: 14 01:31:46 -11.704816 0.000901 LBFGSLineSearch: 15 01:31:46 -11.704816 0.000498 LBFGSLineSearch: 16 01:31:47 -11.704816 0.000258 LBFGSLineSearch: 17 01:31:47 -11.704816 0.000093 LBFGSLineSearch: 18 01:31:47 -11.704816 0.000035 LBFGSLineSearch: 19 01:31:47 -11.704816 0.000006 Minimization converged after 19 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:00 -7.662105 0.404271 LBFGSLineSearch: 1 01:32:00 -7.686152 0.170573 LBFGSLineSearch: 2 01:32:01 -7.690266 0.032287 LBFGSLineSearch: 3 01:32:01 -7.690433 0.034647 LBFGSLineSearch: 4 01:32:02 -7.690576 0.033917 LBFGSLineSearch: 5 01:32:03 -7.690811 0.023299 LBFGSLineSearch: 6 01:32:04 -7.690953 0.038289 LBFGSLineSearch: 7 01:32:06 -7.691184 0.029497 LBFGSLineSearch: 8 01:32:08 -7.691261 0.015574 LBFGSLineSearch: 9 01:32:09 -7.691273 0.008629 LBFGSLineSearch: 10 01:32:09 -7.691278 0.008580 LBFGSLineSearch: 11 01:32:10 -7.691285 0.011437 LBFGSLineSearch: 12 01:32:10 -7.691303 0.005181 LBFGSLineSearch: 13 01:32:11 -7.691309 0.002157 LBFGSLineSearch: 14 01:32:11 -7.691309 0.001661 LBFGSLineSearch: 15 01:32:11 -7.691309 0.001041 LBFGSLineSearch: 16 01:32:11 -7.691309 0.000510 LBFGSLineSearch: 17 01:32:12 -7.691309 0.000333 LBFGSLineSearch: 18 01:32:12 -7.691309 0.000232 LBFGSLineSearch: 19 01:32:12 -7.691309 0.000071 LBFGSLineSearch: 20 01:32:13 -7.691309 0.000047 LBFGSLineSearch: 21 01:32:14 -7.691309 0.000038 LBFGSLineSearch: 22 01:32:15 -7.691309 0.000008 Minimization converged after 22 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:25 -3.218114 0.447320 LBFGSLineSearch: 1 01:32:26 -3.246697 0.171721 LBFGSLineSearch: 2 01:32:26 -3.250466 0.035060 LBFGSLineSearch: 3 01:32:28 -3.250661 0.039101 LBFGSLineSearch: 4 01:32:31 -3.250833 0.036600 LBFGSLineSearch: 5 01:32:34 -3.251161 0.032402 LBFGSLineSearch: 6 01:32:38 -3.251356 0.043549 LBFGSLineSearch: 7 01:32:39 -3.251598 0.034813 LBFGSLineSearch: 8 01:32:41 -3.251685 0.009837 LBFGSLineSearch: 9 01:32:42 -3.251693 0.008674 LBFGSLineSearch: 10 01:32:45 -3.251710 0.007252 LBFGSLineSearch: 11 01:32:45 -3.251721 0.006735 LBFGSLineSearch: 12 01:32:45 -3.251726 0.003693 LBFGSLineSearch: 13 01:32:45 -3.251727 0.001498 LBFGSLineSearch: 14 01:32:46 -3.251727 0.000907 LBFGSLineSearch: 15 01:32:46 -3.251727 0.000687 LBFGSLineSearch: 16 01:32:46 -3.251727 0.000178 LBFGSLineSearch: 17 01:32:46 -3.251727 0.000088 LBFGSLineSearch: 18 01:32:47 -3.251727 0.000079 LBFGSLineSearch: 19 01:32:47 -3.251727 0.000081 LBFGSLineSearch: 20 01:32:47 -3.251727 0.000032 LBFGSLineSearch: 21 01:32:48 -3.251727 0.000000 Minimization converged after 21 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:01 1.694932 0.494666 LBFGSLineSearch: 1 01:33:04 1.661124 0.168966 LBFGSLineSearch: 2 01:33:06 1.657860 0.038988 LBFGSLineSearch: 3 01:33:06 1.657612 0.043745 LBFGSLineSearch: 4 01:33:07 1.657404 0.045096 LBFGSLineSearch: 5 01:33:08 1.656984 0.041961 LBFGSLineSearch: 6 01:33:10 1.656656 0.047210 LBFGSLineSearch: 7 01:33:11 1.656408 0.036371 LBFGSLineSearch: 8 01:33:12 1.656281 0.012302 LBFGSLineSearch: 9 01:33:13 1.656270 0.010177 LBFGSLineSearch: 10 01:33:16 1.656245 0.010620 LBFGSLineSearch: 11 01:33:17 1.656229 0.005841 LBFGSLineSearch: 12 01:33:19 1.656225 0.003381 LBFGSLineSearch: 13 01:33:21 1.656223 0.002383 LBFGSLineSearch: 14 01:33:25 1.656223 0.001212 LBFGSLineSearch: 15 01:33:26 1.656223 0.000706 LBFGSLineSearch: 16 01:33:26 1.656223 0.000352 LBFGSLineSearch: 17 01:33:26 1.656223 0.000216 LBFGSLineSearch: 18 01:33:27 1.656223 0.000198 LBFGSLineSearch: 19 01:33:28 1.656223 0.000161 LBFGSLineSearch: 20 01:33:29 1.656223 0.000171 LBFGSLineSearch: 21 01:33:29 1.656223 0.000011 LBFGSLineSearch: 22 01:33:30 1.656223 0.000003 Minimization converged after 22 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:40 7.122974 0.546675 LBFGSLineSearch: 1 01:33:42 7.083197 0.160743 LBFGSLineSearch: 2 01:33:43 7.080600 0.041963 LBFGSLineSearch: 3 01:33:44 7.080278 0.047141 LBFGSLineSearch: 4 01:33:44 7.079944 0.047331 LBFGSLineSearch: 5 01:33:46 7.079475 0.065175 LBFGSLineSearch: 6 01:33:46 7.078423 0.064737 LBFGSLineSearch: 7 01:33:47 7.078071 0.049122 LBFGSLineSearch: 8 01:33:48 7.077776 0.026394 LBFGSLineSearch: 9 01:33:49 7.077717 0.026868 LBFGSLineSearch: 10 01:33:49 7.077606 0.022007 LBFGSLineSearch: 11 01:33:50 7.077490 0.026155 LBFGSLineSearch: 12 01:33:50 7.077448 0.010729 LBFGSLineSearch: 13 01:33:52 7.077438 0.006365 LBFGSLineSearch: 14 01:33:54 7.077435 0.001896 LBFGSLineSearch: 15 01:33:55 7.077435 0.001497 LBFGSLineSearch: 16 01:33:56 7.077435 0.000752 LBFGSLineSearch: 17 01:33:59 7.077434 0.000687 LBFGSLineSearch: 18 01:34:03 7.077434 0.000676 LBFGSLineSearch: 19 01:34:06 7.077434 0.000481 LBFGSLineSearch: 20 01:34:07 7.077434 0.000051 LBFGSLineSearch: 21 01:34:07 7.077434 0.000004 Minimization converged after 21 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:16 13.113689 0.603626 LBFGSLineSearch: 1 01:34:17 13.067250 0.137606 LBFGSLineSearch: 2 01:34:18 13.065495 0.031798 LBFGSLineSearch: 3 01:34:19 13.065387 0.035212 LBFGSLineSearch: 4 01:34:20 13.065182 0.040227 LBFGSLineSearch: 5 01:34:22 13.065029 0.051932 LBFGSLineSearch: 6 01:34:24 13.064840 0.015976 LBFGSLineSearch: 7 01:34:26 13.064811 0.018506 LBFGSLineSearch: 8 01:34:29 13.064767 0.012573 LBFGSLineSearch: 9 01:34:32 13.064733 0.013383 LBFGSLineSearch: 10 01:34:33 13.064713 0.010056 LBFGSLineSearch: 11 01:34:34 13.064702 0.006795 LBFGSLineSearch: 12 01:34:34 13.064698 0.001433 LBFGSLineSearch: 13 01:34:35 13.064698 0.000878 LBFGSLineSearch: 14 01:34:35 13.064698 0.000541 LBFGSLineSearch: 15 01:34:36 13.064698 0.000325 LBFGSLineSearch: 16 01:34:37 13.064698 0.000082 LBFGSLineSearch: 17 01:34:40 13.064698 0.000033 LBFGSLineSearch: 18 01:34:42 13.064698 0.000029 LBFGSLineSearch: 19 01:34:43 13.064698 0.000027 LBFGSLineSearch: 20 01:34:43 13.064698 0.000000 Minimization converged after 20 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:54 19.732220 0.666752 LBFGSLineSearch: 1 01:34:54 19.678438 0.108461 LBFGSLineSearch: 2 01:34:58 19.677485 0.030349 LBFGSLineSearch: 3 01:35:01 19.677394 0.034845 LBFGSLineSearch: 4 01:35:02 19.677275 0.030009 LBFGSLineSearch: 5 01:35:03 19.677166 0.046831 LBFGSLineSearch: 6 01:35:03 19.677042 0.016051 LBFGSLineSearch: 7 01:35:04 19.677019 0.011869 LBFGSLineSearch: 8 01:35:06 19.676995 0.010143 LBFGSLineSearch: 9 01:35:08 19.676982 0.009438 LBFGSLineSearch: 10 01:35:08 19.676971 0.009144 LBFGSLineSearch: 11 01:35:11 19.676963 0.005699 LBFGSLineSearch: 12 01:35:13 19.676960 0.000774 LBFGSLineSearch: 13 01:35:13 19.676960 0.000334 LBFGSLineSearch: 14 01:35:14 19.676960 0.000243 LBFGSLineSearch: 15 01:35:14 19.676960 0.000026 LBFGSLineSearch: 16 01:35:15 19.676960 0.000022 LBFGSLineSearch: 17 01:35:15 19.676960 0.000009 Minimization converged after 17 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:29 27.039145 0.736220 LBFGSLineSearch: 1 01:35:30 26.977395 0.068621 LBFGSLineSearch: 2 01:35:30 26.977071 0.030257 LBFGSLineSearch: 3 01:35:31 26.977000 0.034050 LBFGSLineSearch: 4 01:35:32 26.976898 0.029585 LBFGSLineSearch: 5 01:35:35 26.976808 0.046791 LBFGSLineSearch: 6 01:35:35 26.976716 0.014857 LBFGSLineSearch: 7 01:35:36 26.976695 0.010008 LBFGSLineSearch: 8 01:35:36 26.976679 0.008239 LBFGSLineSearch: 9 01:35:38 26.976672 0.007298 LBFGSLineSearch: 10 01:35:39 26.976663 0.007312 LBFGSLineSearch: 11 01:35:40 26.976659 0.005168 LBFGSLineSearch: 12 01:35:40 26.976658 0.001424 LBFGSLineSearch: 13 01:35:41 26.976658 0.000238 LBFGSLineSearch: 14 01:35:41 26.976658 0.000127 LBFGSLineSearch: 15 01:35:42 26.976658 0.000028 LBFGSLineSearch: 16 01:35:44 26.976658 0.000016 LBFGSLineSearch: 17 01:35:45 26.976658 0.000000 Minimization converged after 17 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:58 35.102637 0.812598 LBFGSLineSearch: 1 01:36:01 35.032477 0.052078 LBFGSLineSearch: 2 01:36:02 35.032337 0.030720 LBFGSLineSearch: 3 01:36:03 35.032273 0.030106 LBFGSLineSearch: 4 01:36:04 35.032190 0.030594 LBFGSLineSearch: 5 01:36:06 35.032120 0.041791 LBFGSLineSearch: 6 01:36:08 35.032041 0.012151 LBFGSLineSearch: 7 01:36:09 35.032021 0.008223 LBFGSLineSearch: 8 01:36:10 35.032013 0.007412 LBFGSLineSearch: 9 01:36:10 35.032009 0.005959 LBFGSLineSearch: 10 01:36:12 35.032003 0.005209 LBFGSLineSearch: 11 01:36:13 35.031999 0.002514 LBFGSLineSearch: 12 01:36:13 35.031999 0.000490 LBFGSLineSearch: 13 01:36:13 35.031999 0.000101 LBFGSLineSearch: 14 01:36:14 35.031999 0.000061 LBFGSLineSearch: 15 01:36:14 35.031999 0.000012 LBFGSLineSearch: 16 01:36:14 35.031999 0.000008 Minimization converged after 16 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:26 43.997353 0.896538 LBFGSLineSearch: 1 01:36:27 43.917977 0.049736 LBFGSLineSearch: 2 01:36:27 43.917841 0.029891 LBFGSLineSearch: 3 01:36:28 43.917793 0.030093 LBFGSLineSearch: 4 01:36:29 43.917719 0.030104 LBFGSLineSearch: 5 01:36:33 43.917667 0.031977 LBFGSLineSearch: 6 01:36:35 43.917599 0.017018 LBFGSLineSearch: 7 01:36:35 43.917585 0.007541 LBFGSLineSearch: 8 01:36:36 43.917576 0.007219 LBFGSLineSearch: 9 01:36:36 43.917572 0.006404 LBFGSLineSearch: 10 01:36:36 43.917569 0.004711 LBFGSLineSearch: 11 01:36:37 43.917564 0.005334 LBFGSLineSearch: 12 01:36:37 43.917562 0.002010 LBFGSLineSearch: 13 01:36:37 43.917561 0.000823 LBFGSLineSearch: 14 01:36:38 43.917561 0.000048 LBFGSLineSearch: 15 01:36:39 43.917561 0.000005 Minimization converged after 15 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:51 53.804923 0.988737 LBFGSLineSearch: 1 01:36:51 53.715225 0.047180 LBFGSLineSearch: 2 01:36:51 53.715106 0.028885 LBFGSLineSearch: 3 01:36:52 53.715075 0.029180 LBFGSLineSearch: 4 01:36:52 53.715030 0.023952 LBFGSLineSearch: 5 01:36:52 53.714985 0.020951 LBFGSLineSearch: 6 01:36:53 53.714947 0.018980 LBFGSLineSearch: 7 01:36:53 53.714912 0.014528 LBFGSLineSearch: 8 01:36:53 53.714892 0.009832 LBFGSLineSearch: 9 01:36:54 53.714884 0.006546 LBFGSLineSearch: 10 01:36:54 53.714881 0.005292 LBFGSLineSearch: 11 01:36:55 53.714879 0.004281 LBFGSLineSearch: 12 01:36:55 53.714877 0.003408 LBFGSLineSearch: 13 01:36:56 53.714875 0.003860 LBFGSLineSearch: 14 01:36:57 53.714874 0.002995 LBFGSLineSearch: 15 01:36:58 53.714873 0.001291 LBFGSLineSearch: 16 01:37:01 53.714873 0.000344 LBFGSLineSearch: 17 01:37:03 53.714873 0.000083 LBFGSLineSearch: 18 01:37:04 53.714873 0.000028 LBFGSLineSearch: 19 01:37:08 53.714873 0.000012 LBFGSLineSearch: 20 01:37:11 53.714873 0.000008 Minimization converged after 20 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:37:23 64.614569 1.089975 LBFGSLineSearch: 1 01:37:26 64.513338 0.044834 LBFGSLineSearch: 2 01:37:29 64.513233 0.027767 LBFGSLineSearch: 3 01:37:32 64.513203 0.028467 LBFGSLineSearch: 4 01:37:34 64.513159 0.027225 LBFGSLineSearch: 5 01:37:38 64.513117 0.029114 LBFGSLineSearch: 6 01:37:41 64.513086 0.017008 LBFGSLineSearch: 7 01:37:42 64.513060 0.014272 LBFGSLineSearch: 8 01:37:42 64.513049 0.007020 LBFGSLineSearch: 9 01:37:44 64.513045 0.005099 LBFGSLineSearch: 10 01:37:45 64.513044 0.004450 LBFGSLineSearch: 11 01:37:47 64.513042 0.003547 LBFGSLineSearch: 12 01:37:48 64.513041 0.002868 LBFGSLineSearch: 13 01:37:48 64.513039 0.002595 LBFGSLineSearch: 14 01:37:49 64.513039 0.001419 LBFGSLineSearch: 15 01:37:49 64.513039 0.000404 LBFGSLineSearch: 16 01:37:50 64.513039 0.000132 LBFGSLineSearch: 17 01:37:50 64.513039 0.000040 LBFGSLineSearch: 18 01:37:51 64.513039 0.000026 LBFGSLineSearch: 19 01:37:52 64.513039 0.000015 LBFGSLineSearch: 20 01:37:54 64.513039 0.000015 LBFGSLineSearch: 21 01:37:54 64.513039 0.000005 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:09 76.523771 1.201074 LBFGSLineSearch: 1 01:38:09 76.409663 0.044427 LBFGSLineSearch: 2 01:38:09 76.409571 0.026536 LBFGSLineSearch: 3 01:38:09 76.409541 0.027878 LBFGSLineSearch: 4 01:38:10 76.409508 0.021702 LBFGSLineSearch: 5 01:38:10 76.409478 0.015667 LBFGSLineSearch: 6 01:38:10 76.409448 0.016708 LBFGSLineSearch: 7 01:38:10 76.409429 0.011903 LBFGSLineSearch: 8 01:38:10 76.409416 0.006307 LBFGSLineSearch: 9 01:38:10 76.409413 0.004677 LBFGSLineSearch: 10 01:38:10 76.409412 0.004038 LBFGSLineSearch: 11 01:38:11 76.409411 0.005315 LBFGSLineSearch: 12 01:38:11 76.409409 0.004087 LBFGSLineSearch: 13 01:38:11 76.409408 0.001450 LBFGSLineSearch: 14 01:38:11 76.409408 0.000555 LBFGSLineSearch: 15 01:38:11 76.409408 0.000120 LBFGSLineSearch: 16 01:38:12 76.409408 0.000039 LBFGSLineSearch: 17 01:38:12 76.409408 0.000026 LBFGSLineSearch: 18 01:38:12 76.409408 0.000035 LBFGSLineSearch: 19 01:38:13 76.409408 0.000008 Minimization converged after 19 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:23 89.638996 1.322959 LBFGSLineSearch: 1 01:38:24 89.510525 0.045075 LBFGSLineSearch: 2 01:38:25 89.510441 0.027818 LBFGSLineSearch: 3 01:38:27 89.510412 0.027461 LBFGSLineSearch: 4 01:38:28 89.510393 0.021362 LBFGSLineSearch: 5 01:38:29 89.510363 0.014214 LBFGSLineSearch: 6 01:38:30 89.510341 0.015560 LBFGSLineSearch: 7 01:38:30 89.510324 0.011849 LBFGSLineSearch: 8 01:38:30 89.510312 0.007460 LBFGSLineSearch: 9 01:38:31 89.510309 0.004518 LBFGSLineSearch: 10 01:38:31 89.510309 0.003706 LBFGSLineSearch: 11 01:38:31 89.510307 0.003974 LBFGSLineSearch: 12 01:38:32 89.510306 0.002039 LBFGSLineSearch: 13 01:38:32 89.510306 0.000895 LBFGSLineSearch: 14 01:38:32 89.510306 0.000323 LBFGSLineSearch: 15 01:38:33 89.510306 0.000074 LBFGSLineSearch: 16 01:38:33 89.510306 0.000037 LBFGSLineSearch: 17 01:38:33 89.510306 0.000033 LBFGSLineSearch: 18 01:38:34 89.510306 0.000010 LBFGSLineSearch: 19 01:38:34 89.510306 0.000002 Minimization converged after 19 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:44 104.076485 1.456618 LBFGSLineSearch: 1 01:38:44 103.931983 0.045443 LBFGSLineSearch: 2 01:38:45 103.931908 0.031690 LBFGSLineSearch: 3 01:38:45 103.931878 0.027182 LBFGSLineSearch: 4 01:38:46 103.931863 0.019840 LBFGSLineSearch: 5 01:38:47 103.931842 0.012270 LBFGSLineSearch: 6 01:38:47 103.931823 0.013915 LBFGSLineSearch: 7 01:38:47 103.931809 0.010398 LBFGSLineSearch: 8 01:38:47 103.931800 0.007454 LBFGSLineSearch: 9 01:38:48 103.931797 0.004268 LBFGSLineSearch: 10 01:38:48 103.931796 0.003456 LBFGSLineSearch: 11 01:38:48 103.931795 0.003067 LBFGSLineSearch: 12 01:38:49 103.931794 0.001364 LBFGSLineSearch: 13 01:38:49 103.931794 0.000587 LBFGSLineSearch: 14 01:38:50 103.931794 0.000161 LBFGSLineSearch: 15 01:38:51 103.931794 0.000060 LBFGSLineSearch: 16 01:38:51 103.931794 0.000050 LBFGSLineSearch: 17 01:38:51 103.931794 0.000043 LBFGSLineSearch: 18 01:38:52 103.931794 0.000014 LBFGSLineSearch: 19 01:38:52 103.931794 0.000001 Minimization converged after 19 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:03 119.963025 1.603123 LBFGSLineSearch: 1 01:39:05 119.800627 0.045903 LBFGSLineSearch: 2 01:39:07 119.800560 0.043382 LBFGSLineSearch: 3 01:39:10 119.800526 0.027110 LBFGSLineSearch: 4 01:39:12 119.800512 0.017833 LBFGSLineSearch: 5 01:39:13 119.800499 0.012448 LBFGSLineSearch: 6 01:39:13 119.800480 0.016280 LBFGSLineSearch: 7 01:39:14 119.800471 0.008290 LBFGSLineSearch: 8 01:39:14 119.800463 0.005525 LBFGSLineSearch: 9 01:39:15 119.800462 0.005234 LBFGSLineSearch: 10 01:39:15 119.800461 0.003168 LBFGSLineSearch: 11 01:39:16 119.800460 0.005323 LBFGSLineSearch: 12 01:39:16 119.800460 0.002417 LBFGSLineSearch: 13 01:39:17 119.800460 0.000548 LBFGSLineSearch: 14 01:39:17 119.800459 0.000297 LBFGSLineSearch: 15 01:39:17 119.800459 0.000078 LBFGSLineSearch: 16 01:39:18 119.800459 0.000073 LBFGSLineSearch: 17 01:39:18 119.800459 0.000033 LBFGSLineSearch: 18 01:39:19 119.800459 0.000006 Minimization converged after 18 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:31 137.436834 1.763640 LBFGSLineSearch: 1 01:39:34 137.254480 0.046169 LBFGSLineSearch: 2 01:39:39 137.254402 0.028346 LBFGSLineSearch: 3 01:39:40 137.254381 0.026579 LBFGSLineSearch: 4 01:39:42 137.254366 0.018993 LBFGSLineSearch: 5 01:39:43 137.254357 0.010920 LBFGSLineSearch: 6 01:39:44 137.254342 0.012160 LBFGSLineSearch: 7 01:39:44 137.254336 0.010720 LBFGSLineSearch: 8 01:39:44 137.254331 0.004141 LBFGSLineSearch: 9 01:39:45 137.254331 0.003292 LBFGSLineSearch: 10 01:39:45 137.254330 0.002877 LBFGSLineSearch: 11 01:39:46 137.254330 0.002016 LBFGSLineSearch: 12 01:39:46 137.254329 0.001943 LBFGSLineSearch: 13 01:39:46 137.254329 0.000952 LBFGSLineSearch: 14 01:39:46 137.254329 0.000189 LBFGSLineSearch: 15 01:39:47 137.254329 0.000094 LBFGSLineSearch: 16 01:39:48 137.254329 0.000075 LBFGSLineSearch: 17 01:39:48 137.254329 0.000087 LBFGSLineSearch: 18 01:39:48 137.254329 0.000020 LBFGSLineSearch: 19 01:39:49 137.254329 0.000003 Minimization converged after 19 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:03 156.648527 1.939420 LBFGSLineSearch: 1 01:40:03 156.443887 0.047541 LBFGSLineSearch: 2 01:40:04 156.443806 0.035037 LBFGSLineSearch: 3 01:40:05 156.443777 0.018283 LBFGSLineSearch: 4 01:40:06 156.443772 0.019864 LBFGSLineSearch: 5 01:40:06 156.443762 0.009215 LBFGSLineSearch: 6 01:40:07 156.443755 0.010705 LBFGSLineSearch: 7 01:40:07 156.443750 0.011475 LBFGSLineSearch: 8 01:40:07 156.443747 0.004925 LBFGSLineSearch: 9 01:40:08 156.443747 0.004261 LBFGSLineSearch: 10 01:40:08 156.443747 0.002162 LBFGSLineSearch: 11 01:40:08 156.443746 0.001957 LBFGSLineSearch: 12 01:40:09 156.443746 0.002917 LBFGSLineSearch: 13 01:40:09 156.443746 0.000963 LBFGSLineSearch: 14 01:40:10 156.443746 0.000337 LBFGSLineSearch: 15 01:40:10 156.443746 0.000098 LBFGSLineSearch: 16 01:40:10 156.443746 0.000078 LBFGSLineSearch: 17 01:40:11 156.443746 0.000032 LBFGSLineSearch: 18 01:40:11 156.443746 0.000003 Minimization converged after 18 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:26 177.762013 2.131827 LBFGSLineSearch: 1 01:40:27 177.532373 0.053553 LBFGSLineSearch: 2 01:40:27 177.532291 0.039525 LBFGSLineSearch: 3 01:40:28 177.532258 0.014234 LBFGSLineSearch: 4 01:40:29 177.532253 0.013128 LBFGSLineSearch: 5 01:40:29 177.532247 0.006910 LBFGSLineSearch: 6 01:40:29 177.532244 0.005828 LBFGSLineSearch: 7 01:40:29 177.532240 0.005232 LBFGSLineSearch: 8 01:40:29 177.532239 0.006268 LBFGSLineSearch: 9 01:40:30 177.532238 0.002980 LBFGSLineSearch: 10 01:40:30 177.532238 0.001877 LBFGSLineSearch: 11 01:40:30 177.532238 0.001191 LBFGSLineSearch: 12 01:40:30 177.532238 0.001561 LBFGSLineSearch: 13 01:40:30 177.532238 0.000849 LBFGSLineSearch: 14 01:40:30 177.532238 0.000259 LBFGSLineSearch: 15 01:40:30 177.532238 0.000104 LBFGSLineSearch: 16 01:40:31 177.532238 0.000073 LBFGSLineSearch: 17 01:40:31 177.532238 0.000045 LBFGSLineSearch: 18 01:40:31 177.532238 0.000004 Minimization converged after 18 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:44 200.955109 2.342288 LBFGSLineSearch: 1 01:40:44 200.697396 0.059825 LBFGSLineSearch: 2 01:40:45 200.697310 0.044888 LBFGSLineSearch: 3 01:40:45 200.697270 0.016026 LBFGSLineSearch: 4 01:40:46 200.697265 0.009124 LBFGSLineSearch: 5 01:40:46 200.697261 0.007065 LBFGSLineSearch: 6 01:40:47 200.697258 0.005980 LBFGSLineSearch: 7 01:40:48 200.697255 0.004000 LBFGSLineSearch: 8 01:40:49 200.697254 0.004418 LBFGSLineSearch: 9 01:40:49 200.697254 0.002144 LBFGSLineSearch: 10 01:40:50 200.697254 0.000856 LBFGSLineSearch: 11 01:40:50 200.697254 0.000218 LBFGSLineSearch: 12 01:40:51 200.697254 0.000187 LBFGSLineSearch: 13 01:40:51 200.697254 0.000157 LBFGSLineSearch: 14 01:40:52 200.697254 0.000070 LBFGSLineSearch: 15 01:40:53 200.697254 0.000013 LBFGSLineSearch: 16 01:40:53 200.697254 0.000014 LBFGSLineSearch: 17 01:40:53 200.697254 0.000004 Minimization converged after 17 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:04 226.420634 2.572341 LBFGSLineSearch: 1 01:41:05 226.131518 0.062205 LBFGSLineSearch: 2 01:41:05 226.131429 0.049603 LBFGSLineSearch: 3 01:41:06 226.131382 0.016998 LBFGSLineSearch: 4 01:41:06 226.131377 0.012269 LBFGSLineSearch: 5 01:41:06 226.131372 0.009519 LBFGSLineSearch: 6 01:41:06 226.131367 0.009448 LBFGSLineSearch: 7 01:41:07 226.131364 0.007642 LBFGSLineSearch: 8 01:41:07 226.131362 0.004501 LBFGSLineSearch: 9 01:41:07 226.131361 0.002283 LBFGSLineSearch: 10 01:41:08 226.131361 0.001255 LBFGSLineSearch: 11 01:41:08 226.131361 0.001331 LBFGSLineSearch: 12 01:41:09 226.131361 0.001106 LBFGSLineSearch: 13 01:41:11 226.131361 0.000642 LBFGSLineSearch: 14 01:41:14 226.131361 0.000105 LBFGSLineSearch: 15 01:41:15 226.131361 0.000071 LBFGSLineSearch: 16 01:41:17 226.131361 0.000000 Minimization converged after 16 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:30 254.367839 2.823648 LBFGSLineSearch: 1 01:41:31 254.043629 0.064444 LBFGSLineSearch: 2 01:41:32 254.043536 0.054896 LBFGSLineSearch: 3 01:41:34 254.043480 0.018354 LBFGSLineSearch: 4 01:41:34 254.043474 0.015799 LBFGSLineSearch: 5 01:41:34 254.043465 0.012488 LBFGSLineSearch: 6 01:41:35 254.043454 0.015167 LBFGSLineSearch: 7 01:41:35 254.043448 0.008796 LBFGSLineSearch: 8 01:41:36 254.043445 0.005054 LBFGSLineSearch: 9 01:41:36 254.043444 0.003754 LBFGSLineSearch: 10 01:41:37 254.043444 0.002319 LBFGSLineSearch: 11 01:41:38 254.043444 0.002014 LBFGSLineSearch: 12 01:41:38 254.043444 0.002397 LBFGSLineSearch: 13 01:41:38 254.043444 0.001264 LBFGSLineSearch: 14 01:41:39 254.043444 0.000451 LBFGSLineSearch: 15 01:41:40 254.043444 0.000060 LBFGSLineSearch: 16 01:41:40 254.043444 0.000034 LBFGSLineSearch: 17 01:41:40 254.043444 0.000005 Minimization converged after 17 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:51 285.023446 3.098000 LBFGSLineSearch: 1 01:41:52 284.727679 1.354243 LBFGSLineSearch: 2 01:41:53 284.660003 0.186684 LBFGSLineSearch: 3 01:41:54 284.659785 0.039395 LBFGSLineSearch: 4 01:41:54 284.659755 0.038309 LBFGSLineSearch: 5 01:41:55 284.659738 0.019001 LBFGSLineSearch: 6 01:41:56 284.659728 0.016560 LBFGSLineSearch: 7 01:41:57 284.659707 0.023759 LBFGSLineSearch: 8 01:41:58 284.659699 0.007243 LBFGSLineSearch: 9 01:41:58 284.659698 0.003733 LBFGSLineSearch: 10 01:41:59 284.659697 0.002588 LBFGSLineSearch: 11 01:42:00 284.659697 0.002077 LBFGSLineSearch: 12 01:42:03 284.659697 0.003010 LBFGSLineSearch: 13 01:42:04 284.659697 0.002097 LBFGSLineSearch: 14 01:42:06 284.659697 0.000622 LBFGSLineSearch: 15 01:42:07 284.659697 0.000032 LBFGSLineSearch: 16 01:42:08 284.659697 0.000021 LBFGSLineSearch: 17 01:42:09 284.659697 0.000006 Minimization converged after 17 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:19 318.632598 3.397291 LBFGSLineSearch: 1 01:42:21 318.287231 1.343886 LBFGSLineSearch: 2 01:42:24 318.225486 0.224951 LBFGSLineSearch: 3 01:42:24 318.225182 0.049536 LBFGSLineSearch: 4 01:42:25 318.225149 0.046214 LBFGSLineSearch: 5 01:42:27 318.225124 0.024339 LBFGSLineSearch: 6 01:42:29 318.225110 0.023721 LBFGSLineSearch: 7 01:42:29 318.225079 0.030332 LBFGSLineSearch: 8 01:42:30 318.225065 0.008296 LBFGSLineSearch: 9 01:42:31 318.225064 0.003686 LBFGSLineSearch: 10 01:42:31 318.225063 0.003180 LBFGSLineSearch: 11 01:42:31 318.225063 0.002129 LBFGSLineSearch: 12 01:42:32 318.225063 0.001159 LBFGSLineSearch: 13 01:42:32 318.225062 0.000802 LBFGSLineSearch: 14 01:42:33 318.225062 0.000150 LBFGSLineSearch: 15 01:42:33 318.225062 0.000088 LBFGSLineSearch: 16 01:42:34 318.225062 0.000030 LBFGSLineSearch: 17 01:42:35 318.225062 0.000000 Minimization converged after 17 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:46 355.461140 3.723608 LBFGSLineSearch: 1 01:42:46 355.059538 1.306089 LBFGSLineSearch: 2 01:42:47 355.005521 0.268956 LBFGSLineSearch: 3 01:42:47 355.005100 0.057068 LBFGSLineSearch: 4 01:42:48 355.005064 0.052440 LBFGSLineSearch: 5 01:42:49 355.005031 0.027896 LBFGSLineSearch: 6 01:42:49 355.005018 0.040121 LBFGSLineSearch: 7 01:42:50 355.004980 0.033178 LBFGSLineSearch: 8 01:42:51 355.004961 0.011219 LBFGSLineSearch: 9 01:42:52 355.004958 0.005802 LBFGSLineSearch: 10 01:42:53 355.004957 0.003412 LBFGSLineSearch: 11 01:42:54 355.004957 0.002775 LBFGSLineSearch: 12 01:42:57 355.004957 0.002905 LBFGSLineSearch: 13 01:42:59 355.004956 0.000328 LBFGSLineSearch: 14 01:43:01 355.004956 0.000193 LBFGSLineSearch: 15 01:43:02 355.004956 0.000116 LBFGSLineSearch: 16 01:43:04 355.004956 0.000002 Minimization converged after 16 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:15 395.796778 4.079182 LBFGSLineSearch: 1 01:43:17 395.331823 1.235198 LBFGSLineSearch: 2 01:43:19 395.287222 0.335559 LBFGSLineSearch: 3 01:43:20 395.286595 0.066521 LBFGSLineSearch: 4 01:43:21 395.286551 0.059667 LBFGSLineSearch: 5 01:43:21 395.286509 0.029234 LBFGSLineSearch: 6 01:43:22 395.286493 0.030207 LBFGSLineSearch: 7 01:43:22 395.286458 0.033617 LBFGSLineSearch: 8 01:43:23 395.286430 0.018406 LBFGSLineSearch: 9 01:43:24 395.286425 0.008282 LBFGSLineSearch: 10 01:43:25 395.286424 0.003876 LBFGSLineSearch: 11 01:43:25 395.286424 0.002779 LBFGSLineSearch: 12 01:43:26 395.286423 0.002094 LBFGSLineSearch: 13 01:43:26 395.286423 0.000351 LBFGSLineSearch: 14 01:43:26 395.286423 0.000205 LBFGSLineSearch: 15 01:43:28 395.286423 0.000221 LBFGSLineSearch: 16 01:43:31 395.286423 0.000013 LBFGSLineSearch: 17 01:43:32 395.286423 0.000000 Minimization converged after 17 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:42 439.950363 4.466394 LBFGSLineSearch: 1 01:43:43 439.414856 1.122363 LBFGSLineSearch: 2 01:43:44 439.381181 0.422352 LBFGSLineSearch: 3 01:43:44 439.380232 0.081711 LBFGSLineSearch: 4 01:43:45 439.380169 0.072242 LBFGSLineSearch: 5 01:43:46 439.380112 0.029342 LBFGSLineSearch: 6 01:43:49 439.380095 0.031724 LBFGSLineSearch: 7 01:43:50 439.380063 0.034642 LBFGSLineSearch: 8 01:43:51 439.380028 0.025557 LBFGSLineSearch: 9 01:43:52 439.380017 0.013169 LBFGSLineSearch: 10 01:43:52 439.380015 0.004201 LBFGSLineSearch: 11 01:43:53 439.380014 0.004002 LBFGSLineSearch: 12 01:43:54 439.380014 0.001766 LBFGSLineSearch: 13 01:43:54 439.380014 0.000874 LBFGSLineSearch: 14 01:43:54 439.380014 0.001013 LBFGSLineSearch: 15 01:43:55 439.380013 0.000237 LBFGSLineSearch: 16 01:43:55 439.380013 0.000135 LBFGSLineSearch: 17 01:43:55 439.380013 0.000019 LBFGSLineSearch: 18 01:43:55 439.380013 0.000001 Minimization converged after 18 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:03 488.258430 4.887842 LBFGSLineSearch: 1 01:44:04 487.645306 0.957305 LBFGSLineSearch: 2 01:44:05 487.623444 0.530182 LBFGSLineSearch: 3 01:44:05 487.622048 0.107808 LBFGSLineSearch: 4 01:44:05 487.621935 0.097828 LBFGSLineSearch: 5 01:44:06 487.621845 0.037935 LBFGSLineSearch: 6 01:44:06 487.621825 0.031681 LBFGSLineSearch: 7 01:44:06 487.621798 0.037643 LBFGSLineSearch: 8 01:44:07 487.621761 0.031942 LBFGSLineSearch: 9 01:44:07 487.621738 0.021235 LBFGSLineSearch: 10 01:44:07 487.621733 0.006069 LBFGSLineSearch: 11 01:44:07 487.621733 0.003293 LBFGSLineSearch: 12 01:44:08 487.621732 0.002461 LBFGSLineSearch: 13 01:44:09 487.621732 0.001262 LBFGSLineSearch: 14 01:44:11 487.621732 0.000554 LBFGSLineSearch: 15 01:44:12 487.621732 0.000208 LBFGSLineSearch: 16 01:44:12 487.621732 0.000158 LBFGSLineSearch: 17 01:44:12 487.621732 0.000063 LBFGSLineSearch: 18 01:44:13 487.621732 0.000001 Minimization converged after 18 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:20 541.084974 5.346324 LBFGSLineSearch: 1 01:44:21 540.387725 0.728084 LBFGSLineSearch: 2 01:44:21 540.377491 0.667329 LBFGSLineSearch: 3 01:44:24 540.375563 0.155100 LBFGSLineSearch: 4 01:44:28 540.375287 0.153016 LBFGSLineSearch: 5 01:44:30 540.375112 0.050404 LBFGSLineSearch: 6 01:44:30 540.375085 0.030240 LBFGSLineSearch: 7 01:44:31 540.375060 0.031769 LBFGSLineSearch: 8 01:44:32 540.375029 0.038682 LBFGSLineSearch: 9 01:44:32 540.374992 0.030987 LBFGSLineSearch: 10 01:44:32 540.374983 0.007717 LBFGSLineSearch: 11 01:44:33 540.374981 0.003481 LBFGSLineSearch: 12 01:44:35 540.374981 0.002969 LBFGSLineSearch: 13 01:44:35 540.374981 0.001337 LBFGSLineSearch: 14 01:44:35 540.374981 0.001305 LBFGSLineSearch: 15 01:44:36 540.374981 0.000253 LBFGSLineSearch: 16 01:44:37 540.374980 0.000156 LBFGSLineSearch: 17 01:44:37 540.374980 0.000026 LBFGSLineSearch: 18 01:44:38 540.374980 0.000000 Minimization converged after 18 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:48 598.823528 5.844855 LBFGSLineSearch: 1 01:44:48 598.036857 0.420428 LBFGSLineSearch: 2 01:44:49 598.034379 0.396172 LBFGSLineSearch: 3 01:44:50 598.032920 0.079837 LBFGSLineSearch: 4 01:44:50 598.032864 0.063670 LBFGSLineSearch: 5 01:44:51 598.032823 0.042142 LBFGSLineSearch: 6 01:44:51 598.032791 0.039948 LBFGSLineSearch: 7 01:44:51 598.032739 0.061547 LBFGSLineSearch: 8 01:44:52 598.032702 0.042370 LBFGSLineSearch: 9 01:44:52 598.032684 0.020978 LBFGSLineSearch: 10 01:44:52 598.032680 0.004584 LBFGSLineSearch: 11 01:44:53 598.032680 0.003718 LBFGSLineSearch: 12 01:44:54 598.032679 0.002868 LBFGSLineSearch: 13 01:44:55 598.032679 0.002972 LBFGSLineSearch: 14 01:44:56 598.032679 0.000692 LBFGSLineSearch: 15 01:44:56 598.032679 0.000192 LBFGSLineSearch: 16 01:44:56 598.032679 0.000145 LBFGSLineSearch: 17 01:44:57 598.032679 0.000016 LBFGSLineSearch: 18 01:44:57 598.032679 0.000001 Minimization converged after 18 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:07 661.899475 6.386680 LBFGSLineSearch: 1 01:45:07 661.020137 0.197680 LBFGSLineSearch: 2 01:45:08 661.019904 0.093881 LBFGSLineSearch: 3 01:45:08 661.019737 0.056729 LBFGSLineSearch: 4 01:45:09 661.019699 0.059618 LBFGSLineSearch: 5 01:45:09 661.019643 0.052794 LBFGSLineSearch: 6 01:45:09 661.019569 0.061756 LBFGSLineSearch: 7 01:45:10 661.019511 0.038791 LBFGSLineSearch: 8 01:45:10 661.019498 0.015401 LBFGSLineSearch: 9 01:45:11 661.019496 0.008573 LBFGSLineSearch: 10 01:45:11 661.019496 0.005372 LBFGSLineSearch: 11 01:45:11 661.019495 0.004309 LBFGSLineSearch: 12 01:45:12 661.019494 0.002868 LBFGSLineSearch: 13 01:45:13 661.019494 0.001505 LBFGSLineSearch: 14 01:45:14 661.019494 0.000653 LBFGSLineSearch: 15 01:45:14 661.019494 0.000196 LBFGSLineSearch: 16 01:45:16 661.019494 0.000007 Minimization converged after 16 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:27 730.772345 6.975292 LBFGSLineSearch: 1 01:45:28 729.800330 0.580195 LBFGSLineSearch: 2 01:45:29 729.797109 0.523422 LBFGSLineSearch: 3 01:45:31 729.794544 0.144812 LBFGSLineSearch: 4 01:45:33 729.794413 0.105698 LBFGSLineSearch: 5 01:45:33 729.794344 0.046855 LBFGSLineSearch: 6 01:45:33 729.794311 0.043700 LBFGSLineSearch: 7 01:45:33 729.794269 0.071560 LBFGSLineSearch: 8 01:45:34 729.794225 0.060853 LBFGSLineSearch: 9 01:45:34 729.794184 0.032117 LBFGSLineSearch: 10 01:45:34 729.794173 0.007739 LBFGSLineSearch: 11 01:45:35 729.794172 0.003936 LBFGSLineSearch: 12 01:45:35 729.794172 0.003091 LBFGSLineSearch: 13 01:45:35 729.794172 0.003946 LBFGSLineSearch: 14 01:45:35 729.794172 0.001469 LBFGSLineSearch: 15 01:45:35 729.794172 0.000211 LBFGSLineSearch: 16 01:45:36 729.794172 0.000146 LBFGSLineSearch: 17 01:45:36 729.794172 0.000000 Minimization converged after 17 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:44 805.938303 7.614413 LBFGSLineSearch: 1 01:45:45 804.878525 1.249059 LBFGSLineSearch: 2 01:45:45 804.859411 1.109283 LBFGSLineSearch: 3 01:45:45 804.852581 0.205236 LBFGSLineSearch: 4 01:45:45 804.852361 0.142610 LBFGSLineSearch: 5 01:45:46 804.852265 0.050244 LBFGSLineSearch: 6 01:45:46 804.852228 0.044169 LBFGSLineSearch: 7 01:45:46 804.852183 0.047317 LBFGSLineSearch: 8 01:45:46 804.852145 0.048477 LBFGSLineSearch: 9 01:45:47 804.852097 0.040654 LBFGSLineSearch: 10 01:45:47 804.852080 0.006521 LBFGSLineSearch: 11 01:45:47 804.852079 0.003997 LBFGSLineSearch: 12 01:45:47 804.852079 0.003385 LBFGSLineSearch: 13 01:45:47 804.852079 0.004142 LBFGSLineSearch: 14 01:45:48 804.852078 0.000642 LBFGSLineSearch: 15 01:45:48 804.852078 0.000227 LBFGSLineSearch: 16 01:45:48 804.852078 0.000008 Minimization converged after 16 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:55 887.932994 8.308090 LBFGSLineSearch: 1 01:45:56 886.797420 2.084800 LBFGSLineSearch: 2 01:45:57 886.745160 2.180139 LBFGSLineSearch: 3 01:45:58 886.732097 0.490833 LBFGSLineSearch: 4 01:45:58 886.730311 0.496715 LBFGSLineSearch: 5 01:45:59 886.728667 0.292187 LBFGSLineSearch: 6 01:45:59 886.728236 0.139443 LBFGSLineSearch: 7 01:45:59 886.728063 0.049732 LBFGSLineSearch: 8 01:46:00 886.728038 0.032731 LBFGSLineSearch: 9 01:46:00 886.728014 0.036355 LBFGSLineSearch: 10 01:46:00 886.727992 0.031446 LBFGSLineSearch: 11 01:46:00 886.727954 0.027667 LBFGSLineSearch: 12 01:46:00 886.727949 0.007215 LBFGSLineSearch: 13 01:46:01 886.727948 0.003929 LBFGSLineSearch: 14 01:46:01 886.727948 0.002078 LBFGSLineSearch: 15 01:46:01 886.727948 0.001572 LBFGSLineSearch: 16 01:46:01 886.727948 0.000645 LBFGSLineSearch: 17 01:46:01 886.727948 0.000098 LBFGSLineSearch: 18 01:46:02 886.727948 0.000020 LBFGSLineSearch: 19 01:46:02 886.727948 0.000000 Minimization converged after 19 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:10 977.334328 9.060638 LBFGSLineSearch: 1 01:46:10 976.144864 3.120662 LBFGSLineSearch: 2 01:46:10 976.023205 2.732594 LBFGSLineSearch: 3 01:46:10 976.003610 0.532068 LBFGSLineSearch: 4 01:46:11 976.001718 0.538709 LBFGSLineSearch: 5 01:46:11 975.999813 0.359383 LBFGSLineSearch: 6 01:46:11 975.999142 0.189007 LBFGSLineSearch: 7 01:46:11 975.998839 0.066175 LBFGSLineSearch: 8 01:46:11 975.998802 0.035740 LBFGSLineSearch: 9 01:46:12 975.998775 0.036939 LBFGSLineSearch: 10 01:46:12 975.998757 0.031045 LBFGSLineSearch: 11 01:46:12 975.998716 0.026698 LBFGSLineSearch: 12 01:46:12 975.998707 0.010576 LBFGSLineSearch: 13 01:46:13 975.998706 0.003369 LBFGSLineSearch: 14 01:46:13 975.998706 0.002455 LBFGSLineSearch: 15 01:46:13 975.998706 0.001547 LBFGSLineSearch: 16 01:46:13 975.998706 0.000692 LBFGSLineSearch: 17 01:46:14 975.998705 0.000106 LBFGSLineSearch: 18 01:46:14 975.998705 0.000059 LBFGSLineSearch: 19 01:46:14 975.998705 0.000002 Minimization converged after 19 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:21 1074.765490 9.876679 LBFGSLineSearch: 1 01:46:21 1073.558207 4.399932 LBFGSLineSearch: 2 01:46:21 1073.320157 3.319541 LBFGSLineSearch: 3 01:46:21 1073.292446 0.630429 LBFGSLineSearch: 4 01:46:22 1073.290279 0.580932 LBFGSLineSearch: 5 01:46:22 1073.288182 0.445512 LBFGSLineSearch: 6 01:46:22 1073.287226 0.253539 LBFGSLineSearch: 7 01:46:22 1073.286716 0.088504 LBFGSLineSearch: 8 01:46:23 1073.286653 0.049873 LBFGSLineSearch: 9 01:46:23 1073.286619 0.036841 LBFGSLineSearch: 10 01:46:23 1073.286601 0.033171 LBFGSLineSearch: 11 01:46:23 1073.286565 0.035184 LBFGSLineSearch: 12 01:46:23 1073.286548 0.016137 LBFGSLineSearch: 13 01:46:24 1073.286545 0.003831 LBFGSLineSearch: 14 01:46:24 1073.286545 0.002641 LBFGSLineSearch: 15 01:46:25 1073.286545 0.001359 LBFGSLineSearch: 16 01:46:25 1073.286545 0.000694 LBFGSLineSearch: 17 01:46:25 1073.286545 0.000103 LBFGSLineSearch: 18 01:46:26 1073.286545 0.000058 LBFGSLineSearch: 19 01:46:26 1073.286545 0.000006 Minimization converged after 19 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:34 1180.898780 10.761226 LBFGSLineSearch: 1 01:46:34 1179.264423 0.375072 LBFGSLineSearch: 2 01:46:35 1179.263866 0.167589 LBFGSLineSearch: 3 01:46:36 1179.263530 0.128076 LBFGSLineSearch: 4 01:46:36 1179.263419 0.127837 LBFGSLineSearch: 5 01:46:37 1179.263318 0.083986 LBFGSLineSearch: 6 01:46:38 1179.263232 0.079826 LBFGSLineSearch: 7 01:46:38 1179.263142 0.070158 LBFGSLineSearch: 8 01:46:39 1179.263103 0.064811 LBFGSLineSearch: 9 01:46:39 1179.263081 0.052136 LBFGSLineSearch: 10 01:46:40 1179.263046 0.020878 LBFGSLineSearch: 11 01:46:40 1179.263041 0.012846 LBFGSLineSearch: 12 01:46:40 1179.263040 0.004075 LBFGSLineSearch: 13 01:46:40 1179.263040 0.002721 LBFGSLineSearch: 14 01:46:40 1179.263039 0.000966 LBFGSLineSearch: 15 01:46:41 1179.263039 0.000144 LBFGSLineSearch: 16 01:46:41 1179.263039 0.000004 Minimization converged after 16 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:48 1296.459942 11.719691 LBFGSLineSearch: 1 01:46:49 1294.653724 0.393490 LBFGSLineSearch: 2 01:46:49 1294.653125 0.195491 LBFGSLineSearch: 3 01:46:50 1294.652748 0.152066 LBFGSLineSearch: 4 01:46:50 1294.652608 0.158902 LBFGSLineSearch: 5 01:46:51 1294.652480 0.096340 LBFGSLineSearch: 6 01:46:51 1294.652381 0.086758 LBFGSLineSearch: 7 01:46:52 1294.652291 0.073784 LBFGSLineSearch: 8 01:46:53 1294.652249 0.073625 LBFGSLineSearch: 9 01:46:55 1294.652224 0.062339 LBFGSLineSearch: 10 01:46:56 1294.652177 0.029097 LBFGSLineSearch: 11 01:46:56 1294.652170 0.016680 LBFGSLineSearch: 12 01:46:56 1294.652168 0.003860 LBFGSLineSearch: 13 01:46:57 1294.652167 0.002978 LBFGSLineSearch: 14 01:46:57 1294.652167 0.000525 LBFGSLineSearch: 15 01:46:57 1294.652167 0.000115 LBFGSLineSearch: 16 01:46:57 1294.652167 0.000005 Minimization converged after 16 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:05 1422.229934 12.757777 LBFGSLineSearch: 1 01:47:06 1420.235069 0.410432 LBFGSLineSearch: 2 01:47:07 1420.234437 0.232872 LBFGSLineSearch: 3 01:47:08 1420.234002 0.178812 LBFGSLineSearch: 4 01:47:08 1420.233818 0.203116 LBFGSLineSearch: 5 01:47:08 1420.233649 0.120706 LBFGSLineSearch: 6 01:47:08 1420.233530 0.097793 LBFGSLineSearch: 7 01:47:09 1420.233432 0.080979 LBFGSLineSearch: 8 01:47:09 1420.233385 0.082812 LBFGSLineSearch: 9 01:47:09 1420.233358 0.072407 LBFGSLineSearch: 10 01:47:09 1420.233297 0.038657 LBFGSLineSearch: 11 01:47:10 1420.233287 0.021188 LBFGSLineSearch: 12 01:47:10 1420.233284 0.003856 LBFGSLineSearch: 13 01:47:10 1420.233284 0.003024 LBFGSLineSearch: 14 01:47:10 1420.233283 0.001303 LBFGSLineSearch: 15 01:47:11 1420.233283 0.000105 LBFGSLineSearch: 16 01:47:11 1420.233283 0.000011 LBFGSLineSearch: 17 01:47:11 1420.233283 0.000000 Minimization converged after 17 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:18 1559.048625 13.881534 LBFGSLineSearch: 1 01:47:19 1556.846282 0.419272 LBFGSLineSearch: 2 01:47:21 1556.845634 0.276543 LBFGSLineSearch: 3 01:47:21 1556.845128 0.216166 LBFGSLineSearch: 4 01:47:22 1556.844877 0.258088 LBFGSLineSearch: 5 01:47:24 1556.844658 0.147817 LBFGSLineSearch: 6 01:47:24 1556.844508 0.113410 LBFGSLineSearch: 7 01:47:24 1556.844400 0.090004 LBFGSLineSearch: 8 01:47:25 1556.844345 0.093198 LBFGSLineSearch: 9 01:47:25 1556.844316 0.082312 LBFGSLineSearch: 10 01:47:26 1556.844240 0.047635 LBFGSLineSearch: 11 01:47:27 1556.844225 0.026157 LBFGSLineSearch: 12 01:47:28 1556.844221 0.005197 LBFGSLineSearch: 13 01:47:30 1556.844221 0.003245 LBFGSLineSearch: 14 01:47:31 1556.844221 0.001355 LBFGSLineSearch: 15 01:47:32 1556.844221 0.000084 LBFGSLineSearch: 16 01:47:33 1556.844221 0.000012 LBFGSLineSearch: 17 01:47:35 1556.844221 0.000000 Minimization converged after 17 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:43 1707.817077 15.097286 LBFGSLineSearch: 1 01:47:46 1705.385844 0.419273 LBFGSLineSearch: 2 01:47:48 1705.385227 0.292379 LBFGSLineSearch: 3 01:47:49 1705.384719 0.242258 LBFGSLineSearch: 4 01:47:50 1705.384411 0.289337 LBFGSLineSearch: 5 01:47:50 1705.384157 0.166404 LBFGSLineSearch: 6 01:47:50 1705.383972 0.140058 LBFGSLineSearch: 7 01:47:51 1705.383845 0.103284 LBFGSLineSearch: 8 01:47:51 1705.383777 0.106647 LBFGSLineSearch: 9 01:47:52 1705.383745 0.092963 LBFGSLineSearch: 10 01:47:52 1705.383664 0.052153 LBFGSLineSearch: 11 01:47:53 1705.383644 0.028905 LBFGSLineSearch: 12 01:47:53 1705.383639 0.006917 LBFGSLineSearch: 13 01:47:53 1705.383639 0.003574 LBFGSLineSearch: 14 01:47:54 1705.383639 0.001449 LBFGSLineSearch: 15 01:47:55 1705.383639 0.000043 LBFGSLineSearch: 16 01:47:55 1705.383639 0.000004 Minimization converged after 16 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:04 1869.499870 16.411624 LBFGSLineSearch: 1 01:48:04 1866.816044 0.407281 LBFGSLineSearch: 2 01:48:04 1866.815461 0.314206 LBFGSLineSearch: 3 01:48:05 1866.814951 0.269403 LBFGSLineSearch: 4 01:48:05 1866.814552 0.285416 LBFGSLineSearch: 5 01:48:06 1866.814209 0.200052 LBFGSLineSearch: 6 01:48:06 1866.813984 0.189334 LBFGSLineSearch: 7 01:48:06 1866.813843 0.142321 LBFGSLineSearch: 8 01:48:06 1866.813777 0.121657 LBFGSLineSearch: 9 01:48:07 1866.813737 0.098869 LBFGSLineSearch: 10 01:48:07 1866.813658 0.052143 LBFGSLineSearch: 11 01:48:08 1866.813633 0.029107 LBFGSLineSearch: 12 01:48:09 1866.813626 0.004198 LBFGSLineSearch: 13 01:48:10 1866.813626 0.004039 LBFGSLineSearch: 14 01:48:11 1866.813626 0.001248 LBFGSLineSearch: 15 01:48:11 1866.813626 0.000018 LBFGSLineSearch: 16 01:48:11 1866.813626 0.000006 Minimization converged after 16 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:18 2045.127277 17.831366 LBFGSLineSearch: 1 01:48:19 2042.163878 0.381083 LBFGSLineSearch: 2 01:48:19 2042.163308 0.338330 LBFGSLineSearch: 3 01:48:19 2042.162788 0.300411 LBFGSLineSearch: 4 01:48:20 2042.162283 0.223026 LBFGSLineSearch: 5 01:48:20 2042.161898 0.283628 LBFGSLineSearch: 6 01:48:20 2042.161551 0.193413 LBFGSLineSearch: 7 01:48:22 2042.161354 0.143864 LBFGSLineSearch: 8 01:48:22 2042.161275 0.134191 LBFGSLineSearch: 9 01:48:23 2042.161199 0.098388 LBFGSLineSearch: 10 01:48:24 2042.161152 0.065605 LBFGSLineSearch: 11 01:48:24 2042.161128 0.035454 LBFGSLineSearch: 12 01:48:25 2042.161119 0.010963 LBFGSLineSearch: 13 01:48:27 2042.161118 0.004463 LBFGSLineSearch: 14 01:48:27 2042.161118 0.001632 LBFGSLineSearch: 15 01:48:28 2042.161118 0.000091 LBFGSLineSearch: 16 01:48:28 2042.161118 0.000006 Minimization converged after 16 steps. Pressure: 9195.209099750382 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:35 2235.795577 19.363450 LBFGSLineSearch: 1 01:48:35 2232.522268 0.412232 LBFGSLineSearch: 2 01:48:36 2232.521676 0.368237 LBFGSLineSearch: 3 01:48:36 2232.521132 0.337763 LBFGSLineSearch: 4 01:48:36 2232.520502 0.294099 LBFGSLineSearch: 5 01:48:37 2232.520036 0.316730 LBFGSLineSearch: 6 01:48:37 2232.519444 0.270096 LBFGSLineSearch: 7 01:48:37 2232.519186 0.150272 LBFGSLineSearch: 8 01:48:38 2232.519102 0.139340 LBFGSLineSearch: 9 01:48:38 2232.519058 0.104544 LBFGSLineSearch: 10 01:48:38 2232.518996 0.078900 LBFGSLineSearch: 11 01:48:38 2232.518960 0.053039 LBFGSLineSearch: 12 01:48:39 2232.518947 0.018803 LBFGSLineSearch: 13 01:48:39 2232.518946 0.005093 LBFGSLineSearch: 14 01:48:39 2232.518945 0.001877 LBFGSLineSearch: 15 01:48:40 2232.518945 0.000174 LBFGSLineSearch: 16 01:48:40 2232.518945 0.000012 LBFGSLineSearch: 17 01:48:40 2232.518945 0.000000 Minimization converged after 17 steps. Pressure: 10321.273240738801 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:46 2442.667785 21.014884 LBFGSLineSearch: 1 01:48:46 2439.050331 0.489847 LBFGSLineSearch: 2 01:48:46 2439.049659 0.409132 LBFGSLineSearch: 3 01:48:46 2439.049083 0.415601 LBFGSLineSearch: 4 01:48:47 2439.048118 0.409972 LBFGSLineSearch: 5 01:48:47 2439.047397 0.397773 LBFGSLineSearch: 6 01:48:48 2439.046655 0.333796 LBFGSLineSearch: 7 01:48:48 2439.046329 0.167324 LBFGSLineSearch: 8 01:48:49 2439.046233 0.133761 LBFGSLineSearch: 9 01:48:49 2439.046196 0.106193 LBFGSLineSearch: 10 01:48:49 2439.046148 0.072613 LBFGSLineSearch: 11 01:48:49 2439.046108 0.062579 LBFGSLineSearch: 12 01:48:50 2439.046090 0.023204 LBFGSLineSearch: 13 01:48:50 2439.046088 0.006940 LBFGSLineSearch: 14 01:48:50 2439.046087 0.002454 LBFGSLineSearch: 15 01:48:50 2439.046087 0.000273 LBFGSLineSearch: 16 01:48:50 2439.046087 0.000027 LBFGSLineSearch: 17 01:48:50 2439.046087 0.000000 Minimization converged after 17 steps. Pressure: 11585.237502960379 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:59 2666.972726 22.792664 LBFGSLineSearch: 1 01:48:59 2662.972386 0.730453 LBFGSLineSearch: 2 01:48:59 2662.971501 0.460369 LBFGSLineSearch: 3 01:49:00 2662.970883 0.548637 LBFGSLineSearch: 4 01:49:00 2662.969273 0.496755 LBFGSLineSearch: 5 01:49:00 2662.968126 0.414007 LBFGSLineSearch: 6 01:49:00 2662.967289 0.386276 LBFGSLineSearch: 7 01:49:01 2662.966871 0.177583 LBFGSLineSearch: 8 01:49:01 2662.966776 0.124117 LBFGSLineSearch: 9 01:49:01 2662.966740 0.116444 LBFGSLineSearch: 10 01:49:01 2662.966706 0.083587 LBFGSLineSearch: 11 01:49:01 2662.966667 0.061559 LBFGSLineSearch: 12 01:49:01 2662.966646 0.024052 LBFGSLineSearch: 13 01:49:02 2662.966644 0.010392 LBFGSLineSearch: 14 01:49:02 2662.966642 0.003103 LBFGSLineSearch: 15 01:49:02 2662.966642 0.000402 LBFGSLineSearch: 16 01:49:02 2662.966642 0.000061 LBFGSLineSearch: 17 01:49:02 2662.966642 0.000000 Minimization converged after 17 steps. Pressure: 13003.989417723476 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:10 2910.002347 24.703570 LBFGSLineSearch: 1 01:49:11 2905.574965 1.053711 LBFGSLineSearch: 2 01:49:11 2905.573592 0.522139 LBFGSLineSearch: 3 01:49:11 2905.572892 0.641844 LBFGSLineSearch: 4 01:49:12 2905.570361 0.782210 LBFGSLineSearch: 5 01:49:12 2905.568448 0.470447 LBFGSLineSearch: 6 01:49:13 2905.567652 0.414407 LBFGSLineSearch: 7 01:49:13 2905.566994 0.288516 LBFGSLineSearch: 8 01:49:13 2905.566872 0.129268 LBFGSLineSearch: 9 01:49:13 2905.566843 0.124319 LBFGSLineSearch: 10 01:49:13 2905.566810 0.089317 LBFGSLineSearch: 11 01:49:14 2905.566776 0.067085 LBFGSLineSearch: 12 01:49:14 2905.566751 0.017608 LBFGSLineSearch: 13 01:49:14 2905.566749 0.015189 LBFGSLineSearch: 14 01:49:14 2905.566747 0.002728 LBFGSLineSearch: 15 01:49:14 2905.566747 0.000591 LBFGSLineSearch: 16 01:49:15 2905.566747 0.000158 LBFGSLineSearch: 17 01:49:15 2905.566747 0.000000 Minimization converged after 17 steps. Pressure: 14596.484598011308 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:24 3173.105987 26.753924 LBFGSLineSearch: 1 01:49:24 3168.201109 1.481690 LBFGSLineSearch: 2 01:49:24 3168.198772 0.596823 LBFGSLineSearch: 3 01:49:25 3168.197911 0.722388 LBFGSLineSearch: 4 01:49:25 3168.194314 1.118473 LBFGSLineSearch: 5 01:49:26 3168.191030 0.663406 LBFGSLineSearch: 6 01:49:26 3168.190024 0.352076 LBFGSLineSearch: 7 01:49:26 3168.189125 0.376538 LBFGSLineSearch: 8 01:49:27 3168.188943 0.132730 LBFGSLineSearch: 9 01:49:27 3168.188917 0.126675 LBFGSLineSearch: 10 01:49:27 3168.188882 0.101018 LBFGSLineSearch: 11 01:49:28 3168.188846 0.066589 LBFGSLineSearch: 12 01:49:29 3168.188820 0.021338 LBFGSLineSearch: 13 01:49:30 3168.188819 0.016146 LBFGSLineSearch: 14 01:49:30 3168.188817 0.002046 LBFGSLineSearch: 15 01:49:30 3168.188817 0.000804 LBFGSLineSearch: 16 01:49:30 3168.188817 0.000000 Minimization converged after 16 steps. Pressure: 16383.999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:40 3457.681575 28.949276 Failed to get energy or crystal structure at pressure 16383.999999999993 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:40 -47.533475 0.001101 LBFGSLineSearch: 1 01:49:41 -47.533475 0.000327 LBFGSLineSearch: 2 01:49:41 -47.533475 0.000085 LBFGSLineSearch: 3 01:49:41 -47.533475 0.000036 LBFGSLineSearch: 4 01:49:42 -47.533475 0.000008 Minimization converged after 4 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:48 -47.848312 0.031488 LBFGSLineSearch: 1 01:49:49 -47.848705 0.016641 LBFGSLineSearch: 2 01:49:49 -47.848740 0.004430 LBFGSLineSearch: 3 01:49:49 -47.848745 0.002432 LBFGSLineSearch: 4 01:49:49 -47.848746 0.003036 LBFGSLineSearch: 5 01:49:50 -47.848747 0.001562 LBFGSLineSearch: 6 01:49:50 -47.848749 0.001861 LBFGSLineSearch: 7 01:49:50 -47.848750 0.001890 LBFGSLineSearch: 8 01:49:50 -47.848751 0.002261 LBFGSLineSearch: 9 01:49:51 -47.848754 0.001711 LBFGSLineSearch: 10 01:49:52 -47.848755 0.001155 LBFGSLineSearch: 11 01:49:52 -47.848755 0.000819 LBFGSLineSearch: 12 01:49:53 -47.848755 0.000454 LBFGSLineSearch: 13 01:49:54 -47.848755 0.000453 LBFGSLineSearch: 14 01:49:57 -47.848756 0.000381 LBFGSLineSearch: 15 01:49:58 -47.848756 0.000446 LBFGSLineSearch: 16 01:49:59 -47.848756 0.000509 LBFGSLineSearch: 17 01:49:59 -47.848756 0.000496 LBFGSLineSearch: 18 01:49:59 -47.848756 0.000294 LBFGSLineSearch: 19 01:50:00 -47.848756 0.000070 LBFGSLineSearch: 20 01:50:00 -47.848756 0.000021 LBFGSLineSearch: 21 01:50:00 -47.848756 0.000019 LBFGSLineSearch: 22 01:50:01 -47.848756 0.000003 Minimization converged after 22 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:07 -48.164483 0.031575 LBFGSLineSearch: 1 01:50:08 -48.164882 0.016726 LBFGSLineSearch: 2 01:50:08 -48.164919 0.004433 LBFGSLineSearch: 3 01:50:08 -48.164923 0.002426 LBFGSLineSearch: 4 01:50:08 -48.164924 0.003042 LBFGSLineSearch: 5 01:50:09 -48.164926 0.001569 LBFGSLineSearch: 6 01:50:09 -48.164928 0.001860 LBFGSLineSearch: 7 01:50:09 -48.164929 0.001945 LBFGSLineSearch: 8 01:50:09 -48.164929 0.002236 LBFGSLineSearch: 9 01:50:09 -48.164932 0.001675 LBFGSLineSearch: 10 01:50:10 -48.164933 0.001168 LBFGSLineSearch: 11 01:50:10 -48.164933 0.000829 LBFGSLineSearch: 12 01:50:12 -48.164934 0.000471 LBFGSLineSearch: 13 01:50:13 -48.164934 0.000433 LBFGSLineSearch: 14 01:50:13 -48.164934 0.000360 LBFGSLineSearch: 15 01:50:14 -48.164934 0.000425 LBFGSLineSearch: 16 01:50:16 -48.164934 0.000446 LBFGSLineSearch: 17 01:50:17 -48.164934 0.000425 LBFGSLineSearch: 18 01:50:19 -48.164934 0.000234 LBFGSLineSearch: 19 01:50:20 -48.164934 0.000059 LBFGSLineSearch: 20 01:50:22 -48.164934 0.000015 LBFGSLineSearch: 21 01:50:22 -48.164934 0.000015 LBFGSLineSearch: 22 01:50:23 -48.164934 0.000000 Minimization converged after 22 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:28 -48.481566 0.031663 LBFGSLineSearch: 1 01:50:29 -48.481971 0.016820 LBFGSLineSearch: 2 01:50:29 -48.482009 0.004437 LBFGSLineSearch: 3 01:50:29 -48.482013 0.002419 LBFGSLineSearch: 4 01:50:30 -48.482014 0.002617 LBFGSLineSearch: 5 01:50:30 -48.482015 0.002349 LBFGSLineSearch: 6 01:50:31 -48.482016 0.001559 LBFGSLineSearch: 7 01:50:33 -48.482018 0.001797 LBFGSLineSearch: 8 01:50:35 -48.482020 0.002029 LBFGSLineSearch: 9 01:50:35 -48.482020 0.001885 LBFGSLineSearch: 10 01:50:35 -48.482023 0.001554 LBFGSLineSearch: 11 01:50:36 -48.482023 0.001425 LBFGSLineSearch: 12 01:50:36 -48.482024 0.000574 LBFGSLineSearch: 13 01:50:36 -48.482024 0.000577 LBFGSLineSearch: 14 01:50:36 -48.482024 0.000558 LBFGSLineSearch: 15 01:50:37 -48.482024 0.000417 LBFGSLineSearch: 16 01:50:37 -48.482024 0.000320 LBFGSLineSearch: 17 01:50:37 -48.482024 0.000260 LBFGSLineSearch: 18 01:50:38 -48.482024 0.000296 LBFGSLineSearch: 19 01:50:38 -48.482024 0.000226 LBFGSLineSearch: 20 01:50:38 -48.482024 0.000047 LBFGSLineSearch: 21 01:50:40 -48.482024 0.000012 LBFGSLineSearch: 22 01:50:41 -48.482024 0.000011 LBFGSLineSearch: 23 01:50:41 -48.482024 0.000000 Minimization converged after 23 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:48 -48.799576 0.031755 LBFGSLineSearch: 1 01:50:48 -48.799987 0.016919 LBFGSLineSearch: 2 01:50:49 -48.800026 0.004452 LBFGSLineSearch: 3 01:50:50 -48.800031 0.002415 LBFGSLineSearch: 4 01:50:50 -48.800032 0.002631 LBFGSLineSearch: 5 01:50:51 -48.800033 0.002403 LBFGSLineSearch: 6 01:50:51 -48.800034 0.001566 LBFGSLineSearch: 7 01:50:51 -48.800036 0.001798 LBFGSLineSearch: 8 01:50:53 -48.800037 0.002002 LBFGSLineSearch: 9 01:50:53 -48.800038 0.001905 LBFGSLineSearch: 10 01:50:54 -48.800040 0.001337 LBFGSLineSearch: 11 01:50:54 -48.800040 0.001971 LBFGSLineSearch: 12 01:50:54 -48.800041 0.000691 LBFGSLineSearch: 13 01:50:55 -48.800041 0.000387 LBFGSLineSearch: 14 01:50:55 -48.800041 0.000383 LBFGSLineSearch: 15 01:50:55 -48.800041 0.000490 LBFGSLineSearch: 16 01:50:55 -48.800041 0.000314 LBFGSLineSearch: 17 01:50:56 -48.800041 0.000333 LBFGSLineSearch: 18 01:50:56 -48.800042 0.000210 LBFGSLineSearch: 19 01:50:56 -48.800042 0.000082 LBFGSLineSearch: 20 01:50:56 -48.800042 0.000039 LBFGSLineSearch: 21 01:50:57 -48.800042 0.000008 Minimization converged after 21 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:02 -49.118527 0.031854 LBFGSLineSearch: 1 01:51:02 -49.118945 0.017024 LBFGSLineSearch: 2 01:51:03 -49.118986 0.004500 LBFGSLineSearch: 3 01:51:03 -49.118990 0.002409 LBFGSLineSearch: 4 01:51:04 -49.118991 0.002644 LBFGSLineSearch: 5 01:51:04 -49.118992 0.002449 LBFGSLineSearch: 6 01:51:05 -49.118994 0.001574 LBFGSLineSearch: 7 01:51:05 -49.118995 0.001802 LBFGSLineSearch: 8 01:51:06 -49.118997 0.001976 LBFGSLineSearch: 9 01:51:06 -49.118998 0.001919 LBFGSLineSearch: 10 01:51:08 -49.119000 0.001274 LBFGSLineSearch: 11 01:51:08 -49.119000 0.001836 LBFGSLineSearch: 12 01:51:09 -49.119001 0.000642 LBFGSLineSearch: 13 01:51:09 -49.119001 0.000581 LBFGSLineSearch: 14 01:51:10 -49.119001 0.000500 LBFGSLineSearch: 15 01:51:10 -49.119001 0.000365 LBFGSLineSearch: 16 01:51:10 -49.119001 0.000285 LBFGSLineSearch: 17 01:51:11 -49.119001 0.000309 LBFGSLineSearch: 18 01:51:12 -49.119001 0.000117 LBFGSLineSearch: 19 01:51:12 -49.119001 0.000083 LBFGSLineSearch: 20 01:51:12 -49.119001 0.000057 LBFGSLineSearch: 21 01:51:12 -49.119001 0.000027 LBFGSLineSearch: 22 01:51:13 -49.119001 0.000030 LBFGSLineSearch: 23 01:51:13 -49.119001 0.000006 Minimization converged after 23 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:19 -49.438437 0.031948 LBFGSLineSearch: 1 01:51:20 -49.438862 0.017130 LBFGSLineSearch: 2 01:51:20 -49.438904 0.004550 LBFGSLineSearch: 3 01:51:21 -49.438909 0.002403 LBFGSLineSearch: 4 01:51:21 -49.438910 0.002657 LBFGSLineSearch: 5 01:51:21 -49.438911 0.002487 LBFGSLineSearch: 6 01:51:21 -49.438912 0.001583 LBFGSLineSearch: 7 01:51:22 -49.438914 0.001808 LBFGSLineSearch: 8 01:51:23 -49.438915 0.001956 LBFGSLineSearch: 9 01:51:23 -49.438916 0.001918 LBFGSLineSearch: 10 01:51:23 -49.438918 0.001228 LBFGSLineSearch: 11 01:51:23 -49.438918 0.001402 LBFGSLineSearch: 12 01:51:24 -49.438918 0.001812 LBFGSLineSearch: 13 01:51:24 -49.438919 0.000590 LBFGSLineSearch: 14 01:51:24 -49.438919 0.000344 LBFGSLineSearch: 15 01:51:24 -49.438919 0.000330 LBFGSLineSearch: 16 01:51:24 -49.438919 0.000293 LBFGSLineSearch: 17 01:51:24 -49.438919 0.000264 LBFGSLineSearch: 18 01:51:24 -49.438919 0.000338 LBFGSLineSearch: 19 01:51:25 -49.438919 0.000247 LBFGSLineSearch: 20 01:51:25 -49.438919 0.000060 LBFGSLineSearch: 21 01:51:25 -49.438919 0.000028 LBFGSLineSearch: 22 01:51:25 -49.438919 0.000028 LBFGSLineSearch: 23 01:51:25 -49.438919 0.000019 LBFGSLineSearch: 24 01:51:25 -49.438919 0.000004 Minimization converged after 24 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:33 -49.759322 0.032043 LBFGSLineSearch: 1 01:51:34 -49.759754 0.017244 LBFGSLineSearch: 2 01:51:35 -49.759797 0.004604 LBFGSLineSearch: 3 01:51:35 -49.759802 0.002402 LBFGSLineSearch: 4 01:51:36 -49.759803 0.002670 LBFGSLineSearch: 5 01:51:36 -49.759805 0.002523 LBFGSLineSearch: 6 01:51:36 -49.759806 0.001592 LBFGSLineSearch: 7 01:51:37 -49.759808 0.001817 LBFGSLineSearch: 8 01:51:37 -49.759809 0.001933 LBFGSLineSearch: 9 01:51:37 -49.759810 0.001928 LBFGSLineSearch: 10 01:51:37 -49.759812 0.001179 LBFGSLineSearch: 11 01:51:38 -49.759812 0.001358 LBFGSLineSearch: 12 01:51:38 -49.759812 0.001780 LBFGSLineSearch: 13 01:51:38 -49.759813 0.000588 LBFGSLineSearch: 14 01:51:38 -49.759813 0.000321 LBFGSLineSearch: 15 01:51:39 -49.759813 0.000305 LBFGSLineSearch: 16 01:51:39 -49.759813 0.000269 LBFGSLineSearch: 17 01:51:39 -49.759813 0.000248 LBFGSLineSearch: 18 01:51:40 -49.759813 0.000322 LBFGSLineSearch: 19 01:51:40 -49.759813 0.000045 LBFGSLineSearch: 20 01:51:40 -49.759813 0.000016 LBFGSLineSearch: 21 01:51:40 -49.759813 0.000012 LBFGSLineSearch: 22 01:51:40 -49.759813 0.000001 Minimization converged after 22 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:47 -50.081200 0.032140 LBFGSLineSearch: 1 01:51:48 -50.081639 0.017360 LBFGSLineSearch: 2 01:51:48 -50.081684 0.004659 LBFGSLineSearch: 3 01:51:48 -50.081689 0.002398 LBFGSLineSearch: 4 01:51:49 -50.081690 0.002681 LBFGSLineSearch: 5 01:51:49 -50.081691 0.002551 LBFGSLineSearch: 6 01:51:50 -50.081692 0.001603 LBFGSLineSearch: 7 01:51:50 -50.081694 0.001829 LBFGSLineSearch: 8 01:51:51 -50.081696 0.001912 LBFGSLineSearch: 9 01:51:51 -50.081696 0.001934 LBFGSLineSearch: 10 01:51:52 -50.081698 0.001135 LBFGSLineSearch: 11 01:51:52 -50.081698 0.001313 LBFGSLineSearch: 12 01:51:52 -50.081699 0.001730 LBFGSLineSearch: 13 01:51:53 -50.081699 0.000586 LBFGSLineSearch: 14 01:51:53 -50.081699 0.000298 LBFGSLineSearch: 15 01:51:53 -50.081699 0.000292 LBFGSLineSearch: 16 01:51:54 -50.081699 0.000245 LBFGSLineSearch: 17 01:51:54 -50.081699 0.000233 LBFGSLineSearch: 18 01:51:54 -50.081699 0.000278 LBFGSLineSearch: 19 01:51:55 -50.081699 0.000075 LBFGSLineSearch: 20 01:51:55 -50.081699 0.000010 Minimization converged after 20 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:04 -50.404088 0.032242 LBFGSLineSearch: 1 01:52:05 -50.404535 0.017481 LBFGSLineSearch: 2 01:52:05 -50.404581 0.004717 LBFGSLineSearch: 3 01:52:05 -50.404586 0.002397 LBFGSLineSearch: 4 01:52:05 -50.404587 0.002694 LBFGSLineSearch: 5 01:52:06 -50.404588 0.002578 LBFGSLineSearch: 6 01:52:06 -50.404590 0.001615 LBFGSLineSearch: 7 01:52:06 -50.404592 0.001846 LBFGSLineSearch: 8 01:52:06 -50.404593 0.001895 LBFGSLineSearch: 9 01:52:06 -50.404594 0.001932 LBFGSLineSearch: 10 01:52:06 -50.404595 0.001101 LBFGSLineSearch: 11 01:52:07 -50.404596 0.001268 LBFGSLineSearch: 12 01:52:07 -50.404596 0.001674 LBFGSLineSearch: 13 01:52:07 -50.404597 0.000582 LBFGSLineSearch: 14 01:52:07 -50.404597 0.000274 LBFGSLineSearch: 15 01:52:07 -50.404597 0.000291 LBFGSLineSearch: 16 01:52:08 -50.404597 0.000222 LBFGSLineSearch: 17 01:52:08 -50.404597 0.000203 LBFGSLineSearch: 18 01:52:08 -50.404597 0.000121 LBFGSLineSearch: 19 01:52:08 -50.404597 0.000024 LBFGSLineSearch: 20 01:52:08 -50.404597 0.000008 Minimization converged after 20 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:14 -50.728006 0.032344 LBFGSLineSearch: 1 01:52:15 -50.728460 0.017608 LBFGSLineSearch: 2 01:52:16 -50.728508 0.004776 LBFGSLineSearch: 3 01:52:16 -50.728513 0.002393 LBFGSLineSearch: 4 01:52:16 -50.728515 0.002704 LBFGSLineSearch: 5 01:52:17 -50.728516 0.002599 LBFGSLineSearch: 6 01:52:18 -50.728517 0.001628 LBFGSLineSearch: 7 01:52:18 -50.728519 0.001865 LBFGSLineSearch: 8 01:52:19 -50.728521 0.001875 LBFGSLineSearch: 9 01:52:19 -50.728521 0.001934 LBFGSLineSearch: 10 01:52:20 -50.728523 0.001066 LBFGSLineSearch: 11 01:52:20 -50.728523 0.001224 LBFGSLineSearch: 12 01:52:21 -50.728523 0.001615 LBFGSLineSearch: 13 01:52:21 -50.728524 0.000576 LBFGSLineSearch: 14 01:52:21 -50.728524 0.000264 LBFGSLineSearch: 15 01:52:21 -50.728524 0.000293 LBFGSLineSearch: 16 01:52:21 -50.728524 0.000204 LBFGSLineSearch: 17 01:52:22 -50.728524 0.000179 LBFGSLineSearch: 18 01:52:22 -50.728524 0.000141 LBFGSLineSearch: 19 01:52:22 -50.728524 0.000078 LBFGSLineSearch: 20 01:52:22 -50.728524 0.000026 LBFGSLineSearch: 21 01:52:22 -50.728524 0.000007 Minimization converged after 21 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:29 -51.052973 0.032449 LBFGSLineSearch: 1 01:52:30 -51.053435 0.017738 LBFGSLineSearch: 2 01:52:30 -51.053485 0.004838 LBFGSLineSearch: 3 01:52:30 -51.053490 0.002427 LBFGSLineSearch: 4 01:52:31 -51.053491 0.002715 LBFGSLineSearch: 5 01:52:31 -51.053493 0.002619 LBFGSLineSearch: 6 01:52:32 -51.053494 0.001643 LBFGSLineSearch: 7 01:52:32 -51.053496 0.001888 LBFGSLineSearch: 8 01:52:32 -51.053498 0.001859 LBFGSLineSearch: 9 01:52:33 -51.053498 0.001930 LBFGSLineSearch: 10 01:52:34 -51.053500 0.001038 LBFGSLineSearch: 11 01:52:34 -51.053500 0.001181 LBFGSLineSearch: 12 01:52:36 -51.053500 0.001546 LBFGSLineSearch: 13 01:52:36 -51.053501 0.000570 LBFGSLineSearch: 14 01:52:37 -51.053501 0.000261 LBFGSLineSearch: 15 01:52:38 -51.053501 0.000227 LBFGSLineSearch: 16 01:52:39 -51.053501 0.000226 LBFGSLineSearch: 17 01:52:39 -51.053501 0.000235 LBFGSLineSearch: 18 01:52:39 -51.053501 0.000183 LBFGSLineSearch: 19 01:52:40 -51.053501 0.000138 LBFGSLineSearch: 20 01:52:40 -51.053501 0.000068 LBFGSLineSearch: 21 01:52:40 -51.053501 0.000022 LBFGSLineSearch: 22 01:52:40 -51.053501 0.000008 Minimization converged after 22 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:48 -51.379010 0.032556 LBFGSLineSearch: 1 01:52:49 -51.379480 0.017875 LBFGSLineSearch: 2 01:52:51 -51.379532 0.004904 LBFGSLineSearch: 3 01:52:51 -51.379537 0.002486 LBFGSLineSearch: 4 01:52:51 -51.379539 0.002727 LBFGSLineSearch: 5 01:52:52 -51.379540 0.002639 LBFGSLineSearch: 6 01:52:52 -51.379541 0.001658 LBFGSLineSearch: 7 01:52:53 -51.379543 0.001915 LBFGSLineSearch: 8 01:52:53 -51.379545 0.001839 LBFGSLineSearch: 9 01:52:54 -51.379545 0.001928 LBFGSLineSearch: 10 01:52:54 -51.379547 0.001012 LBFGSLineSearch: 11 01:52:55 -51.379547 0.001140 LBFGSLineSearch: 12 01:52:55 -51.379548 0.001442 LBFGSLineSearch: 13 01:52:55 -51.379548 0.000556 LBFGSLineSearch: 14 01:52:56 -51.379548 0.000490 LBFGSLineSearch: 15 01:52:56 -51.379548 0.000271 LBFGSLineSearch: 16 01:52:57 -51.379548 0.000217 LBFGSLineSearch: 17 01:52:57 -51.379548 0.000171 LBFGSLineSearch: 18 01:52:58 -51.379548 0.000185 LBFGSLineSearch: 19 01:52:58 -51.379548 0.000136 LBFGSLineSearch: 20 01:52:59 -51.379548 0.000127 LBFGSLineSearch: 21 01:52:59 -51.379548 0.000032 LBFGSLineSearch: 22 01:53:00 -51.379548 0.000011 LBFGSLineSearch: 23 01:53:00 -51.379548 0.000005 Minimization converged after 23 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:06 -51.706137 0.032663 LBFGSLineSearch: 1 01:53:07 -51.706617 0.018007 LBFGSLineSearch: 2 01:53:08 -51.706670 0.005000 LBFGSLineSearch: 3 01:53:08 -51.706676 0.002498 LBFGSLineSearch: 4 01:53:08 -51.706677 0.002755 LBFGSLineSearch: 5 01:53:08 -51.706679 0.002711 LBFGSLineSearch: 6 01:53:08 -51.706680 0.001651 LBFGSLineSearch: 7 01:53:09 -51.706682 0.001944 LBFGSLineSearch: 8 01:53:09 -51.706684 0.001752 LBFGSLineSearch: 9 01:53:10 -51.706684 0.001942 LBFGSLineSearch: 10 01:53:10 -51.706686 0.001176 LBFGSLineSearch: 11 01:53:10 -51.706686 0.000871 LBFGSLineSearch: 12 01:53:11 -51.706687 0.000968 LBFGSLineSearch: 13 01:53:12 -51.706687 0.000625 LBFGSLineSearch: 14 01:53:12 -51.706687 0.000387 LBFGSLineSearch: 15 01:53:12 -51.706687 0.000285 LBFGSLineSearch: 16 01:53:12 -51.706687 0.000196 LBFGSLineSearch: 17 01:53:12 -51.706687 0.000156 LBFGSLineSearch: 18 01:53:13 -51.706687 0.000124 LBFGSLineSearch: 19 01:53:13 -51.706687 0.000137 LBFGSLineSearch: 20 01:53:13 -51.706687 0.000121 LBFGSLineSearch: 21 01:53:13 -51.706687 0.000034 LBFGSLineSearch: 22 01:53:13 -51.706687 0.000015 LBFGSLineSearch: 23 01:53:14 -51.706687 0.000006 Minimization converged after 23 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:21 -52.034379 0.032773 LBFGSLineSearch: 1 01:53:21 -52.034868 0.017942 LBFGSLineSearch: 2 01:53:22 -52.034922 0.005716 LBFGSLineSearch: 3 01:53:22 -52.034925 0.004601 LBFGSLineSearch: 4 01:53:22 -52.034928 0.003234 LBFGSLineSearch: 5 01:53:22 -52.034931 0.002569 LBFGSLineSearch: 6 01:53:23 -52.034933 0.001808 LBFGSLineSearch: 7 01:53:23 -52.034933 0.001666 LBFGSLineSearch: 8 01:53:23 -52.034934 0.002550 LBFGSLineSearch: 9 01:53:23 -52.034936 0.001776 LBFGSLineSearch: 10 01:53:24 -52.034937 0.001917 LBFGSLineSearch: 11 01:53:24 -52.034938 0.001706 LBFGSLineSearch: 12 01:53:25 -52.034939 0.001090 LBFGSLineSearch: 13 01:53:25 -52.034940 0.000918 LBFGSLineSearch: 14 01:53:25 -52.034940 0.000471 LBFGSLineSearch: 15 01:53:26 -52.034940 0.000412 LBFGSLineSearch: 16 01:53:26 -52.034940 0.000319 LBFGSLineSearch: 17 01:53:26 -52.034940 0.000171 LBFGSLineSearch: 18 01:53:26 -52.034940 0.000140 LBFGSLineSearch: 19 01:53:27 -52.034940 0.000097 LBFGSLineSearch: 20 01:53:27 -52.034940 0.000128 LBFGSLineSearch: 21 01:53:27 -52.034940 0.000120 LBFGSLineSearch: 22 01:53:27 -52.034940 0.000032 LBFGSLineSearch: 23 01:53:28 -52.034940 0.000019 LBFGSLineSearch: 24 01:53:28 -52.034940 0.000006 Minimization converged after 24 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:35 -52.363758 0.032886 LBFGSLineSearch: 1 01:53:36 -52.364256 0.017879 LBFGSLineSearch: 2 01:53:36 -52.364310 0.006723 LBFGSLineSearch: 3 01:53:36 -52.364315 0.004836 LBFGSLineSearch: 4 01:53:37 -52.364318 0.003276 LBFGSLineSearch: 5 01:53:37 -52.364322 0.002628 LBFGSLineSearch: 6 01:53:37 -52.364324 0.001820 LBFGSLineSearch: 7 01:53:37 -52.364324 0.001693 LBFGSLineSearch: 8 01:53:37 -52.364325 0.002594 LBFGSLineSearch: 9 01:53:38 -52.364327 0.001822 LBFGSLineSearch: 10 01:53:38 -52.364328 0.001887 LBFGSLineSearch: 11 01:53:38 -52.364329 0.001681 LBFGSLineSearch: 12 01:53:39 -52.364331 0.001055 LBFGSLineSearch: 13 01:53:39 -52.364331 0.000876 LBFGSLineSearch: 14 01:53:39 -52.364331 0.000458 LBFGSLineSearch: 15 01:53:39 -52.364331 0.000403 LBFGSLineSearch: 16 01:53:39 -52.364331 0.000305 LBFGSLineSearch: 17 01:53:39 -52.364331 0.000166 LBFGSLineSearch: 18 01:53:39 -52.364331 0.000126 LBFGSLineSearch: 19 01:53:39 -52.364331 0.000100 LBFGSLineSearch: 20 01:53:39 -52.364331 0.000124 LBFGSLineSearch: 21 01:53:39 -52.364331 0.000133 LBFGSLineSearch: 22 01:53:39 -52.364331 0.000033 LBFGSLineSearch: 23 01:53:40 -52.364331 0.000026 LBFGSLineSearch: 24 01:53:40 -52.364331 0.000007 Minimization converged after 24 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:47 -52.694299 0.033002 LBFGSLineSearch: 1 01:53:48 -52.694806 0.017816 LBFGSLineSearch: 2 01:53:49 -52.694859 0.007904 LBFGSLineSearch: 3 01:53:49 -52.694868 0.005265 LBFGSLineSearch: 4 01:53:49 -52.694870 0.004011 LBFGSLineSearch: 5 01:53:49 -52.694873 0.003922 LBFGSLineSearch: 6 01:53:49 -52.694876 0.002423 LBFGSLineSearch: 7 01:53:50 -52.694878 0.001844 LBFGSLineSearch: 8 01:53:50 -52.694878 0.001672 LBFGSLineSearch: 9 01:53:50 -52.694879 0.002836 LBFGSLineSearch: 10 01:53:50 -52.694881 0.001797 LBFGSLineSearch: 11 01:53:51 -52.694882 0.002075 LBFGSLineSearch: 12 01:53:51 -52.694883 0.001549 LBFGSLineSearch: 13 01:53:51 -52.694884 0.001012 LBFGSLineSearch: 14 01:53:51 -52.694885 0.000718 LBFGSLineSearch: 15 01:53:51 -52.694885 0.000377 LBFGSLineSearch: 16 01:53:52 -52.694885 0.000364 LBFGSLineSearch: 17 01:53:52 -52.694885 0.000164 LBFGSLineSearch: 18 01:53:52 -52.694885 0.000112 LBFGSLineSearch: 19 01:53:53 -52.694885 0.000126 LBFGSLineSearch: 20 01:53:53 -52.694885 0.000110 LBFGSLineSearch: 21 01:53:54 -52.694885 0.000119 LBFGSLineSearch: 22 01:53:55 -52.694885 0.000064 LBFGSLineSearch: 23 01:53:56 -52.694885 0.000037 LBFGSLineSearch: 24 01:53:56 -52.694885 0.000022 LBFGSLineSearch: 25 01:53:56 -52.694885 0.000007 Minimization converged after 25 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:01 -53.026028 0.033119 LBFGSLineSearch: 1 01:54:02 -53.026545 0.017754 LBFGSLineSearch: 2 01:54:02 -53.026595 0.009103 LBFGSLineSearch: 3 01:54:02 -53.026609 0.005897 LBFGSLineSearch: 4 01:54:02 -53.026612 0.004142 LBFGSLineSearch: 5 01:54:02 -53.026615 0.004133 LBFGSLineSearch: 6 01:54:02 -53.026618 0.002470 LBFGSLineSearch: 7 01:54:03 -53.026620 0.001863 LBFGSLineSearch: 8 01:54:03 -53.026620 0.001702 LBFGSLineSearch: 9 01:54:03 -53.026621 0.002889 LBFGSLineSearch: 10 01:54:03 -53.026623 0.001842 LBFGSLineSearch: 11 01:54:03 -53.026624 0.002060 LBFGSLineSearch: 12 01:54:03 -53.026625 0.001535 LBFGSLineSearch: 13 01:54:04 -53.026627 0.000983 LBFGSLineSearch: 14 01:54:04 -53.026627 0.000721 LBFGSLineSearch: 15 01:54:04 -53.026627 0.000366 LBFGSLineSearch: 16 01:54:04 -53.026627 0.000330 LBFGSLineSearch: 17 01:54:05 -53.026627 0.000248 LBFGSLineSearch: 18 01:54:05 -53.026627 0.000140 LBFGSLineSearch: 19 01:54:05 -53.026627 0.000097 LBFGSLineSearch: 20 01:54:05 -53.026627 0.000104 LBFGSLineSearch: 21 01:54:05 -53.026627 0.000102 LBFGSLineSearch: 22 01:54:06 -53.026627 0.000034 LBFGSLineSearch: 23 01:54:06 -53.026627 0.000016 LBFGSLineSearch: 24 01:54:06 -53.026627 0.000007 Minimization converged after 24 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:12 -53.358973 0.033240 LBFGSLineSearch: 1 01:54:12 -53.359499 0.017693 LBFGSLineSearch: 2 01:54:13 -53.359547 0.010209 LBFGSLineSearch: 3 01:54:13 -53.359565 0.006680 LBFGSLineSearch: 4 01:54:13 -53.359570 0.004255 LBFGSLineSearch: 5 01:54:13 -53.359573 0.004325 LBFGSLineSearch: 6 01:54:13 -53.359576 0.002518 LBFGSLineSearch: 7 01:54:13 -53.359578 0.001889 LBFGSLineSearch: 8 01:54:13 -53.359578 0.001729 LBFGSLineSearch: 9 01:54:13 -53.359579 0.002951 LBFGSLineSearch: 10 01:54:13 -53.359581 0.001884 LBFGSLineSearch: 11 01:54:14 -53.359582 0.002142 LBFGSLineSearch: 12 01:54:14 -53.359583 0.001536 LBFGSLineSearch: 13 01:54:14 -53.359585 0.000957 LBFGSLineSearch: 14 01:54:14 -53.359585 0.000777 LBFGSLineSearch: 15 01:54:15 -53.359585 0.000368 LBFGSLineSearch: 16 01:54:15 -53.359585 0.000316 LBFGSLineSearch: 17 01:54:15 -53.359585 0.000249 LBFGSLineSearch: 18 01:54:15 -53.359585 0.000135 LBFGSLineSearch: 19 01:54:15 -53.359585 0.000083 LBFGSLineSearch: 20 01:54:16 -53.359585 0.000085 LBFGSLineSearch: 21 01:54:16 -53.359585 0.000089 LBFGSLineSearch: 22 01:54:16 -53.359585 0.000064 LBFGSLineSearch: 23 01:54:16 -53.359585 0.000034 LBFGSLineSearch: 24 01:54:17 -53.359585 0.000041 LBFGSLineSearch: 25 01:54:17 -53.359585 0.000007 Minimization converged after 25 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:25 -53.693161 0.033363 LBFGSLineSearch: 1 01:54:25 -53.693698 0.017634 LBFGSLineSearch: 2 01:54:25 -53.693744 0.011182 LBFGSLineSearch: 3 01:54:25 -53.693771 0.004819 LBFGSLineSearch: 4 01:54:26 -53.693776 0.002555 LBFGSLineSearch: 5 01:54:26 -53.693778 0.002542 LBFGSLineSearch: 6 01:54:26 -53.693779 0.002301 LBFGSLineSearch: 7 01:54:26 -53.693781 0.001776 LBFGSLineSearch: 8 01:54:26 -53.693783 0.002154 LBFGSLineSearch: 9 01:54:26 -53.693785 0.001733 LBFGSLineSearch: 10 01:54:26 -53.693786 0.001690 LBFGSLineSearch: 11 01:54:26 -53.693787 0.000845 LBFGSLineSearch: 12 01:54:26 -53.693787 0.000911 LBFGSLineSearch: 13 01:54:27 -53.693788 0.001137 LBFGSLineSearch: 14 01:54:27 -53.693788 0.000436 LBFGSLineSearch: 15 01:54:27 -53.693788 0.000352 LBFGSLineSearch: 16 01:54:27 -53.693788 0.000246 LBFGSLineSearch: 17 01:54:27 -53.693788 0.000148 LBFGSLineSearch: 18 01:54:27 -53.693788 0.000070 LBFGSLineSearch: 19 01:54:28 -53.693788 0.000070 LBFGSLineSearch: 20 01:54:28 -53.693788 0.000064 LBFGSLineSearch: 21 01:54:28 -53.693788 0.000082 LBFGSLineSearch: 22 01:54:28 -53.693788 0.000085 LBFGSLineSearch: 23 01:54:28 -53.693788 0.000042 LBFGSLineSearch: 24 01:54:28 -53.693788 0.000045 LBFGSLineSearch: 25 01:54:28 -53.693788 0.000022 LBFGSLineSearch: 26 01:54:29 -53.693788 0.000007 Minimization converged after 26 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:37 -54.028623 0.033488 LBFGSLineSearch: 1 01:54:38 -54.029170 0.017575 LBFGSLineSearch: 2 01:54:38 -54.029216 0.012020 LBFGSLineSearch: 3 01:54:38 -54.029248 0.004930 LBFGSLineSearch: 4 01:54:39 -54.029253 0.002657 LBFGSLineSearch: 5 01:54:39 -54.029256 0.002563 LBFGSLineSearch: 6 01:54:39 -54.029257 0.002305 LBFGSLineSearch: 7 01:54:39 -54.029258 0.001807 LBFGSLineSearch: 8 01:54:39 -54.029261 0.002205 LBFGSLineSearch: 9 01:54:40 -54.029263 0.001726 LBFGSLineSearch: 10 01:54:40 -54.029264 0.001663 LBFGSLineSearch: 11 01:54:40 -54.029265 0.000842 LBFGSLineSearch: 12 01:54:40 -54.029265 0.000893 LBFGSLineSearch: 13 01:54:40 -54.029265 0.001074 LBFGSLineSearch: 14 01:54:40 -54.029266 0.000460 LBFGSLineSearch: 15 01:54:40 -54.029266 0.000343 LBFGSLineSearch: 16 01:54:40 -54.029266 0.000274 LBFGSLineSearch: 17 01:54:40 -54.029266 0.000222 LBFGSLineSearch: 18 01:54:41 -54.029266 0.000132 LBFGSLineSearch: 19 01:54:41 -54.029266 0.000056 LBFGSLineSearch: 20 01:54:41 -54.029266 0.000057 LBFGSLineSearch: 21 01:54:41 -54.029266 0.000055 LBFGSLineSearch: 22 01:54:41 -54.029266 0.000048 LBFGSLineSearch: 23 01:54:41 -54.029266 0.000061 LBFGSLineSearch: 24 01:54:41 -54.029266 0.000043 LBFGSLineSearch: 25 01:54:41 -54.029266 0.000038 LBFGSLineSearch: 26 01:54:41 -54.029266 0.000007 Minimization converged after 26 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:50 -54.365391 0.033616 LBFGSLineSearch: 1 01:54:50 -54.365949 0.017520 LBFGSLineSearch: 2 01:54:50 -54.365995 0.012740 LBFGSLineSearch: 3 01:54:51 -54.366032 0.005044 LBFGSLineSearch: 4 01:54:51 -54.366039 0.003089 LBFGSLineSearch: 5 01:54:51 -54.366042 0.001691 LBFGSLineSearch: 6 01:54:52 -54.366043 0.001805 LBFGSLineSearch: 7 01:54:53 -54.366043 0.002369 LBFGSLineSearch: 8 01:54:53 -54.366046 0.001928 LBFGSLineSearch: 9 01:54:54 -54.366046 0.002306 LBFGSLineSearch: 10 01:54:54 -54.366048 0.001279 LBFGSLineSearch: 11 01:54:54 -54.366048 0.001601 LBFGSLineSearch: 12 01:54:55 -54.366049 0.001579 LBFGSLineSearch: 13 01:54:55 -54.366050 0.000923 LBFGSLineSearch: 14 01:54:55 -54.366050 0.000388 LBFGSLineSearch: 15 01:54:56 -54.366050 0.000291 LBFGSLineSearch: 16 01:54:57 -54.366050 0.000145 LBFGSLineSearch: 17 01:54:57 -54.366050 0.000099 LBFGSLineSearch: 18 01:54:57 -54.366050 0.000052 LBFGSLineSearch: 19 01:54:57 -54.366050 0.000051 LBFGSLineSearch: 20 01:54:57 -54.366050 0.000039 LBFGSLineSearch: 21 01:54:57 -54.366050 0.000037 LBFGSLineSearch: 22 01:54:58 -54.366050 0.000035 LBFGSLineSearch: 23 01:54:58 -54.366050 0.000023 LBFGSLineSearch: 24 01:54:58 -54.366050 0.000031 LBFGSLineSearch: 25 01:54:58 -54.366050 0.000007 Minimization converged after 25 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:05 -54.703500 0.033749 LBFGSLineSearch: 1 01:55:05 -54.704069 0.017465 LBFGSLineSearch: 2 01:55:05 -54.704116 0.013437 LBFGSLineSearch: 3 01:55:06 -54.704157 0.005163 LBFGSLineSearch: 4 01:55:06 -54.704165 0.003147 LBFGSLineSearch: 5 01:55:06 -54.704167 0.001823 LBFGSLineSearch: 6 01:55:06 -54.704168 0.001791 LBFGSLineSearch: 7 01:55:07 -54.704169 0.002297 LBFGSLineSearch: 8 01:55:07 -54.704171 0.001828 LBFGSLineSearch: 9 01:55:07 -54.704172 0.002147 LBFGSLineSearch: 10 01:55:07 -54.704173 0.002128 LBFGSLineSearch: 11 01:55:08 -54.704174 0.001615 LBFGSLineSearch: 12 01:55:08 -54.704176 0.000914 LBFGSLineSearch: 13 01:55:08 -54.704176 0.000752 LBFGSLineSearch: 14 01:55:08 -54.704176 0.000646 LBFGSLineSearch: 15 01:55:08 -54.704176 0.000342 LBFGSLineSearch: 16 01:55:09 -54.704176 0.000254 LBFGSLineSearch: 17 01:55:09 -54.704176 0.000214 LBFGSLineSearch: 18 01:55:09 -54.704176 0.000122 LBFGSLineSearch: 19 01:55:09 -54.704176 0.000106 LBFGSLineSearch: 20 01:55:09 -54.704176 0.000053 LBFGSLineSearch: 21 01:55:10 -54.704176 0.000046 LBFGSLineSearch: 22 01:55:10 -54.704176 0.000031 LBFGSLineSearch: 23 01:55:10 -54.704176 0.000025 LBFGSLineSearch: 24 01:55:10 -54.704176 0.000018 LBFGSLineSearch: 25 01:55:11 -54.704176 0.000004 Minimization converged after 25 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:18 -55.042984 0.033884 LBFGSLineSearch: 1 01:55:18 -55.043565 0.017414 LBFGSLineSearch: 2 01:55:18 -55.043613 0.014329 LBFGSLineSearch: 3 01:55:18 -55.043659 0.005288 LBFGSLineSearch: 4 01:55:18 -55.043667 0.003210 LBFGSLineSearch: 5 01:55:19 -55.043670 0.001958 LBFGSLineSearch: 6 01:55:19 -55.043671 0.001770 LBFGSLineSearch: 7 01:55:19 -55.043671 0.002293 LBFGSLineSearch: 8 01:55:19 -55.043674 0.002300 LBFGSLineSearch: 9 01:55:19 -55.043675 0.001853 LBFGSLineSearch: 10 01:55:19 -55.043677 0.001833 LBFGSLineSearch: 11 01:55:19 -55.043677 0.001432 LBFGSLineSearch: 12 01:55:20 -55.043678 0.000897 LBFGSLineSearch: 13 01:55:20 -55.043679 0.000457 LBFGSLineSearch: 14 01:55:20 -55.043679 0.000328 LBFGSLineSearch: 15 01:55:20 -55.043679 0.000270 LBFGSLineSearch: 16 01:55:20 -55.043679 0.000131 LBFGSLineSearch: 17 01:55:21 -55.043679 0.000061 LBFGSLineSearch: 18 01:55:21 -55.043679 0.000045 LBFGSLineSearch: 19 01:55:21 -55.043679 0.000021 LBFGSLineSearch: 20 01:55:21 -55.043679 0.000022 LBFGSLineSearch: 21 01:55:21 -55.043679 0.000015 LBFGSLineSearch: 22 01:55:22 -55.043679 0.000004 Minimization converged after 22 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:32 -55.383883 0.034023 LBFGSLineSearch: 1 01:55:32 -55.384475 0.017361 LBFGSLineSearch: 2 01:55:32 -55.384525 0.015098 LBFGSLineSearch: 3 01:55:32 -55.384576 0.005423 LBFGSLineSearch: 4 01:55:33 -55.384585 0.003274 LBFGSLineSearch: 5 01:55:33 -55.384587 0.002095 LBFGSLineSearch: 6 01:55:33 -55.384588 0.001752 LBFGSLineSearch: 7 01:55:33 -55.384589 0.002322 LBFGSLineSearch: 8 01:55:33 -55.384592 0.002360 LBFGSLineSearch: 9 01:55:33 -55.384593 0.001961 LBFGSLineSearch: 10 01:55:33 -55.384595 0.001823 LBFGSLineSearch: 11 01:55:34 -55.384595 0.001406 LBFGSLineSearch: 12 01:55:34 -55.384597 0.000891 LBFGSLineSearch: 13 01:55:34 -55.384597 0.000428 LBFGSLineSearch: 14 01:55:34 -55.384597 0.000317 LBFGSLineSearch: 15 01:55:34 -55.384597 0.000267 LBFGSLineSearch: 16 01:55:35 -55.384597 0.000124 LBFGSLineSearch: 17 01:55:35 -55.384597 0.000066 LBFGSLineSearch: 18 01:55:35 -55.384597 0.000038 LBFGSLineSearch: 19 01:55:35 -55.384597 0.000023 LBFGSLineSearch: 20 01:55:36 -55.384597 0.000025 LBFGSLineSearch: 21 01:55:36 -55.384597 0.000018 LBFGSLineSearch: 22 01:55:36 -55.384597 0.000003 Minimization converged after 22 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:44 -55.726237 0.034164 LBFGSLineSearch: 1 01:55:46 -55.726841 0.017313 LBFGSLineSearch: 2 01:55:46 -55.726884 0.016438 LBFGSLineSearch: 3 01:55:47 -55.726921 0.011950 LBFGSLineSearch: 4 01:55:47 -55.726946 0.007348 LBFGSLineSearch: 5 01:55:47 -55.726952 0.005023 LBFGSLineSearch: 6 01:55:47 -55.726955 0.003800 LBFGSLineSearch: 7 01:55:47 -55.726960 0.002398 LBFGSLineSearch: 8 01:55:48 -55.726962 0.002575 LBFGSLineSearch: 9 01:55:48 -55.726963 0.002042 LBFGSLineSearch: 10 01:55:49 -55.726964 0.002748 LBFGSLineSearch: 11 01:55:49 -55.726967 0.002606 LBFGSLineSearch: 12 01:55:50 -55.726968 0.002013 LBFGSLineSearch: 13 01:55:50 -55.726968 0.001978 LBFGSLineSearch: 14 01:55:50 -55.726970 0.001247 LBFGSLineSearch: 15 01:55:51 -55.726970 0.001200 LBFGSLineSearch: 16 01:55:51 -55.726971 0.001397 LBFGSLineSearch: 17 01:55:51 -55.726971 0.000846 LBFGSLineSearch: 18 01:55:52 -55.726972 0.000201 LBFGSLineSearch: 19 01:55:53 -55.726972 0.000138 LBFGSLineSearch: 20 01:55:53 -55.726972 0.000089 LBFGSLineSearch: 21 01:55:53 -55.726972 0.000055 LBFGSLineSearch: 22 01:55:53 -55.726972 0.000055 LBFGSLineSearch: 23 01:55:54 -55.726972 0.000045 LBFGSLineSearch: 24 01:55:56 -55.726972 0.000034 LBFGSLineSearch: 25 01:55:57 -55.726972 0.000030 LBFGSLineSearch: 26 01:55:57 -55.726972 0.000026 LBFGSLineSearch: 27 01:55:58 -55.726972 0.000023 LBFGSLineSearch: 28 01:55:58 -55.726972 0.000009 Minimization converged after 28 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:06 -56.070089 0.034317 LBFGSLineSearch: 1 01:56:06 -56.070706 0.017268 LBFGSLineSearch: 2 01:56:06 -56.070753 0.016748 LBFGSLineSearch: 3 01:56:06 -56.070801 0.010569 LBFGSLineSearch: 4 01:56:07 -56.070825 0.005082 LBFGSLineSearch: 5 01:56:07 -56.070834 0.003108 LBFGSLineSearch: 6 01:56:07 -56.070836 0.002185 LBFGSLineSearch: 7 01:56:07 -56.070837 0.002060 LBFGSLineSearch: 8 01:56:07 -56.070838 0.003130 LBFGSLineSearch: 9 01:56:08 -56.070842 0.002354 LBFGSLineSearch: 10 01:56:08 -56.070842 0.002382 LBFGSLineSearch: 11 01:56:08 -56.070844 0.001601 LBFGSLineSearch: 12 01:56:08 -56.070846 0.001100 LBFGSLineSearch: 13 01:56:08 -56.070846 0.000819 LBFGSLineSearch: 14 01:56:09 -56.070846 0.000991 LBFGSLineSearch: 15 01:56:09 -56.070846 0.000502 LBFGSLineSearch: 16 01:56:09 -56.070846 0.000260 LBFGSLineSearch: 17 01:56:09 -56.070847 0.000155 LBFGSLineSearch: 18 01:56:09 -56.070847 0.000104 LBFGSLineSearch: 19 01:56:09 -56.070847 0.000105 LBFGSLineSearch: 20 01:56:10 -56.070847 0.000083 LBFGSLineSearch: 21 01:56:10 -56.070847 0.000063 LBFGSLineSearch: 22 01:56:10 -56.070847 0.000054 LBFGSLineSearch: 23 01:56:10 -56.070847 0.000039 LBFGSLineSearch: 24 01:56:10 -56.070847 0.000068 LBFGSLineSearch: 25 01:56:10 -56.070847 0.000034 LBFGSLineSearch: 26 01:56:10 -56.070847 0.000041 LBFGSLineSearch: 27 01:56:11 -56.070847 0.000007 Minimization converged after 27 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:17 -56.415487 0.034468 LBFGSLineSearch: 1 01:56:18 -56.416117 0.017226 LBFGSLineSearch: 2 01:56:18 -56.416168 0.017077 LBFGSLineSearch: 3 01:56:18 -56.416218 0.011101 LBFGSLineSearch: 4 01:56:18 -56.416245 0.005246 LBFGSLineSearch: 5 01:56:18 -56.416255 0.003173 LBFGSLineSearch: 6 01:56:19 -56.416257 0.002222 LBFGSLineSearch: 7 01:56:19 -56.416259 0.002104 LBFGSLineSearch: 8 01:56:19 -56.416260 0.003230 LBFGSLineSearch: 9 01:56:19 -56.416263 0.002391 LBFGSLineSearch: 10 01:56:19 -56.416264 0.002531 LBFGSLineSearch: 11 01:56:20 -56.416266 0.001365 LBFGSLineSearch: 12 01:56:20 -56.416266 0.001496 LBFGSLineSearch: 13 01:56:20 -56.416267 0.001685 LBFGSLineSearch: 14 01:56:20 -56.416268 0.000897 LBFGSLineSearch: 15 01:56:20 -56.416268 0.000308 LBFGSLineSearch: 16 01:56:20 -56.416268 0.000265 LBFGSLineSearch: 17 01:56:21 -56.416268 0.000253 LBFGSLineSearch: 18 01:56:21 -56.416268 0.000124 LBFGSLineSearch: 19 01:56:21 -56.416269 0.000087 LBFGSLineSearch: 20 01:56:21 -56.416269 0.000076 LBFGSLineSearch: 21 01:56:21 -56.416269 0.000058 LBFGSLineSearch: 22 01:56:22 -56.416269 0.000091 LBFGSLineSearch: 23 01:56:22 -56.416269 0.000052 LBFGSLineSearch: 24 01:56:22 -56.416269 0.000055 LBFGSLineSearch: 25 01:56:23 -56.416269 0.000016 LBFGSLineSearch: 26 01:56:23 -56.416269 0.000007 Minimization converged after 26 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:32 -56.762481 0.034625 LBFGSLineSearch: 1 01:56:32 -56.763124 0.017189 LBFGSLineSearch: 2 01:56:32 -56.763181 0.017427 LBFGSLineSearch: 3 01:56:33 -56.763233 0.011633 LBFGSLineSearch: 4 01:56:33 -56.763264 0.005422 LBFGSLineSearch: 5 01:56:33 -56.763274 0.003244 LBFGSLineSearch: 6 01:56:33 -56.763277 0.002267 LBFGSLineSearch: 7 01:56:33 -56.763278 0.002155 LBFGSLineSearch: 8 01:56:33 -56.763279 0.003341 LBFGSLineSearch: 9 01:56:33 -56.763283 0.002418 LBFGSLineSearch: 10 01:56:34 -56.763284 0.002653 LBFGSLineSearch: 11 01:56:34 -56.763286 0.001169 LBFGSLineSearch: 12 01:56:34 -56.763286 0.001515 LBFGSLineSearch: 13 01:56:34 -56.763287 0.001674 LBFGSLineSearch: 14 01:56:34 -56.763288 0.000819 LBFGSLineSearch: 15 01:56:34 -56.763288 0.000856 LBFGSLineSearch: 16 01:56:34 -56.763288 0.000747 LBFGSLineSearch: 17 01:56:34 -56.763288 0.000200 LBFGSLineSearch: 18 01:56:34 -56.763288 0.000222 LBFGSLineSearch: 19 01:56:34 -56.763288 0.000174 LBFGSLineSearch: 20 01:56:34 -56.763288 0.000148 LBFGSLineSearch: 21 01:56:35 -56.763289 0.000104 LBFGSLineSearch: 22 01:56:35 -56.763289 0.000111 LBFGSLineSearch: 23 01:56:35 -56.763289 0.000117 LBFGSLineSearch: 24 01:56:35 -56.763289 0.000106 LBFGSLineSearch: 25 01:56:35 -56.763289 0.000076 LBFGSLineSearch: 26 01:56:35 -56.763289 0.000007 Minimization converged after 26 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:42 -57.111126 0.034789 LBFGSLineSearch: 1 01:56:43 -57.111783 0.017164 LBFGSLineSearch: 2 01:56:43 -57.111846 0.017808 LBFGSLineSearch: 3 01:56:44 -57.111901 0.012179 LBFGSLineSearch: 4 01:56:44 -57.111935 0.005612 LBFGSLineSearch: 5 01:56:45 -57.111946 0.003317 LBFGSLineSearch: 6 01:56:45 -57.111949 0.002318 LBFGSLineSearch: 7 01:56:45 -57.111950 0.002209 LBFGSLineSearch: 8 01:56:45 -57.111951 0.003465 LBFGSLineSearch: 9 01:56:45 -57.111955 0.002432 LBFGSLineSearch: 10 01:56:46 -57.111956 0.002615 LBFGSLineSearch: 11 01:56:46 -57.111957 0.002475 LBFGSLineSearch: 12 01:56:46 -57.111959 0.001562 LBFGSLineSearch: 13 01:56:46 -57.111961 0.000762 LBFGSLineSearch: 14 01:56:46 -57.111961 0.000888 LBFGSLineSearch: 15 01:56:46 -57.111961 0.001039 LBFGSLineSearch: 16 01:56:46 -57.111962 0.000267 LBFGSLineSearch: 17 01:56:47 -57.111962 0.000234 LBFGSLineSearch: 18 01:56:47 -57.111962 0.000194 LBFGSLineSearch: 19 01:56:47 -57.111962 0.000142 LBFGSLineSearch: 20 01:56:48 -57.111962 0.000128 LBFGSLineSearch: 21 01:56:48 -57.111962 0.000142 LBFGSLineSearch: 22 01:56:48 -57.111962 0.000144 LBFGSLineSearch: 23 01:56:48 -57.111962 0.000165 LBFGSLineSearch: 24 01:56:48 -57.111962 0.000071 LBFGSLineSearch: 25 01:56:48 -57.111962 0.000091 LBFGSLineSearch: 26 01:56:48 -57.111962 0.000098 LBFGSLineSearch: 27 01:56:49 -57.111962 0.000009 Minimization converged after 27 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:56 -57.461481 0.034956 LBFGSLineSearch: 1 01:56:56 -57.462153 0.017122 LBFGSLineSearch: 2 01:56:56 -57.462223 0.018196 LBFGSLineSearch: 3 01:56:57 -57.462281 0.012732 LBFGSLineSearch: 4 01:56:57 -57.462318 0.005814 LBFGSLineSearch: 5 01:56:57 -57.462330 0.003392 LBFGSLineSearch: 6 01:56:57 -57.462333 0.002376 LBFGSLineSearch: 7 01:56:57 -57.462335 0.002268 LBFGSLineSearch: 8 01:56:57 -57.462336 0.003609 LBFGSLineSearch: 9 01:56:57 -57.462341 0.002428 LBFGSLineSearch: 10 01:56:57 -57.462342 0.002739 LBFGSLineSearch: 11 01:56:57 -57.462343 0.002576 LBFGSLineSearch: 12 01:56:57 -57.462345 0.001607 LBFGSLineSearch: 13 01:56:58 -57.462347 0.000810 LBFGSLineSearch: 14 01:56:58 -57.462347 0.000918 LBFGSLineSearch: 15 01:56:58 -57.462347 0.001083 LBFGSLineSearch: 16 01:56:58 -57.462348 0.000341 LBFGSLineSearch: 17 01:56:58 -57.462348 0.000288 LBFGSLineSearch: 18 01:56:58 -57.462348 0.000254 LBFGSLineSearch: 19 01:56:58 -57.462348 0.000234 LBFGSLineSearch: 20 01:56:58 -57.462348 0.000170 LBFGSLineSearch: 21 01:56:58 -57.462348 0.000163 LBFGSLineSearch: 22 01:56:58 -57.462348 0.000177 LBFGSLineSearch: 23 01:56:58 -57.462348 0.000223 LBFGSLineSearch: 24 01:56:59 -57.462348 0.000108 LBFGSLineSearch: 25 01:56:59 -57.462348 0.000102 LBFGSLineSearch: 26 01:56:59 -57.462348 0.000093 LBFGSLineSearch: 27 01:56:59 -57.462348 0.000015 LBFGSLineSearch: 28 01:56:59 -57.462348 0.000008 Minimization converged after 28 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:07 -57.813613 0.035131 LBFGSLineSearch: 1 01:57:08 -57.814299 0.017096 LBFGSLineSearch: 2 01:57:08 -57.814378 0.018622 LBFGSLineSearch: 3 01:57:08 -57.814439 0.013326 LBFGSLineSearch: 4 01:57:08 -57.814481 0.006034 LBFGSLineSearch: 5 01:57:09 -57.814494 0.003467 LBFGSLineSearch: 6 01:57:09 -57.814497 0.002441 LBFGSLineSearch: 7 01:57:09 -57.814499 0.002330 LBFGSLineSearch: 8 01:57:09 -57.814500 0.003786 LBFGSLineSearch: 9 01:57:10 -57.814505 0.002420 LBFGSLineSearch: 10 01:57:10 -57.814506 0.002885 LBFGSLineSearch: 11 01:57:10 -57.814508 0.002691 LBFGSLineSearch: 12 01:57:10 -57.814510 0.001671 LBFGSLineSearch: 13 01:57:10 -57.814512 0.001367 LBFGSLineSearch: 14 01:57:10 -57.814513 0.000904 LBFGSLineSearch: 15 01:57:10 -57.814513 0.000921 LBFGSLineSearch: 16 01:57:10 -57.814513 0.001293 LBFGSLineSearch: 17 01:57:10 -57.814513 0.000355 LBFGSLineSearch: 18 01:57:11 -57.814514 0.000310 LBFGSLineSearch: 19 01:57:11 -57.814514 0.000309 LBFGSLineSearch: 20 01:57:11 -57.814514 0.000488 LBFGSLineSearch: 21 01:57:11 -57.814514 0.000216 LBFGSLineSearch: 22 01:57:11 -57.814514 0.000200 LBFGSLineSearch: 23 01:57:11 -57.814514 0.000275 LBFGSLineSearch: 24 01:57:11 -57.814514 0.000373 LBFGSLineSearch: 25 01:57:11 -57.814514 0.000099 LBFGSLineSearch: 26 01:57:11 -57.814514 0.000115 LBFGSLineSearch: 27 01:57:11 -57.814514 0.000054 LBFGSLineSearch: 28 01:57:12 -57.814514 0.000007 Minimization converged after 28 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:18 -58.167593 0.035312 LBFGSLineSearch: 1 01:57:19 -58.168295 0.017077 LBFGSLineSearch: 2 01:57:20 -58.168383 0.019083 LBFGSLineSearch: 3 01:57:20 -58.168449 0.013954 LBFGSLineSearch: 4 01:57:21 -58.168495 0.006274 LBFGSLineSearch: 5 01:57:22 -58.168509 0.003541 LBFGSLineSearch: 6 01:57:22 -58.168512 0.002516 LBFGSLineSearch: 7 01:57:22 -58.168514 0.002397 LBFGSLineSearch: 8 01:57:23 -58.168516 0.004001 LBFGSLineSearch: 9 01:57:23 -58.168523 0.003163 LBFGSLineSearch: 10 01:57:24 -58.168524 0.003010 LBFGSLineSearch: 11 01:57:24 -58.168528 0.001570 LBFGSLineSearch: 12 01:57:24 -58.168528 0.001704 LBFGSLineSearch: 13 01:57:25 -58.168529 0.002194 LBFGSLineSearch: 14 01:57:25 -58.168531 0.000768 LBFGSLineSearch: 15 01:57:25 -58.168531 0.001011 LBFGSLineSearch: 16 01:57:25 -58.168531 0.001374 LBFGSLineSearch: 17 01:57:26 -58.168532 0.000438 LBFGSLineSearch: 18 01:57:26 -58.168532 0.000467 LBFGSLineSearch: 19 01:57:26 -58.168532 0.000377 LBFGSLineSearch: 20 01:57:27 -58.168532 0.000294 LBFGSLineSearch: 21 01:57:27 -58.168532 0.000262 LBFGSLineSearch: 22 01:57:27 -58.168532 0.000323 LBFGSLineSearch: 23 01:57:28 -58.168532 0.000360 LBFGSLineSearch: 24 01:57:29 -58.168532 0.000129 LBFGSLineSearch: 25 01:57:29 -58.168532 0.000024 LBFGSLineSearch: 26 01:57:30 -58.168532 0.000008 Minimization converged after 26 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:37 -58.523504 0.035503 LBFGSLineSearch: 1 01:57:37 -58.524222 0.017067 LBFGSLineSearch: 2 01:57:37 -58.524320 0.019582 LBFGSLineSearch: 3 01:57:37 -58.524391 0.014641 LBFGSLineSearch: 4 01:57:37 -58.524442 0.006536 LBFGSLineSearch: 5 01:57:38 -58.524458 0.003604 LBFGSLineSearch: 6 01:57:38 -58.524462 0.002728 LBFGSLineSearch: 7 01:57:38 -58.524464 0.002500 LBFGSLineSearch: 8 01:57:38 -58.524466 0.004274 LBFGSLineSearch: 9 01:57:38 -58.524474 0.003342 LBFGSLineSearch: 10 01:57:38 -58.524476 0.003358 LBFGSLineSearch: 11 01:57:38 -58.524480 0.001535 LBFGSLineSearch: 12 01:57:38 -58.524481 0.001829 LBFGSLineSearch: 13 01:57:38 -58.524481 0.002134 LBFGSLineSearch: 14 01:57:38 -58.524484 0.001490 LBFGSLineSearch: 15 01:57:38 -58.524484 0.000958 LBFGSLineSearch: 16 01:57:38 -58.524484 0.001098 LBFGSLineSearch: 17 01:57:38 -58.524485 0.001100 LBFGSLineSearch: 18 01:57:38 -58.524485 0.000533 LBFGSLineSearch: 19 01:57:38 -58.524486 0.000665 LBFGSLineSearch: 20 01:57:38 -58.524486 0.000595 LBFGSLineSearch: 21 01:57:38 -58.524486 0.000351 LBFGSLineSearch: 22 01:57:38 -58.524486 0.000260 LBFGSLineSearch: 23 01:57:38 -58.524486 0.000325 LBFGSLineSearch: 24 01:57:38 -58.524486 0.000418 LBFGSLineSearch: 25 01:57:38 -58.524486 0.000515 LBFGSLineSearch: 26 01:57:39 -58.524486 0.000129 LBFGSLineSearch: 27 01:57:39 -58.524486 0.000047 LBFGSLineSearch: 28 01:57:39 -58.524486 0.000006 Minimization converged after 28 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:46 -58.881438 0.035699 LBFGSLineSearch: 1 01:57:47 -58.882174 0.017068 LBFGSLineSearch: 2 01:57:47 -58.882283 0.020136 LBFGSLineSearch: 3 01:57:47 -58.882361 0.015385 LBFGSLineSearch: 4 01:57:47 -58.882418 0.006820 LBFGSLineSearch: 5 01:57:48 -58.882436 0.003678 LBFGSLineSearch: 6 01:57:48 -58.882440 0.003006 LBFGSLineSearch: 7 01:57:48 -58.882443 0.002622 LBFGSLineSearch: 8 01:57:48 -58.882444 0.003763 LBFGSLineSearch: 9 01:57:48 -58.882447 0.004859 LBFGSLineSearch: 10 01:57:48 -58.882456 0.003547 LBFGSLineSearch: 11 01:57:48 -58.882457 0.003426 LBFGSLineSearch: 12 01:57:48 -58.882462 0.001747 LBFGSLineSearch: 13 01:57:48 -58.882463 0.001965 LBFGSLineSearch: 14 01:57:48 -58.882464 0.002368 LBFGSLineSearch: 15 01:57:48 -58.882467 0.001556 LBFGSLineSearch: 16 01:57:48 -58.882468 0.001102 LBFGSLineSearch: 17 01:57:48 -58.882468 0.001225 LBFGSLineSearch: 18 01:57:49 -58.882468 0.001215 LBFGSLineSearch: 19 01:57:49 -58.882469 0.000663 LBFGSLineSearch: 20 01:57:49 -58.882470 0.000609 LBFGSLineSearch: 21 01:57:49 -58.882470 0.000919 LBFGSLineSearch: 22 01:57:49 -58.882470 0.000625 LBFGSLineSearch: 23 01:57:49 -58.882470 0.000690 LBFGSLineSearch: 24 01:57:49 -58.882470 0.000671 LBFGSLineSearch: 25 01:57:50 -58.882471 0.000430 LBFGSLineSearch: 26 01:57:50 -58.882471 0.000437 LBFGSLineSearch: 27 01:57:50 -58.882471 0.000249 LBFGSLineSearch: 28 01:57:51 -58.882471 0.000149 LBFGSLineSearch: 29 01:57:51 -58.882471 0.000136 LBFGSLineSearch: 30 01:57:51 -58.882471 0.000104 LBFGSLineSearch: 31 01:57:51 -58.882471 0.000071 LBFGSLineSearch: 32 01:57:52 -58.882471 0.000013 LBFGSLineSearch: 33 01:57:52 -58.882471 0.000004 Minimization converged after 33 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:00 -59.241507 0.035906 LBFGSLineSearch: 1 01:58:01 -59.242260 0.017190 LBFGSLineSearch: 2 01:58:01 -59.242382 0.020866 LBFGSLineSearch: 3 01:58:01 -59.242467 0.016196 LBFGSLineSearch: 4 01:58:01 -59.242531 0.007129 LBFGSLineSearch: 5 01:58:01 -59.242551 0.003903 LBFGSLineSearch: 6 01:58:02 -59.242556 0.003327 LBFGSLineSearch: 7 01:58:02 -59.242559 0.002754 LBFGSLineSearch: 8 01:58:02 -59.242561 0.004170 LBFGSLineSearch: 9 01:58:03 -59.242565 0.005415 LBFGSLineSearch: 10 01:58:03 -59.242575 0.003900 LBFGSLineSearch: 11 01:58:04 -59.242577 0.003794 LBFGSLineSearch: 12 01:58:04 -59.242580 0.004531 LBFGSLineSearch: 13 01:58:05 -59.242585 0.002219 LBFGSLineSearch: 14 01:58:05 -59.242590 0.001532 LBFGSLineSearch: 15 01:58:06 -59.242592 0.001423 LBFGSLineSearch: 16 01:58:06 -59.242592 0.001582 LBFGSLineSearch: 17 01:58:06 -59.242594 0.000889 LBFGSLineSearch: 18 01:58:06 -59.242594 0.000928 LBFGSLineSearch: 19 01:58:07 -59.242594 0.001116 LBFGSLineSearch: 20 01:58:07 -59.242595 0.000986 LBFGSLineSearch: 21 01:58:07 -59.242596 0.000743 LBFGSLineSearch: 22 01:58:07 -59.242596 0.000576 LBFGSLineSearch: 23 01:58:08 -59.242596 0.000460 LBFGSLineSearch: 24 01:58:08 -59.242596 0.000515 LBFGSLineSearch: 25 01:58:08 -59.242596 0.000315 LBFGSLineSearch: 26 01:58:08 -59.242596 0.000146 LBFGSLineSearch: 27 01:58:08 -59.242596 0.000145 LBFGSLineSearch: 28 01:58:08 -59.242596 0.000001 Minimization converged after 28 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:16 -59.603833 0.036123 LBFGSLineSearch: 1 01:58:16 -59.604605 0.017435 LBFGSLineSearch: 2 01:58:16 -59.604742 0.021744 LBFGSLineSearch: 3 01:58:16 -59.604835 0.017109 LBFGSLineSearch: 4 01:58:17 -59.604907 0.007453 LBFGSLineSearch: 5 01:58:17 -59.604930 0.004183 LBFGSLineSearch: 6 01:58:17 -59.604935 0.003764 LBFGSLineSearch: 7 01:58:17 -59.604941 0.005184 LBFGSLineSearch: 8 01:58:18 -59.604944 0.004149 LBFGSLineSearch: 9 01:58:18 -59.604956 0.003523 LBFGSLineSearch: 10 01:58:19 -59.604960 0.004443 LBFGSLineSearch: 11 01:58:19 -59.604964 0.004595 LBFGSLineSearch: 12 01:58:20 -59.604972 0.002557 LBFGSLineSearch: 13 01:58:20 -59.604980 0.001878 LBFGSLineSearch: 14 01:58:20 -59.604982 0.001695 LBFGSLineSearch: 15 01:58:21 -59.604983 0.002180 LBFGSLineSearch: 16 01:58:22 -59.604985 0.001428 LBFGSLineSearch: 17 01:58:22 -59.604987 0.001213 LBFGSLineSearch: 18 01:58:22 -59.604987 0.001642 LBFGSLineSearch: 19 01:58:25 -59.604988 0.001578 LBFGSLineSearch: 20 01:58:26 -59.604989 0.000606 LBFGSLineSearch: 21 01:58:27 -59.604989 0.000820 LBFGSLineSearch: 22 01:58:28 -59.604989 0.000732 LBFGSLineSearch: 23 01:58:29 -59.604990 0.000749 LBFGSLineSearch: 24 01:58:30 -59.604990 0.000358 LBFGSLineSearch: 25 01:58:31 -59.604990 0.000244 LBFGSLineSearch: 26 01:58:32 -59.604990 0.000210 LBFGSLineSearch: 27 01:58:32 -59.604990 0.000009 Minimization converged after 27 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:39 -59.968566 0.036366 LBFGSLineSearch: 1 01:58:40 -59.969358 0.017708 LBFGSLineSearch: 2 01:58:40 -59.969511 0.022722 LBFGSLineSearch: 3 01:58:40 -59.969614 0.018143 LBFGSLineSearch: 4 01:58:41 -59.969696 0.007791 LBFGSLineSearch: 5 01:58:41 -59.969723 0.004563 LBFGSLineSearch: 6 01:58:41 -59.969730 0.004317 LBFGSLineSearch: 7 01:58:42 -59.969737 0.005856 LBFGSLineSearch: 8 01:58:42 -59.969741 0.004667 LBFGSLineSearch: 9 01:58:42 -59.969756 0.003735 LBFGSLineSearch: 10 01:58:43 -59.969761 0.004976 LBFGSLineSearch: 11 01:58:43 -59.969767 0.005269 LBFGSLineSearch: 12 01:58:44 -59.969778 0.002924 LBFGSLineSearch: 13 01:58:44 -59.969791 0.002226 LBFGSLineSearch: 14 01:58:44 -59.969792 0.002119 LBFGSLineSearch: 15 01:58:45 -59.969793 0.002355 LBFGSLineSearch: 16 01:58:45 -59.969797 0.001552 LBFGSLineSearch: 17 01:58:45 -59.969797 0.001946 LBFGSLineSearch: 18 01:58:46 -59.969798 0.002443 LBFGSLineSearch: 19 01:58:46 -59.969801 0.002039 LBFGSLineSearch: 20 01:58:46 -59.969803 0.001785 LBFGSLineSearch: 21 01:58:46 -59.969804 0.000873 LBFGSLineSearch: 22 01:58:47 -59.969804 0.000898 LBFGSLineSearch: 23 01:58:47 -59.969804 0.001058 LBFGSLineSearch: 24 01:58:47 -59.969805 0.000842 LBFGSLineSearch: 25 01:58:47 -59.969805 0.000282 LBFGSLineSearch: 26 01:58:48 -59.969805 0.000316 LBFGSLineSearch: 27 01:58:48 -59.969805 0.000023 LBFGSLineSearch: 28 01:58:48 -59.969805 0.000021 LBFGSLineSearch: 29 01:58:49 -59.969805 0.000007 Minimization converged after 29 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:58 -60.335890 0.036615 LBFGSLineSearch: 1 01:59:00 -60.336703 0.018016 LBFGSLineSearch: 2 01:59:00 -60.336875 0.023820 LBFGSLineSearch: 3 01:59:00 -60.336991 0.019320 LBFGSLineSearch: 4 01:59:01 -60.337085 0.008127 LBFGSLineSearch: 5 01:59:01 -60.337118 0.005039 LBFGSLineSearch: 6 01:59:02 -60.337124 0.005034 LBFGSLineSearch: 7 01:59:02 -60.337135 0.006620 LBFGSLineSearch: 8 01:59:02 -60.337140 0.005009 LBFGSLineSearch: 9 01:59:03 -60.337161 0.004560 LBFGSLineSearch: 10 01:59:03 -60.337166 0.005525 LBFGSLineSearch: 11 01:59:04 -60.337173 0.006081 LBFGSLineSearch: 12 01:59:05 -60.337189 0.003312 LBFGSLineSearch: 13 01:59:06 -60.337206 0.002732 LBFGSLineSearch: 14 01:59:06 -60.337208 0.002544 LBFGSLineSearch: 15 01:59:06 -60.337209 0.002633 LBFGSLineSearch: 16 01:59:07 -60.337214 0.001888 LBFGSLineSearch: 17 01:59:07 -60.337216 0.002311 LBFGSLineSearch: 18 01:59:08 -60.337217 0.003154 LBFGSLineSearch: 19 01:59:08 -60.337221 0.002188 LBFGSLineSearch: 20 01:59:09 -60.337225 0.000815 LBFGSLineSearch: 21 01:59:10 -60.337226 0.000825 LBFGSLineSearch: 22 01:59:11 -60.337226 0.000752 LBFGSLineSearch: 23 01:59:12 -60.337227 0.000789 LBFGSLineSearch: 24 01:59:13 -60.337227 0.000831 LBFGSLineSearch: 25 01:59:14 -60.337227 0.000854 LBFGSLineSearch: 26 01:59:14 -60.337227 0.000330 LBFGSLineSearch: 27 01:59:14 -60.337227 0.000098 LBFGSLineSearch: 28 01:59:14 -60.337227 0.000042 LBFGSLineSearch: 29 01:59:15 -60.337227 0.000035 LBFGSLineSearch: 30 01:59:15 -60.337227 0.000021 LBFGSLineSearch: 31 01:59:15 -60.337227 0.000000 Minimization converged after 31 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:20 -60.706022 0.036879 LBFGSLineSearch: 1 01:59:20 -60.706856 0.018383 LBFGSLineSearch: 2 01:59:21 -60.707051 0.025072 LBFGSLineSearch: 3 01:59:21 -60.707182 0.020682 LBFGSLineSearch: 4 01:59:21 -60.707292 0.008450 LBFGSLineSearch: 5 01:59:21 -60.707330 0.005622 LBFGSLineSearch: 6 01:59:21 -60.707337 0.005901 LBFGSLineSearch: 7 01:59:21 -60.707353 0.006890 LBFGSLineSearch: 8 01:59:22 -60.707383 0.005348 LBFGSLineSearch: 9 01:59:22 -60.707390 0.006946 LBFGSLineSearch: 10 01:59:22 -60.707414 0.003514 LBFGSLineSearch: 11 01:59:24 -60.707420 0.003653 LBFGSLineSearch: 12 01:59:26 -60.707425 0.004269 LBFGSLineSearch: 13 01:59:27 -60.707441 0.002844 LBFGSLineSearch: 14 01:59:28 -60.707448 0.002207 LBFGSLineSearch: 15 01:59:29 -60.707449 0.002389 LBFGSLineSearch: 16 01:59:30 -60.707451 0.003471 LBFGSLineSearch: 17 01:59:30 -60.707457 0.001635 LBFGSLineSearch: 18 01:59:30 -60.707458 0.001959 LBFGSLineSearch: 19 01:59:30 -60.707459 0.002401 LBFGSLineSearch: 20 01:59:31 -60.707463 0.001079 LBFGSLineSearch: 21 01:59:31 -60.707464 0.000794 LBFGSLineSearch: 22 01:59:31 -60.707465 0.000582 LBFGSLineSearch: 23 01:59:31 -60.707465 0.000686 LBFGSLineSearch: 24 01:59:32 -60.707465 0.000258 LBFGSLineSearch: 25 01:59:34 -60.707465 0.000275 LBFGSLineSearch: 26 01:59:34 -60.707465 0.000138 LBFGSLineSearch: 27 01:59:35 -60.707465 0.000049 LBFGSLineSearch: 28 01:59:36 -60.707465 0.000059 LBFGSLineSearch: 29 01:59:37 -60.707465 0.000062 LBFGSLineSearch: 30 01:59:37 -60.707465 0.000059 LBFGSLineSearch: 31 01:59:38 -60.707465 0.000000 Minimization converged after 31 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:43 -61.079182 0.037172 LBFGSLineSearch: 1 01:59:44 -61.080041 0.018770 LBFGSLineSearch: 2 01:59:44 -61.080262 0.026452 LBFGSLineSearch: 3 01:59:44 -61.080410 0.022262 LBFGSLineSearch: 4 01:59:44 -61.080540 0.008769 LBFGSLineSearch: 5 01:59:44 -61.080587 0.006329 LBFGSLineSearch: 6 01:59:45 -61.080594 0.006374 LBFGSLineSearch: 7 01:59:45 -61.080615 0.007432 LBFGSLineSearch: 8 01:59:45 -61.080650 0.005776 LBFGSLineSearch: 9 01:59:45 -61.080657 0.007131 LBFGSLineSearch: 10 01:59:46 -61.080687 0.003598 LBFGSLineSearch: 11 01:59:46 -61.080691 0.003673 LBFGSLineSearch: 12 01:59:46 -61.080695 0.004015 LBFGSLineSearch: 13 01:59:46 -61.080707 0.003762 LBFGSLineSearch: 14 01:59:46 -61.080711 0.002835 LBFGSLineSearch: 15 01:59:47 -61.080713 0.002690 LBFGSLineSearch: 16 01:59:47 -61.080715 0.003251 LBFGSLineSearch: 17 01:59:48 -61.080720 0.002535 LBFGSLineSearch: 18 01:59:48 -61.080727 0.001433 LBFGSLineSearch: 19 01:59:49 -61.080728 0.001805 LBFGSLineSearch: 20 01:59:49 -61.080729 0.002242 LBFGSLineSearch: 21 01:59:54 -61.080733 0.000874 LBFGSLineSearch: 22 01:59:56 -61.080733 0.000735 LBFGSLineSearch: 23 01:59:56 -61.080734 0.000406 LBFGSLineSearch: 24 01:59:56 -61.080734 0.000304 LBFGSLineSearch: 25 01:59:58 -61.080734 0.000277 LBFGSLineSearch: 26 01:59:59 -61.080734 0.000328 LBFGSLineSearch: 27 02:00:00 -61.080734 0.000248 LBFGSLineSearch: 28 02:00:00 -61.080734 0.000063 LBFGSLineSearch: 29 02:00:00 -61.080734 0.000061 LBFGSLineSearch: 30 02:00:00 -61.080734 0.000039 LBFGSLineSearch: 31 02:00:01 -61.080734 0.000000 Minimization converged after 31 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:06 -61.455591 0.037486 LBFGSLineSearch: 1 02:00:07 -61.456476 0.019168 LBFGSLineSearch: 2 02:00:07 -61.456727 0.027966 LBFGSLineSearch: 3 02:00:07 -61.456897 0.024127 LBFGSLineSearch: 4 02:00:08 -61.457053 0.009126 LBFGSLineSearch: 5 02:00:08 -61.457109 0.007198 LBFGSLineSearch: 6 02:00:09 -61.457117 0.006682 LBFGSLineSearch: 7 02:00:09 -61.457142 0.005275 LBFGSLineSearch: 8 02:00:10 -61.457147 0.007136 LBFGSLineSearch: 9 02:00:14 -61.457157 0.008743 LBFGSLineSearch: 10 02:00:16 -61.457189 0.005704 LBFGSLineSearch: 11 02:00:16 -61.457196 0.008750 LBFGSLineSearch: 12 02:00:16 -61.457222 0.003412 LBFGSLineSearch: 13 02:00:17 -61.457227 0.003337 LBFGSLineSearch: 14 02:00:17 -61.457231 0.003720 LBFGSLineSearch: 15 02:00:17 -61.457242 0.002472 LBFGSLineSearch: 16 02:00:18 -61.457247 0.002372 LBFGSLineSearch: 17 02:00:18 -61.457248 0.002709 LBFGSLineSearch: 18 02:00:18 -61.457255 0.001833 LBFGSLineSearch: 19 02:00:20 -61.457256 0.001681 LBFGSLineSearch: 20 02:00:25 -61.457259 0.000643 LBFGSLineSearch: 21 02:00:27 -61.457259 0.000614 LBFGSLineSearch: 22 02:00:31 -61.457259 0.000297 LBFGSLineSearch: 23 02:00:34 -61.457259 0.000220 LBFGSLineSearch: 24 02:00:35 -61.457259 0.000123 LBFGSLineSearch: 25 02:00:36 -61.457259 0.000087 LBFGSLineSearch: 26 02:00:36 -61.457259 0.000060 LBFGSLineSearch: 27 02:00:36 -61.457259 0.000055 LBFGSLineSearch: 28 02:00:36 -61.457259 0.000045 LBFGSLineSearch: 29 02:00:37 -61.457260 0.000024 LBFGSLineSearch: 30 02:00:37 -61.457260 0.000001 Minimization converged after 30 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:44 -61.835497 0.037824 LBFGSLineSearch: 1 02:00:44 -61.836410 0.019572 LBFGSLineSearch: 2 02:00:44 -61.836698 0.029643 LBFGSLineSearch: 3 02:00:44 -61.836895 0.026391 LBFGSLineSearch: 4 02:00:45 -61.837087 0.009575 LBFGSLineSearch: 5 02:00:45 -61.837156 0.008350 LBFGSLineSearch: 6 02:00:46 -61.837163 0.006913 LBFGSLineSearch: 7 02:00:46 -61.837191 0.004875 LBFGSLineSearch: 8 02:00:46 -61.837201 0.007145 LBFGSLineSearch: 9 02:00:46 -61.837211 0.008599 LBFGSLineSearch: 10 02:00:47 -61.837246 0.005817 LBFGSLineSearch: 11 02:00:47 -61.837276 0.006250 LBFGSLineSearch: 12 02:00:48 -61.837283 0.003102 LBFGSLineSearch: 13 02:00:49 -61.837284 0.003104 LBFGSLineSearch: 14 02:00:49 -61.837295 0.002288 LBFGSLineSearch: 15 02:00:49 -61.837299 0.002000 LBFGSLineSearch: 16 02:00:50 -61.837300 0.002341 LBFGSLineSearch: 17 02:00:50 -61.837307 0.001138 LBFGSLineSearch: 18 02:00:50 -61.837307 0.001366 LBFGSLineSearch: 19 02:00:50 -61.837307 0.001427 LBFGSLineSearch: 20 02:00:51 -61.837309 0.000807 LBFGSLineSearch: 21 02:00:51 -61.837309 0.000868 LBFGSLineSearch: 22 02:00:51 -61.837309 0.000715 LBFGSLineSearch: 23 02:00:52 -61.837310 0.000230 LBFGSLineSearch: 24 02:00:52 -61.837310 0.000096 LBFGSLineSearch: 25 02:00:52 -61.837310 0.000089 LBFGSLineSearch: 26 02:00:52 -61.837310 0.000085 LBFGSLineSearch: 27 02:00:52 -61.837310 0.000035 LBFGSLineSearch: 28 02:00:52 -61.837310 0.000031 LBFGSLineSearch: 29 02:00:52 -61.837310 0.000001 Minimization converged after 29 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:58 -62.219229 0.038193 LBFGSLineSearch: 1 02:00:59 -62.220173 0.019989 LBFGSLineSearch: 2 02:00:59 -62.220505 0.031537 LBFGSLineSearch: 3 02:00:59 -62.220737 0.029232 LBFGSLineSearch: 4 02:00:59 -62.220979 0.010183 LBFGSLineSearch: 5 02:00:59 -62.221068 0.009987 LBFGSLineSearch: 6 02:01:00 -62.221077 0.007232 LBFGSLineSearch: 7 02:01:00 -62.221119 0.007740 LBFGSLineSearch: 8 02:01:00 -62.221142 0.005584 LBFGSLineSearch: 9 02:01:00 -62.221168 0.006137 LBFGSLineSearch: 10 02:01:00 -62.221211 0.003163 LBFGSLineSearch: 11 02:01:01 -62.221212 0.002949 LBFGSLineSearch: 12 02:01:01 -62.221221 0.002175 LBFGSLineSearch: 13 02:01:01 -62.221225 0.001715 LBFGSLineSearch: 14 02:01:02 -62.221226 0.001671 LBFGSLineSearch: 15 02:01:03 -62.221226 0.002024 LBFGSLineSearch: 16 02:01:03 -62.221232 0.001348 LBFGSLineSearch: 17 02:01:03 -62.221233 0.001118 LBFGSLineSearch: 18 02:01:03 -62.221233 0.000877 LBFGSLineSearch: 19 02:01:04 -62.221234 0.000933 LBFGSLineSearch: 20 02:01:04 -62.221234 0.000836 LBFGSLineSearch: 21 02:01:05 -62.221234 0.000215 LBFGSLineSearch: 22 02:01:06 -62.221234 0.000085 LBFGSLineSearch: 23 02:01:06 -62.221234 0.000077 LBFGSLineSearch: 24 02:01:07 -62.221234 0.000074 LBFGSLineSearch: 25 02:01:07 -62.221234 0.000066 LBFGSLineSearch: 26 02:01:08 -62.221234 0.000014 LBFGSLineSearch: 27 02:01:08 -62.221234 0.000005 Minimization converged after 27 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:16 -62.607244 0.038605 LBFGSLineSearch: 1 02:01:16 -62.608492 0.038024 LBFGSLineSearch: 2 02:01:16 -62.609180 0.012460 LBFGSLineSearch: 3 02:01:16 -62.609265 0.017461 LBFGSLineSearch: 4 02:01:16 -62.609327 0.009360 LBFGSLineSearch: 5 02:01:16 -62.609382 0.007677 LBFGSLineSearch: 6 02:01:16 -62.609392 0.007443 LBFGSLineSearch: 7 02:01:16 -62.609402 0.008723 LBFGSLineSearch: 8 02:01:16 -62.609438 0.005044 LBFGSLineSearch: 9 02:01:16 -62.609449 0.006131 LBFGSLineSearch: 10 02:01:17 -62.609462 0.010249 LBFGSLineSearch: 11 02:01:17 -62.609496 0.002789 LBFGSLineSearch: 12 02:01:17 -62.609500 0.001676 LBFGSLineSearch: 13 02:01:17 -62.609502 0.001541 LBFGSLineSearch: 14 02:01:17 -62.609502 0.001519 LBFGSLineSearch: 15 02:01:18 -62.609504 0.001128 LBFGSLineSearch: 16 02:01:18 -62.609505 0.000991 LBFGSLineSearch: 17 02:01:18 -62.609505 0.001359 LBFGSLineSearch: 18 02:01:18 -62.609507 0.000897 LBFGSLineSearch: 19 02:01:18 -62.609507 0.001014 LBFGSLineSearch: 20 02:01:19 -62.609507 0.000354 LBFGSLineSearch: 21 02:01:19 -62.609507 0.000383 LBFGSLineSearch: 22 02:01:19 -62.609507 0.000408 LBFGSLineSearch: 23 02:01:20 -62.609507 0.000129 LBFGSLineSearch: 24 02:01:20 -62.609507 0.000115 LBFGSLineSearch: 25 02:01:20 -62.609507 0.000047 LBFGSLineSearch: 26 02:01:20 -62.609507 0.000029 LBFGSLineSearch: 27 02:01:21 -62.609507 0.000029 LBFGSLineSearch: 28 02:01:21 -62.609507 0.000019 LBFGSLineSearch: 29 02:01:22 -62.609507 0.000014 LBFGSLineSearch: 30 02:01:22 -62.609507 0.000004 Minimization converged after 30 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:30 -63.000144 0.039067 LBFGSLineSearch: 1 02:01:30 -63.001482 0.040691 LBFGSLineSearch: 2 02:01:31 -63.002350 0.014155 LBFGSLineSearch: 3 02:01:31 -63.002465 0.020874 LBFGSLineSearch: 4 02:01:32 -63.002566 0.011564 LBFGSLineSearch: 5 02:01:33 -63.002648 0.008082 LBFGSLineSearch: 6 02:01:34 -63.002664 0.007940 LBFGSLineSearch: 7 02:01:34 -63.002675 0.009777 LBFGSLineSearch: 8 02:01:35 -63.002716 0.006042 LBFGSLineSearch: 9 02:01:35 -63.002728 0.006250 LBFGSLineSearch: 10 02:01:36 -63.002742 0.008076 LBFGSLineSearch: 11 02:01:37 -63.002786 0.002884 LBFGSLineSearch: 12 02:01:38 -63.002788 0.002635 LBFGSLineSearch: 13 02:01:39 -63.002793 0.001871 LBFGSLineSearch: 14 02:01:39 -63.002796 0.001108 LBFGSLineSearch: 15 02:01:39 -63.002796 0.000664 LBFGSLineSearch: 16 02:01:40 -63.002796 0.000647 LBFGSLineSearch: 17 02:01:41 -63.002796 0.000474 LBFGSLineSearch: 18 02:01:42 -63.002797 0.000230 LBFGSLineSearch: 19 02:01:42 -63.002797 0.000207 LBFGSLineSearch: 20 02:01:43 -63.002797 0.000194 LBFGSLineSearch: 21 02:01:43 -63.002797 0.000110 LBFGSLineSearch: 22 02:01:44 -63.002797 0.000041 LBFGSLineSearch: 23 02:01:44 -63.002797 0.000029 LBFGSLineSearch: 24 02:01:44 -63.002797 0.000042 LBFGSLineSearch: 25 02:01:45 -63.002797 0.000007 Minimization converged after 25 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:51 -63.398952 0.039618 LBFGSLineSearch: 1 02:01:57 -63.400406 0.044325 LBFGSLineSearch: 2 02:02:02 -63.401577 0.020497 LBFGSLineSearch: 3 02:02:08 -63.401778 0.027422 LBFGSLineSearch: 4 02:02:12 -63.401992 0.022815 LBFGSLineSearch: 5 02:02:18 -63.402196 0.014484 LBFGSLineSearch: 6 02:02:21 -63.402257 0.011747 LBFGSLineSearch: 7 02:02:25 -63.402278 0.011453 LBFGSLineSearch: 8 02:02:30 -63.402314 0.015466 LBFGSLineSearch: 9 02:02:36 -63.402401 0.008367 LBFGSLineSearch: 10 02:02:43 -63.402427 0.008736 LBFGSLineSearch: 11 02:02:48 -63.402489 0.007300 LBFGSLineSearch: 12 02:02:48 -63.402526 0.004783 LBFGSLineSearch: 13 02:02:48 -63.402544 0.003415 LBFGSLineSearch: 14 02:02:49 -63.402546 0.003195 LBFGSLineSearch: 15 02:02:49 -63.402548 0.003916 LBFGSLineSearch: 16 02:02:49 -63.402556 0.001567 LBFGSLineSearch: 17 02:02:49 -63.402557 0.001139 LBFGSLineSearch: 18 02:02:50 -63.402557 0.000685 LBFGSLineSearch: 19 02:02:50 -63.402558 0.000408 LBFGSLineSearch: 20 02:02:50 -63.402558 0.000479 LBFGSLineSearch: 21 02:02:51 -63.402558 0.000661 LBFGSLineSearch: 22 02:02:51 -63.402558 0.000241 LBFGSLineSearch: 23 02:02:51 -63.402558 0.000224 LBFGSLineSearch: 24 02:02:51 -63.402558 0.000231 LBFGSLineSearch: 25 02:02:52 -63.402558 0.000144 LBFGSLineSearch: 26 02:02:52 -63.402558 0.000123 LBFGSLineSearch: 27 02:02:52 -63.402558 0.000150 LBFGSLineSearch: 28 02:02:52 -63.402558 0.000050 LBFGSLineSearch: 29 02:02:53 -63.402558 0.000040 LBFGSLineSearch: 30 02:02:53 -63.402558 0.000047 LBFGSLineSearch: 31 02:02:53 -63.402558 0.000013 LBFGSLineSearch: 32 02:02:53 -63.402558 0.000005 Minimization converged after 32 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:02 -63.806659 0.040414 LBFGSLineSearch: 1 02:03:07 -63.808290 0.051146 LBFGSLineSearch: 2 02:03:11 -63.810235 0.039848 LBFGSLineSearch: 3 02:03:15 -63.810686 0.035408 LBFGSLineSearch: 4 02:03:18 -63.811726 0.078528 LBFGSLineSearch: 5 02:03:22 -63.812719 0.083323 LBFGSLineSearch: 6 02:03:28 -66.549324 2.553092 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 6 steps. Final forces: [[ 6.43492238e-01 -7.10413162e-19 -3.00914059e-02] [-6.43492238e-01 7.10413162e-19 3.00914059e-02] [ 1.98713518e-01 -5.40272091e-18 -1.83893988e-01] [-1.98713518e-01 5.40272091e-18 1.83893988e-01] [-1.10202384e+00 -1.35046712e-17 -4.44355601e-01] [ 1.10202384e+00 1.35046712e-17 4.44355601e-01] [-8.88858842e-01 6.51910498e-18 2.28107257e-01] [ 8.88858842e-01 -6.51910498e-18 -2.28107257e-01] [-9.97581394e-02 1.36737616e-17 4.61557748e-01] [ 9.97581394e-02 -1.36737616e-17 -4.61557748e-01]] Final stress: [1.21076885e-02 1.07647727e-01 5.41599370e-02 5.35086357e-18 1.55313366e-02 8.39211560e-18] Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:35 -67.137571 2.611823 LBFGSLineSearch: 1 02:03:37 -70.498139 2.508964 LBFGSLineSearch: 2 02:03:39 -74.085659 5.758463 Failed to get energy or crystal structure at pressure -24.0 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')