Model name? MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_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": 6.681259925584659, "source-unit": "angstrom", "si-unit": "m", "si-value": 6.68125992558466e-10 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "x1", "z1", "x2", "z2", "x3", "z3", "x4", "z4", "x5", "z5" ] }, "parameter-values": { "source-value": [ 0.40549209578883416, 0.8638052826280596, 101.0606068546641, 0.7179747678115138, 0.13423575089309048, 0.17973733153414506, 0.10546180385191573, 0.49554502020254865, 0.8293332810686724, 0.07491811480758348, 0.6832690455356079, 0.6804840007954462, 0.5052315820771325 ] }, "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_110119204723_002-1753137567-tr", "path": "tr/TE_196224119665_003-and-MO_110119204723_002-1753137567-tr", "type": "tr", "_id": "TE_196224119665_003-and-MO_110119204723_002-1753137567-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "short-id": "TE_196224119665_003", "kimid-prefix": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe", "kimid-typecode": "te", "kimid-number": "196224119665", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe", "type": "te", "kimnum": "196224119665", "version": 3, "shortcode": "TE_196224119665", "kimcode": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "path": "te/EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "approved": true, "_id": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "makeable": true, "runner": true, "driver": { "extended-id": "EquilibriumCrystalStructure__TD_457028483760_003", "short-id": "TD_457028483760_003", "kimid-prefix": "EquilibriumCrystalStructure", "kimid-typecode": "td", "kimid-number": "457028483760", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure", "type": "td", "kimnum": "457028483760", "version": 3, "shortcode": "TD_457028483760", "kimcode": "EquilibriumCrystalStructure__TD_457028483760_003", "path": "td/EquilibriumCrystalStructure__TD_457028483760_003", "approved": true, "_id": "EquilibriumCrystalStructure__TD_457028483760_003", "makeable": true, "driver": true, "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_mP10_11_e_4e v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_mP10_11_e_4e at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guess for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation is used:\na (angstrom): 6.9852, b/a: 0.4089933, c/a: 0.87735498, beta: 102.649, x1: 0.73977627, z1: 0.13501917, x2: 0.19064933, z2: 0.12620311, x3: 0.47972681, z3: 0.8350018, x4: 0.081032821, z4: 0.67902396, x5: 0.66972022, z5: 0.5039733, obtained from OpenKIM Reference Data item RD_329801609112_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-07-21 22:28:00.006475" }, "subject": { "extended-id": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "short-id": "MO_110119204723_002", "kimid-prefix": "MEAM_LAMMPS_KimJungLee_2009_FeTiC", "kimid-typecode": "mo", "kimid-number": "110119204723", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_KimJungLee_2009_FeTiC", "type": "mo", "kimnum": "110119204723", "version": 2, "shortcode": "MO_110119204723", "kimcode": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "path": "mo/MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "approved": true, "_id": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "makeable": true, "subject": true, "driver": { "extended-id": "MEAM_LAMMPS__MD_249792265679_002", "short-id": "MD_249792265679_002", "kimid-prefix": "MEAM_LAMMPS", "kimid-typecode": "md", "kimid-number": "249792265679", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS", "type": "md", "kimnum": "249792265679", "version": 2, "shortcode": "MD_249792265679", "kimcode": "MEAM_LAMMPS__MD_249792265679_002", "path": "md/MEAM_LAMMPS__MD_249792265679_002", "approved": true, "_id": "MEAM_LAMMPS__MD_249792265679_002", "makeable": true, "driver": true, "content-origin": "The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.)", "developer": [ "553f9aa4-98a2-477b-852f-a65cd9e1ace3", "05936d64-2312-402a-9873-5b6799e9f6db", "6ee0e203-4072-42b5-97a0-cf937edf5de8", "d5c826b2-1048-431c-bab6-0347f1c80c45", "98b95738-bd12-4464-9ed8-862e8be644e9", "f15f5ddf-8896-4f23-a4de-d96898caab64", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e", "57339548-c8c4-4b8b-a24b-6cecf2787096", "8ae4480b-2d4b-4f8c-b68d-6f8e2101d5a2", "d08eaec4-2289-4e6a-9fc7-c28d98c4156f", "cce68d90-29c8-48fa-a6fd-f806fa6d0f76", "a00983fc-9660-4769-82b0-5b90133a74be" ], "doi": "10.25950/ee5eba52", "domain": "openkim.org", "executables": [], "implementer": [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "a8c5e51f-f163-4842-b527-9ac69c3d33e2", "0f9bf091-9a1c-49e0-b107-a3bcc7d1dfa4", "27a42ac6-f00e-42a8-a1d3-54851ab2d08d", "d95e1403-9d6f-4dd4-ba80-1ccbf94dc75b", "44969c60-361d-4f11-87b8-6a5e35597d34", "741dc3be-59fb-4e5b-8653-c63be9d4ee5d", "e632a391-ea42-4bf6-8737-e71c296a067a" ], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "publication-year": "2023", "simulator-potential-compatibility": [ { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/spline" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/sw/spline" } ], "source-citations": [ { "author": "Baskes, M.I. and Nelson, J.S. and Wright, A.F.", "doi": "10.1103/PhysRevB.40.6085", "journal": "Phys. Rev. B", "pages": "6085--6100", "recordkey": "MD_249792265679_002a", "recordtype": "article", "title": "Semiempirical modified embedded-atom potentials for silicon and germanium", "volume": "40", "year": "1989" }, { "author": "Baskes, M.I.", "doi": "10.1103/PhysRevB.46.2727", "journal": "Phys. Rev. B", "pages": "2727--2742", "recordkey": "MD_249792265679_002b", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom potentials for cubic materials and impurities", "volume": "46", "year": "1992" }, { "author": "Lee, B.J. and Baskes, M.I.", "doi": "10.1103/PhysRevB.62.8564", "journal": "Phys. Rev. B", "pages": "8564--8567", "recordkey": "MD_249792265679_002c", "recordtype": "article", "title": "Second nearest-neighbor modified embedded-atom-method potential", "volume": "62", "year": "2000" }, { "author": "Lenosky, T.J. and Sadigh, B. and Alonso, E. and Bulatov, V.V. and de la Rubia, T.D. and Kim, J. and Voter, A.F. and Kress, J.D.", "doi": "10.1088/0965-0393/8/6/305", "journal": "Model. Simul. Mat. Sci. Eng", "pages": "825--841", "recordkey": "MD_249792265679_002d", "recordtype": "article", "title": "Highly optimized empirical potential model of silicon", "volume": "8", "year": "2000" } ], "title": "The modified embedded atom method (MEAM) potential v002", "created_on": "2024-10-01 20:38:58.516366" }, "content-origin": "http://cmse.postech.ac.kr/home_2nnmeam", "content-other-locations": "https://openkim.org/id/Sim_LAMMPS_MEAM_KimJungLee\n_2009_FeTiC__SM_531038274471_000 [openkim.org]", "contributor-id": "2bad9293-d404-4c54-b5d2-5318911b976b", "description": "Modified embedded-atom method (MEAM) interatomic potentials for the Fe\u2013Ti\u2013C ternary system has been developed based on the previously developed MEAM potentials for sub-unary and binary systems. The calculated coherent interface properties, interfacial energy, work of separation and misfit strain energy between body-centered cubic Fe and NaCl-type TiC is reasonable when compared with relevant first-principles calculations under the same condition.", "developer": [ "5a167265-87e3-44e4-870e-759fac0c70d7", "59cc80e4-a52a-48c1-90e0-292f4f6782fe", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/deddb298", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "2bad9293-d404-4c54-b5d2-5318911b976b", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Kim, Hyun-Kyu and Jung, Woo-Sang and Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2009.03.019", "journal": "Acta Materialia", "number": "11", "pages": "3140--3147", "publisher": "Elsevier", "recordkey": "MO_110119204723_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom method interatomic potentials for the {F}e--{T}i--{C} and {F}e--{T}i--{N} ternary systems", "volume": "57", "year": "2009" } ], "species": [ "Fe", "Ti", "C" ], "title": "MEAM Potential for the Fe-Ti-C system developed by Kim, Jung, Lee (2009) v002", "created_on": "2023-05-09 18:55:51.772141" }, "test": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "model": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "domain": "openkim.org", "test-result-id": "TE_196224119665_003-and-MO_110119204723_002-1753137567-tr", "created_on": "2025-07-21 23:20:26.373578", "dependencies": [] }, "created_on": "2025-07-21 23:20:26.373578", "inserted_on": "2025-07-21 23:26:22.528779", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.00024000681457385655 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:35 -47.527196 0.032027 LBFGSLineSearch: 1 17:01:36 -47.527502 0.018322 LBFGSLineSearch: 2 17:01:36 -47.527570 0.008789 LBFGSLineSearch: 3 17:01:36 -47.527582 0.002965 LBFGSLineSearch: 4 17:01:36 -47.527583 0.002235 LBFGSLineSearch: 5 17:01:36 -47.527584 0.001469 LBFGSLineSearch: 6 17:01:37 -47.527585 0.001240 LBFGSLineSearch: 7 17:01:37 -47.527586 0.001262 LBFGSLineSearch: 8 17:01:37 -47.527586 0.001163 LBFGSLineSearch: 9 17:01:37 -47.527586 0.000906 LBFGSLineSearch: 10 17:01:37 -47.527587 0.000879 LBFGSLineSearch: 11 17:01:38 -47.527587 0.000494 LBFGSLineSearch: 12 17:01:38 -47.527587 0.000317 LBFGSLineSearch: 13 17:01:38 -47.527587 0.000432 LBFGSLineSearch: 14 17:01:38 -47.527587 0.000255 LBFGSLineSearch: 15 17:01:38 -47.527587 0.000214 LBFGSLineSearch: 16 17:01:39 -47.527587 0.000175 LBFGSLineSearch: 17 17:01:39 -47.527587 0.000167 LBFGSLineSearch: 18 17:01:39 -47.527587 0.000075 LBFGSLineSearch: 19 17:01:40 -47.527587 0.000094 LBFGSLineSearch: 20 17:01:40 -47.527587 0.000077 LBFGSLineSearch: 21 17:01:40 -47.527587 0.000028 LBFGSLineSearch: 22 17:01:41 -47.527587 0.000014 LBFGSLineSearch: 23 17:01:41 -47.527587 0.000002 Minimization converged after 23 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:47 -47.488500 0.003910 LBFGSLineSearch: 1 17:01:47 -47.488504 0.002197 LBFGSLineSearch: 2 17:01:47 -47.488505 0.001046 LBFGSLineSearch: 3 17:01:48 -47.488506 0.000397 LBFGSLineSearch: 4 17:01:48 -47.488506 0.000222 LBFGSLineSearch: 5 17:01:48 -47.488506 0.000201 LBFGSLineSearch: 6 17:01:48 -47.488506 0.000197 LBFGSLineSearch: 7 17:01:48 -47.488506 0.000173 LBFGSLineSearch: 8 17:01:48 -47.488506 0.000099 LBFGSLineSearch: 9 17:01:48 -47.488506 0.000112 LBFGSLineSearch: 10 17:01:48 -47.488506 0.000091 LBFGSLineSearch: 11 17:01:48 -47.488506 0.000094 LBFGSLineSearch: 12 17:01:49 -47.488506 0.000045 LBFGSLineSearch: 13 17:01:49 -47.488506 0.000050 LBFGSLineSearch: 14 17:01:49 -47.488506 0.000025 LBFGSLineSearch: 15 17:01:49 -47.488506 0.000028 LBFGSLineSearch: 16 17:01:49 -47.488506 0.000019 LBFGSLineSearch: 17 17:01:50 -47.488506 0.000014 LBFGSLineSearch: 18 17:01:50 -47.488506 0.000007 Minimization converged after 18 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:55 -47.444645 0.004389 LBFGSLineSearch: 1 17:01:55 -47.444651 0.002462 LBFGSLineSearch: 2 17:01:56 -47.444652 0.001172 LBFGSLineSearch: 3 17:01:56 -47.444652 0.000388 LBFGSLineSearch: 4 17:01:56 -47.444652 0.000250 LBFGSLineSearch: 5 17:01:57 -47.444652 0.000208 LBFGSLineSearch: 6 17:01:58 -47.444652 0.000165 LBFGSLineSearch: 7 17:01:58 -47.444652 0.000236 LBFGSLineSearch: 8 17:01:58 -47.444652 0.000127 LBFGSLineSearch: 9 17:01:58 -47.444652 0.000092 LBFGSLineSearch: 10 17:01:58 -47.444652 0.000121 LBFGSLineSearch: 11 17:01:59 -47.444652 0.000135 LBFGSLineSearch: 12 17:01:59 -47.444652 0.000100 LBFGSLineSearch: 13 17:01:59 -47.444652 0.000066 LBFGSLineSearch: 14 17:02:00 -47.444652 0.000039 LBFGSLineSearch: 15 17:02:00 -47.444652 0.000059 LBFGSLineSearch: 16 17:02:00 -47.444652 0.000033 LBFGSLineSearch: 17 17:02:00 -47.444652 0.000027 LBFGSLineSearch: 18 17:02:01 -47.444652 0.000028 LBFGSLineSearch: 19 17:02:01 -47.444652 0.000047 LBFGSLineSearch: 20 17:02:01 -47.444652 0.000010 LBFGSLineSearch: 21 17:02:01 -47.444652 0.000010 LBFGSLineSearch: 22 17:02:02 -47.444652 0.000004 Minimization converged after 22 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:06 -47.395436 0.004922 LBFGSLineSearch: 1 17:02:06 -47.395444 0.002759 LBFGSLineSearch: 2 17:02:07 -47.395445 0.001310 LBFGSLineSearch: 3 17:02:08 -47.395445 0.000436 LBFGSLineSearch: 4 17:02:09 -47.395446 0.000282 LBFGSLineSearch: 5 17:02:10 -47.395446 0.000231 LBFGSLineSearch: 6 17:02:11 -47.395446 0.000338 LBFGSLineSearch: 7 17:02:12 -47.395446 0.000182 LBFGSLineSearch: 8 17:02:13 -47.395446 0.000177 LBFGSLineSearch: 9 17:02:14 -47.395446 0.000273 LBFGSLineSearch: 10 17:02:14 -47.395446 0.000139 LBFGSLineSearch: 11 17:02:14 -47.395446 0.000142 LBFGSLineSearch: 12 17:02:14 -47.395446 0.000070 LBFGSLineSearch: 13 17:02:14 -47.395446 0.000062 LBFGSLineSearch: 14 17:02:14 -47.395446 0.000061 LBFGSLineSearch: 15 17:02:14 -47.395446 0.000033 LBFGSLineSearch: 16 17:02:14 -47.395446 0.000031 LBFGSLineSearch: 17 17:02:14 -47.395446 0.000027 LBFGSLineSearch: 18 17:02:15 -47.395446 0.000013 LBFGSLineSearch: 19 17:02:15 -47.395446 0.000015 LBFGSLineSearch: 20 17:02:15 -47.395446 0.000005 Minimization converged after 20 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:20 -47.340223 0.005523 LBFGSLineSearch: 1 17:02:21 -47.340232 0.003092 LBFGSLineSearch: 2 17:02:21 -47.340234 0.001466 LBFGSLineSearch: 3 17:02:21 -47.340235 0.000489 LBFGSLineSearch: 4 17:02:21 -47.340235 0.000320 LBFGSLineSearch: 5 17:02:22 -47.340235 0.000265 LBFGSLineSearch: 6 17:02:22 -47.340235 0.000422 LBFGSLineSearch: 7 17:02:22 -47.340235 0.000207 LBFGSLineSearch: 8 17:02:23 -47.340235 0.000147 LBFGSLineSearch: 9 17:02:23 -47.340235 0.000110 LBFGSLineSearch: 10 17:02:23 -47.340235 0.000063 LBFGSLineSearch: 11 17:02:24 -47.340235 0.000057 LBFGSLineSearch: 12 17:02:24 -47.340235 0.000040 LBFGSLineSearch: 13 17:02:25 -47.340235 0.000029 LBFGSLineSearch: 14 17:02:25 -47.340235 0.000017 LBFGSLineSearch: 15 17:02:26 -47.340235 0.000021 LBFGSLineSearch: 16 17:02:26 -47.340235 0.000006 Minimization converged after 16 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:31 -47.278276 0.006194 LBFGSLineSearch: 1 17:02:31 -47.278287 0.003465 LBFGSLineSearch: 2 17:02:32 -47.278289 0.001639 LBFGSLineSearch: 3 17:02:34 -47.278290 0.000547 LBFGSLineSearch: 4 17:02:34 -47.278290 0.000364 LBFGSLineSearch: 5 17:02:35 -47.278290 0.000304 LBFGSLineSearch: 6 17:02:35 -47.278290 0.000459 LBFGSLineSearch: 7 17:02:37 -47.278290 0.000232 LBFGSLineSearch: 8 17:02:40 -47.278290 0.000165 LBFGSLineSearch: 9 17:02:41 -47.278290 0.000123 LBFGSLineSearch: 10 17:02:43 -47.278290 0.000066 LBFGSLineSearch: 11 17:02:45 -47.278290 0.000086 LBFGSLineSearch: 12 17:02:46 -47.278290 0.000054 LBFGSLineSearch: 13 17:02:48 -47.278290 0.000043 LBFGSLineSearch: 14 17:02:50 -47.278290 0.000030 LBFGSLineSearch: 15 17:02:52 -47.278290 0.000014 LBFGSLineSearch: 16 17:02:53 -47.278290 0.000026 LBFGSLineSearch: 17 17:02:55 -47.278290 0.000018 LBFGSLineSearch: 18 17:02:57 -47.278290 0.000006 Minimization converged after 18 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:04 -47.208775 0.006952 LBFGSLineSearch: 1 17:03:07 -47.208790 0.003879 LBFGSLineSearch: 2 17:03:09 -47.208793 0.001833 LBFGSLineSearch: 3 17:03:11 -47.208793 0.000615 LBFGSLineSearch: 4 17:03:13 -47.208793 0.000413 LBFGSLineSearch: 5 17:03:14 -47.208793 0.000348 LBFGSLineSearch: 6 17:03:15 -47.208793 0.000487 LBFGSLineSearch: 7 17:03:16 -47.208793 0.000259 LBFGSLineSearch: 8 17:03:17 -47.208793 0.000185 LBFGSLineSearch: 9 17:03:19 -47.208794 0.000139 LBFGSLineSearch: 10 17:03:21 -47.208794 0.000078 LBFGSLineSearch: 11 17:03:23 -47.208794 0.000100 LBFGSLineSearch: 12 17:03:25 -47.208794 0.000060 LBFGSLineSearch: 13 17:03:27 -47.208794 0.000051 LBFGSLineSearch: 14 17:03:29 -47.208794 0.000036 LBFGSLineSearch: 15 17:03:30 -47.208794 0.000054 LBFGSLineSearch: 16 17:03:30 -47.208794 0.000027 LBFGSLineSearch: 17 17:03:30 -47.208794 0.000022 LBFGSLineSearch: 18 17:03:31 -47.208794 0.000007 Minimization converged after 18 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:35 -47.130807 0.007800 LBFGSLineSearch: 1 17:03:38 -47.130825 0.004343 LBFGSLineSearch: 2 17:03:40 -47.130828 0.002048 LBFGSLineSearch: 3 17:03:42 -47.130829 0.000690 LBFGSLineSearch: 4 17:03:44 -47.130829 0.000470 LBFGSLineSearch: 5 17:03:46 -47.130829 0.000374 LBFGSLineSearch: 6 17:03:49 -47.130829 0.000300 LBFGSLineSearch: 7 17:03:51 -47.130829 0.000205 LBFGSLineSearch: 8 17:03:53 -47.130829 0.000198 LBFGSLineSearch: 9 17:03:55 -47.130829 0.000158 LBFGSLineSearch: 10 17:03:57 -47.130829 0.000086 LBFGSLineSearch: 11 17:03:59 -47.130829 0.000136 LBFGSLineSearch: 12 17:04:02 -47.130829 0.000074 LBFGSLineSearch: 13 17:04:04 -47.130829 0.000054 LBFGSLineSearch: 14 17:04:07 -47.130829 0.000038 LBFGSLineSearch: 15 17:04:09 -47.130829 0.000051 LBFGSLineSearch: 16 17:04:09 -47.130829 0.000027 LBFGSLineSearch: 17 17:04:10 -47.130829 0.000009 Minimization converged after 17 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:15 -47.043343 0.008747 LBFGSLineSearch: 1 17:04:18 -47.043366 0.004852 LBFGSLineSearch: 2 17:04:20 -47.043370 0.002284 LBFGSLineSearch: 3 17:04:22 -47.043371 0.000773 LBFGSLineSearch: 4 17:04:24 -47.043371 0.000536 LBFGSLineSearch: 5 17:04:27 -47.043371 0.000415 LBFGSLineSearch: 6 17:04:29 -47.043371 0.000339 LBFGSLineSearch: 7 17:04:31 -47.043371 0.000310 LBFGSLineSearch: 8 17:04:33 -47.043372 0.000240 LBFGSLineSearch: 9 17:04:35 -47.043372 0.000170 LBFGSLineSearch: 10 17:04:37 -47.043372 0.000090 LBFGSLineSearch: 11 17:04:37 -47.043372 0.000139 LBFGSLineSearch: 12 17:04:38 -47.043372 0.000080 LBFGSLineSearch: 13 17:04:39 -47.043372 0.000064 LBFGSLineSearch: 14 17:04:39 -47.043372 0.000054 LBFGSLineSearch: 15 17:04:40 -47.043372 0.000046 LBFGSLineSearch: 16 17:04:40 -47.043372 0.000029 LBFGSLineSearch: 17 17:04:41 -47.043372 0.000009 Minimization converged after 17 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:45 -46.945235 0.009815 LBFGSLineSearch: 1 17:04:46 -46.945264 0.005440 LBFGSLineSearch: 2 17:04:47 -46.945270 0.002553 LBFGSLineSearch: 3 17:04:47 -46.945271 0.000867 LBFGSLineSearch: 4 17:04:48 -46.945271 0.000610 LBFGSLineSearch: 5 17:04:49 -46.945271 0.000456 LBFGSLineSearch: 6 17:04:49 -46.945271 0.000383 LBFGSLineSearch: 7 17:04:50 -46.945271 0.000394 LBFGSLineSearch: 8 17:04:50 -46.945271 0.000261 LBFGSLineSearch: 9 17:04:51 -46.945271 0.000189 LBFGSLineSearch: 10 17:04:51 -46.945271 0.000103 LBFGSLineSearch: 11 17:04:52 -46.945271 0.000130 LBFGSLineSearch: 12 17:04:52 -46.945271 0.000074 LBFGSLineSearch: 13 17:04:53 -46.945271 0.000069 LBFGSLineSearch: 14 17:04:53 -46.945271 0.000066 LBFGSLineSearch: 15 17:04:54 -46.945271 0.000050 LBFGSLineSearch: 16 17:04:54 -46.945271 0.000032 LBFGSLineSearch: 17 17:04:55 -46.945271 0.000012 LBFGSLineSearch: 18 17:04:56 -46.945271 0.000010 Minimization converged after 18 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:00 -46.835197 0.011009 LBFGSLineSearch: 1 17:05:01 -46.835232 0.006085 LBFGSLineSearch: 2 17:05:01 -46.835240 0.002848 LBFGSLineSearch: 3 17:05:01 -46.835241 0.000972 LBFGSLineSearch: 4 17:05:02 -46.835241 0.000695 LBFGSLineSearch: 5 17:05:02 -46.835241 0.000502 LBFGSLineSearch: 6 17:05:02 -46.835242 0.000433 LBFGSLineSearch: 7 17:05:03 -46.835242 0.000408 LBFGSLineSearch: 8 17:05:03 -46.835242 0.000394 LBFGSLineSearch: 9 17:05:04 -46.835242 0.000302 LBFGSLineSearch: 10 17:05:04 -46.835242 0.000172 LBFGSLineSearch: 11 17:05:05 -46.835242 0.000114 LBFGSLineSearch: 12 17:05:05 -46.835242 0.000149 LBFGSLineSearch: 13 17:05:06 -46.835242 0.000081 LBFGSLineSearch: 14 17:05:06 -46.835242 0.000075 LBFGSLineSearch: 15 17:05:07 -46.835242 0.000062 LBFGSLineSearch: 16 17:05:07 -46.835242 0.000035 LBFGSLineSearch: 17 17:05:08 -46.835242 0.000032 LBFGSLineSearch: 18 17:05:08 -46.835242 0.000034 LBFGSLineSearch: 19 17:05:08 -46.835242 0.000018 LBFGSLineSearch: 20 17:05:09 -46.835242 0.000010 Minimization converged after 20 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:14 -46.711788 0.012347 LBFGSLineSearch: 1 17:05:15 -46.711833 0.006805 LBFGSLineSearch: 2 17:05:15 -46.711842 0.003174 LBFGSLineSearch: 3 17:05:16 -46.711844 0.001089 LBFGSLineSearch: 4 17:05:17 -46.711844 0.000791 LBFGSLineSearch: 5 17:05:17 -46.711844 0.000555 LBFGSLineSearch: 6 17:05:18 -46.711844 0.000487 LBFGSLineSearch: 7 17:05:18 -46.711844 0.000456 LBFGSLineSearch: 8 17:05:19 -46.711844 0.000456 LBFGSLineSearch: 9 17:05:21 -46.711844 0.000339 LBFGSLineSearch: 10 17:05:23 -46.711844 0.000192 LBFGSLineSearch: 11 17:05:25 -46.711844 0.000150 LBFGSLineSearch: 12 17:05:27 -46.711844 0.000113 LBFGSLineSearch: 13 17:05:29 -46.711844 0.000091 LBFGSLineSearch: 14 17:05:32 -46.711844 0.000080 LBFGSLineSearch: 15 17:05:33 -46.711844 0.000089 LBFGSLineSearch: 16 17:05:36 -46.711844 0.000060 LBFGSLineSearch: 17 17:05:37 -46.711844 0.000055 LBFGSLineSearch: 18 17:05:37 -46.711844 0.000033 LBFGSLineSearch: 19 17:05:38 -46.711844 0.000011 LBFGSLineSearch: 20 17:05:41 -46.711844 0.000001 Minimization converged after 20 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:46 -46.573398 0.013845 LBFGSLineSearch: 1 17:05:46 -46.573454 0.007608 LBFGSLineSearch: 2 17:05:46 -46.573465 0.003536 LBFGSLineSearch: 3 17:05:46 -46.573467 0.001220 LBFGSLineSearch: 4 17:05:47 -46.573467 0.000901 LBFGSLineSearch: 5 17:05:47 -46.573467 0.000625 LBFGSLineSearch: 6 17:05:47 -46.573468 0.000547 LBFGSLineSearch: 7 17:05:47 -46.573468 0.000510 LBFGSLineSearch: 8 17:05:47 -46.573468 0.000514 LBFGSLineSearch: 9 17:05:47 -46.573468 0.000380 LBFGSLineSearch: 10 17:05:48 -46.573468 0.000225 LBFGSLineSearch: 11 17:05:48 -46.573468 0.000221 LBFGSLineSearch: 12 17:05:48 -46.573468 0.000164 LBFGSLineSearch: 13 17:05:48 -46.573468 0.000164 LBFGSLineSearch: 14 17:05:48 -46.573468 0.000093 LBFGSLineSearch: 15 17:05:49 -46.573468 0.000093 LBFGSLineSearch: 16 17:05:49 -46.573468 0.000081 LBFGSLineSearch: 17 17:05:49 -46.573468 0.000083 LBFGSLineSearch: 18 17:05:50 -46.573468 0.000114 LBFGSLineSearch: 19 17:05:50 -46.573468 0.000033 LBFGSLineSearch: 20 17:05:51 -46.573468 0.000038 LBFGSLineSearch: 21 17:05:51 -46.573468 0.000011 LBFGSLineSearch: 22 17:05:52 -46.573468 0.000001 Minimization converged after 22 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:57 -46.418224 0.015525 LBFGSLineSearch: 1 17:06:00 -46.418294 0.008500 LBFGSLineSearch: 2 17:06:02 -46.418308 0.003935 LBFGSLineSearch: 3 17:06:05 -46.418311 0.001366 LBFGSLineSearch: 4 17:06:07 -46.418311 0.001023 LBFGSLineSearch: 5 17:06:09 -46.418311 0.000702 LBFGSLineSearch: 6 17:06:10 -46.418311 0.000613 LBFGSLineSearch: 7 17:06:10 -46.418312 0.000571 LBFGSLineSearch: 8 17:06:11 -46.418312 0.000579 LBFGSLineSearch: 9 17:06:11 -46.418312 0.000426 LBFGSLineSearch: 10 17:06:12 -46.418312 0.000265 LBFGSLineSearch: 11 17:06:13 -46.418312 0.000263 LBFGSLineSearch: 12 17:06:13 -46.418312 0.000154 LBFGSLineSearch: 13 17:06:14 -46.418312 0.000220 LBFGSLineSearch: 14 17:06:15 -46.418312 0.000106 LBFGSLineSearch: 15 17:06:17 -46.418312 0.000165 LBFGSLineSearch: 16 17:06:18 -46.418312 0.000075 LBFGSLineSearch: 17 17:06:20 -46.418312 0.000103 LBFGSLineSearch: 18 17:06:22 -46.418312 0.000152 LBFGSLineSearch: 19 17:06:24 -46.418312 0.000043 LBFGSLineSearch: 20 17:06:26 -46.418312 0.000034 LBFGSLineSearch: 21 17:06:29 -46.418312 0.000012 LBFGSLineSearch: 22 17:06:31 -46.418312 0.000001 Minimization converged after 22 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:37 -46.244253 0.017406 LBFGSLineSearch: 1 17:06:39 -46.244341 0.009491 LBFGSLineSearch: 2 17:06:41 -46.244359 0.004375 LBFGSLineSearch: 3 17:06:41 -46.244362 0.001530 LBFGSLineSearch: 4 17:06:42 -46.244362 0.001159 LBFGSLineSearch: 5 17:06:42 -46.244362 0.000785 LBFGSLineSearch: 6 17:06:43 -46.244362 0.000686 LBFGSLineSearch: 7 17:06:43 -46.244362 0.000638 LBFGSLineSearch: 8 17:06:44 -46.244362 0.000656 LBFGSLineSearch: 9 17:06:44 -46.244363 0.000478 LBFGSLineSearch: 10 17:06:45 -46.244363 0.000310 LBFGSLineSearch: 11 17:06:45 -46.244363 0.000240 LBFGSLineSearch: 12 17:06:45 -46.244363 0.000234 LBFGSLineSearch: 13 17:06:46 -46.244363 0.000178 LBFGSLineSearch: 14 17:06:46 -46.244363 0.000230 LBFGSLineSearch: 15 17:06:46 -46.244363 0.000113 LBFGSLineSearch: 16 17:06:47 -46.244363 0.000121 LBFGSLineSearch: 17 17:06:47 -46.244363 0.000126 LBFGSLineSearch: 18 17:06:48 -46.244363 0.000046 LBFGSLineSearch: 19 17:06:48 -46.244363 0.000015 LBFGSLineSearch: 20 17:06:49 -46.244363 0.000013 LBFGSLineSearch: 21 17:06:49 -46.244363 0.000001 Minimization converged after 21 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:54 -46.049234 0.019513 LBFGSLineSearch: 1 17:06:54 -46.049343 0.010592 LBFGSLineSearch: 2 17:06:54 -46.049366 0.004859 LBFGSLineSearch: 3 17:06:55 -46.049369 0.001714 LBFGSLineSearch: 4 17:06:55 -46.049370 0.001309 LBFGSLineSearch: 5 17:06:56 -46.049370 0.000874 LBFGSLineSearch: 6 17:06:56 -46.049370 0.000768 LBFGSLineSearch: 7 17:06:57 -46.049370 0.000712 LBFGSLineSearch: 8 17:06:59 -46.049370 0.000744 LBFGSLineSearch: 9 17:07:01 -46.049370 0.000536 LBFGSLineSearch: 10 17:07:02 -46.049371 0.000362 LBFGSLineSearch: 11 17:07:02 -46.049371 0.000270 LBFGSLineSearch: 12 17:07:03 -46.049371 0.000260 LBFGSLineSearch: 13 17:07:03 -46.049371 0.000192 LBFGSLineSearch: 14 17:07:03 -46.049371 0.000246 LBFGSLineSearch: 15 17:07:04 -46.049371 0.000145 LBFGSLineSearch: 16 17:07:04 -46.049371 0.000136 LBFGSLineSearch: 17 17:07:04 -46.049371 0.000149 LBFGSLineSearch: 18 17:07:04 -46.049371 0.000098 LBFGSLineSearch: 19 17:07:04 -46.049371 0.000178 LBFGSLineSearch: 20 17:07:05 -46.049371 0.000163 LBFGSLineSearch: 21 17:07:05 -46.049371 0.000041 LBFGSLineSearch: 22 17:07:05 -46.049371 0.000013 LBFGSLineSearch: 23 17:07:05 -46.049371 0.000003 Minimization converged after 23 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:10 -45.830652 0.021872 LBFGSLineSearch: 1 17:07:13 -45.830789 0.011816 LBFGSLineSearch: 2 17:07:15 -45.830817 0.005390 LBFGSLineSearch: 3 17:07:16 -45.830821 0.001918 LBFGSLineSearch: 4 17:07:16 -45.830821 0.001473 LBFGSLineSearch: 5 17:07:16 -45.830822 0.000970 LBFGSLineSearch: 6 17:07:17 -45.830822 0.000862 LBFGSLineSearch: 7 17:07:17 -45.830822 0.000795 LBFGSLineSearch: 8 17:07:17 -45.830822 0.000844 LBFGSLineSearch: 9 17:07:18 -45.830823 0.000601 LBFGSLineSearch: 10 17:07:18 -45.830823 0.000421 LBFGSLineSearch: 11 17:07:18 -45.830823 0.000304 LBFGSLineSearch: 12 17:07:18 -45.830823 0.000283 LBFGSLineSearch: 13 17:07:19 -45.830823 0.000213 LBFGSLineSearch: 14 17:07:20 -45.830823 0.000260 LBFGSLineSearch: 15 17:07:23 -45.830823 0.000215 LBFGSLineSearch: 16 17:07:25 -45.830823 0.000143 LBFGSLineSearch: 17 17:07:27 -45.830823 0.000143 LBFGSLineSearch: 18 17:07:29 -45.830823 0.000225 LBFGSLineSearch: 19 17:07:31 -45.830823 0.000194 LBFGSLineSearch: 20 17:07:33 -45.830823 0.000114 LBFGSLineSearch: 21 17:07:35 -45.830823 0.000046 LBFGSLineSearch: 22 17:07:38 -45.830823 0.000014 LBFGSLineSearch: 23 17:07:40 -45.830823 0.000001 Minimization converged after 23 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:46 -45.585702 0.024513 LBFGSLineSearch: 1 17:07:49 -45.585873 0.013164 LBFGSLineSearch: 2 17:07:51 -45.585906 0.005971 LBFGSLineSearch: 3 17:07:53 -45.585912 0.002147 LBFGSLineSearch: 4 17:07:56 -45.585912 0.001648 LBFGSLineSearch: 5 17:07:58 -45.585913 0.001074 LBFGSLineSearch: 6 17:08:01 -45.585913 0.000920 LBFGSLineSearch: 7 17:08:04 -45.585914 0.000678 LBFGSLineSearch: 8 17:08:05 -45.585914 0.000606 LBFGSLineSearch: 9 17:08:07 -45.585914 0.000438 LBFGSLineSearch: 10 17:08:10 -45.585914 0.000301 LBFGSLineSearch: 11 17:08:12 -45.585914 0.000199 LBFGSLineSearch: 12 17:08:12 -45.585914 0.000189 LBFGSLineSearch: 13 17:08:12 -45.585914 0.000166 LBFGSLineSearch: 14 17:08:13 -45.585914 0.000140 LBFGSLineSearch: 15 17:08:13 -45.585914 0.000069 LBFGSLineSearch: 16 17:08:13 -45.585914 0.000067 LBFGSLineSearch: 17 17:08:13 -45.585914 0.000043 LBFGSLineSearch: 18 17:08:14 -45.585914 0.000023 LBFGSLineSearch: 19 17:08:14 -45.585914 0.000017 LBFGSLineSearch: 20 17:08:15 -45.585914 0.000001 Minimization converged after 20 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:20 -45.311251 0.027467 LBFGSLineSearch: 1 17:08:20 -45.311464 0.014659 LBFGSLineSearch: 2 17:08:21 -45.311505 0.006607 LBFGSLineSearch: 3 17:08:21 -45.311512 0.002402 LBFGSLineSearch: 4 17:08:21 -45.311513 0.001835 LBFGSLineSearch: 5 17:08:21 -45.311513 0.001185 LBFGSLineSearch: 6 17:08:22 -45.311514 0.001028 LBFGSLineSearch: 7 17:08:22 -45.311514 0.000819 LBFGSLineSearch: 8 17:08:22 -45.311514 0.000694 LBFGSLineSearch: 9 17:08:23 -45.311514 0.000487 LBFGSLineSearch: 10 17:08:23 -45.311514 0.000342 LBFGSLineSearch: 11 17:08:23 -45.311515 0.000232 LBFGSLineSearch: 12 17:08:23 -45.311515 0.000207 LBFGSLineSearch: 13 17:08:24 -45.311515 0.000200 LBFGSLineSearch: 14 17:08:24 -45.311515 0.000185 LBFGSLineSearch: 15 17:08:24 -45.311515 0.000083 LBFGSLineSearch: 16 17:08:25 -45.311515 0.000073 LBFGSLineSearch: 17 17:08:25 -45.311515 0.000044 LBFGSLineSearch: 18 17:08:25 -45.311515 0.000024 LBFGSLineSearch: 19 17:08:25 -45.311515 0.000017 LBFGSLineSearch: 20 17:08:26 -45.311515 0.000001 Minimization converged after 20 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:30 -45.003807 0.030772 LBFGSLineSearch: 1 17:08:31 -45.004073 0.016310 LBFGSLineSearch: 2 17:08:31 -45.004124 0.007299 LBFGSLineSearch: 3 17:08:32 -45.004132 0.002633 LBFGSLineSearch: 4 17:08:32 -45.004132 0.002037 LBFGSLineSearch: 5 17:08:32 -45.004133 0.001303 LBFGSLineSearch: 6 17:08:33 -45.004134 0.001148 LBFGSLineSearch: 7 17:08:34 -45.004134 0.000931 LBFGSLineSearch: 8 17:08:34 -45.004134 0.000794 LBFGSLineSearch: 9 17:08:34 -45.004135 0.000533 LBFGSLineSearch: 10 17:08:34 -45.004135 0.000342 LBFGSLineSearch: 11 17:08:35 -45.004135 0.000509 LBFGSLineSearch: 12 17:08:35 -45.004135 0.000244 LBFGSLineSearch: 13 17:08:35 -45.004135 0.000194 LBFGSLineSearch: 14 17:08:35 -45.004135 0.000252 LBFGSLineSearch: 15 17:08:36 -45.004135 0.000085 LBFGSLineSearch: 16 17:08:36 -45.004135 0.000026 LBFGSLineSearch: 17 17:08:36 -45.004135 0.000020 LBFGSLineSearch: 18 17:08:36 -45.004135 0.000001 Minimization converged after 18 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:42 -44.659480 0.034466 LBFGSLineSearch: 1 17:08:45 -44.659811 0.018132 LBFGSLineSearch: 2 17:08:48 -44.659873 0.008050 LBFGSLineSearch: 3 17:08:50 -44.659883 0.002868 LBFGSLineSearch: 4 17:08:50 -44.659883 0.002254 LBFGSLineSearch: 5 17:08:50 -44.659884 0.001463 LBFGSLineSearch: 6 17:08:52 -44.659885 0.001282 LBFGSLineSearch: 7 17:08:54 -44.659886 0.001069 LBFGSLineSearch: 8 17:08:56 -44.659886 0.000895 LBFGSLineSearch: 9 17:08:58 -44.659886 0.000598 LBFGSLineSearch: 10 17:08:58 -44.659886 0.000584 LBFGSLineSearch: 11 17:08:58 -44.659887 0.000453 LBFGSLineSearch: 12 17:08:58 -44.659887 0.000287 LBFGSLineSearch: 13 17:08:58 -44.659887 0.000255 LBFGSLineSearch: 14 17:08:59 -44.659887 0.000246 LBFGSLineSearch: 15 17:08:59 -44.659887 0.000087 LBFGSLineSearch: 16 17:08:59 -44.659887 0.000034 LBFGSLineSearch: 17 17:09:00 -44.659887 0.000026 LBFGSLineSearch: 18 17:09:00 -44.659887 0.000002 Minimization converged after 18 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:06 -44.273936 0.038596 LBFGSLineSearch: 1 17:09:08 -44.274348 0.020136 LBFGSLineSearch: 2 17:09:11 -44.274423 0.008862 LBFGSLineSearch: 3 17:09:13 -44.274435 0.003112 LBFGSLineSearch: 4 17:09:15 -44.274436 0.002490 LBFGSLineSearch: 5 17:09:17 -44.274437 0.001645 LBFGSLineSearch: 6 17:09:20 -44.274438 0.001432 LBFGSLineSearch: 7 17:09:23 -44.274439 0.001225 LBFGSLineSearch: 8 17:09:25 -44.274439 0.001011 LBFGSLineSearch: 9 17:09:28 -44.274440 0.000680 LBFGSLineSearch: 10 17:09:29 -44.274440 0.000584 LBFGSLineSearch: 11 17:09:31 -44.274440 0.000499 LBFGSLineSearch: 12 17:09:34 -44.274440 0.000515 LBFGSLineSearch: 13 17:09:37 -44.274440 0.000315 LBFGSLineSearch: 14 17:09:38 -44.274440 0.000285 LBFGSLineSearch: 15 17:09:39 -44.274440 0.000386 LBFGSLineSearch: 16 17:09:41 -44.274440 0.000392 LBFGSLineSearch: 17 17:09:44 -44.274440 0.000077 LBFGSLineSearch: 18 17:09:45 -44.274440 0.000042 LBFGSLineSearch: 19 17:09:48 -44.274440 0.000021 LBFGSLineSearch: 20 17:09:50 -44.274440 0.000002 Minimization converged after 20 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:56 -43.842354 0.043209 LBFGSLineSearch: 1 17:09:58 -43.842867 0.022338 LBFGSLineSearch: 2 17:10:01 -43.842958 0.009739 LBFGSLineSearch: 3 17:10:03 -43.842972 0.003364 LBFGSLineSearch: 4 17:10:06 -43.842973 0.002745 LBFGSLineSearch: 5 17:10:08 -43.842974 0.001849 LBFGSLineSearch: 6 17:10:11 -43.842976 0.001601 LBFGSLineSearch: 7 17:10:14 -43.842977 0.001404 LBFGSLineSearch: 8 17:10:16 -43.842977 0.001131 LBFGSLineSearch: 9 17:10:19 -43.842977 0.001041 LBFGSLineSearch: 10 17:10:23 -43.842978 0.000691 LBFGSLineSearch: 11 17:10:25 -43.842978 0.000511 LBFGSLineSearch: 12 17:10:27 -43.842978 0.000685 LBFGSLineSearch: 13 17:10:31 -43.842978 0.000341 LBFGSLineSearch: 14 17:10:33 -43.842978 0.000346 LBFGSLineSearch: 15 17:10:36 -43.842978 0.000325 LBFGSLineSearch: 16 17:10:38 -43.842978 0.000648 LBFGSLineSearch: 17 17:10:40 -43.842978 0.000079 LBFGSLineSearch: 18 17:10:42 -43.842978 0.000042 LBFGSLineSearch: 19 17:10:45 -43.842978 0.000022 LBFGSLineSearch: 20 17:10:47 -43.842978 0.000002 Minimization converged after 20 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:52 -43.359374 0.048361 LBFGSLineSearch: 1 17:10:53 -43.360010 0.024755 LBFGSLineSearch: 2 17:10:53 -43.360120 0.010683 LBFGSLineSearch: 3 17:10:53 -43.360137 0.003622 LBFGSLineSearch: 4 17:10:54 -43.360139 0.003023 LBFGSLineSearch: 5 17:10:54 -43.360140 0.002076 LBFGSLineSearch: 6 17:10:54 -43.360142 0.001792 LBFGSLineSearch: 7 17:10:55 -43.360143 0.001603 LBFGSLineSearch: 8 17:10:55 -43.360144 0.001285 LBFGSLineSearch: 9 17:10:55 -43.360144 0.001195 LBFGSLineSearch: 10 17:10:56 -43.360144 0.000797 LBFGSLineSearch: 11 17:10:58 -43.360145 0.000586 LBFGSLineSearch: 12 17:10:58 -43.360145 0.000778 LBFGSLineSearch: 13 17:10:59 -43.360145 0.000384 LBFGSLineSearch: 14 17:10:59 -43.360145 0.000411 LBFGSLineSearch: 15 17:10:59 -43.360145 0.000381 LBFGSLineSearch: 16 17:10:59 -43.360145 0.000476 LBFGSLineSearch: 17 17:11:00 -43.360145 0.000709 LBFGSLineSearch: 18 17:11:01 -43.360145 0.000071 LBFGSLineSearch: 19 17:11:01 -43.360145 0.000049 LBFGSLineSearch: 20 17:11:02 -43.360145 0.000021 LBFGSLineSearch: 21 17:11:02 -43.360145 0.000001 Minimization converged after 21 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:08 -42.819042 0.054111 LBFGSLineSearch: 1 17:11:10 -42.819830 0.027399 LBFGSLineSearch: 2 17:11:12 -42.819962 0.011692 LBFGSLineSearch: 3 17:11:15 -42.819982 0.003883 LBFGSLineSearch: 4 17:11:17 -42.819984 0.003329 LBFGSLineSearch: 5 17:11:21 -42.819985 0.002333 LBFGSLineSearch: 6 17:11:25 -42.819988 0.002012 LBFGSLineSearch: 7 17:11:28 -42.819990 0.001821 LBFGSLineSearch: 8 17:11:30 -42.819990 0.001464 LBFGSLineSearch: 9 17:11:33 -42.819991 0.001362 LBFGSLineSearch: 10 17:11:36 -42.819991 0.000922 LBFGSLineSearch: 11 17:11:38 -42.819991 0.000671 LBFGSLineSearch: 12 17:11:41 -42.819991 0.000885 LBFGSLineSearch: 13 17:11:44 -42.819992 0.000428 LBFGSLineSearch: 14 17:11:47 -42.819992 0.000554 LBFGSLineSearch: 15 17:11:50 -42.819992 0.000460 LBFGSLineSearch: 16 17:11:52 -42.819992 0.000580 LBFGSLineSearch: 17 17:11:56 -42.819992 0.000785 LBFGSLineSearch: 18 17:11:59 -42.819992 0.000068 LBFGSLineSearch: 19 17:12:03 -42.819992 0.000023 LBFGSLineSearch: 20 17:12:05 -42.819992 0.000009 Minimization converged after 20 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:12 -42.214749 0.060527 LBFGSLineSearch: 1 17:12:14 -42.215723 0.030282 LBFGSLineSearch: 2 17:12:15 -42.215882 0.012769 LBFGSLineSearch: 3 17:12:16 -42.215906 0.004142 LBFGSLineSearch: 4 17:12:17 -42.215908 0.003669 LBFGSLineSearch: 5 17:12:18 -42.215910 0.002620 LBFGSLineSearch: 6 17:12:19 -42.215913 0.002324 LBFGSLineSearch: 7 17:12:21 -42.215915 0.002050 LBFGSLineSearch: 8 17:12:23 -42.215915 0.001675 LBFGSLineSearch: 9 17:12:25 -42.215916 0.001548 LBFGSLineSearch: 10 17:12:27 -42.215917 0.001067 LBFGSLineSearch: 11 17:12:28 -42.215917 0.000768 LBFGSLineSearch: 12 17:12:28 -42.215917 0.001006 LBFGSLineSearch: 13 17:12:29 -42.215917 0.000476 LBFGSLineSearch: 14 17:12:29 -42.215917 0.000765 LBFGSLineSearch: 15 17:12:30 -42.215917 0.000617 LBFGSLineSearch: 16 17:12:31 -42.215918 0.000959 LBFGSLineSearch: 17 17:12:31 -42.215918 0.000068 LBFGSLineSearch: 18 17:12:32 -42.215918 0.000022 LBFGSLineSearch: 19 17:12:33 -42.215918 0.000012 LBFGSLineSearch: 20 17:12:35 -42.215918 0.000001 Minimization converged after 20 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:40 -41.539168 0.067675 LBFGSLineSearch: 1 17:12:42 -41.540370 0.033429 LBFGSLineSearch: 2 17:12:46 -41.540560 0.013910 LBFGSLineSearch: 3 17:12:48 -41.540588 0.004406 LBFGSLineSearch: 4 17:12:49 -41.540590 0.003290 LBFGSLineSearch: 5 17:12:51 -41.540592 0.003717 LBFGSLineSearch: 6 17:12:54 -41.540593 0.003731 LBFGSLineSearch: 7 17:12:58 -41.540596 0.003035 LBFGSLineSearch: 8 17:13:01 -41.540598 0.003302 LBFGSLineSearch: 9 17:13:02 -41.540599 0.002963 LBFGSLineSearch: 10 17:13:02 -41.540601 0.001967 LBFGSLineSearch: 11 17:13:02 -41.540602 0.001150 LBFGSLineSearch: 12 17:13:02 -41.540602 0.000862 LBFGSLineSearch: 13 17:13:02 -41.540603 0.000848 LBFGSLineSearch: 14 17:13:03 -41.540603 0.000912 LBFGSLineSearch: 15 17:13:03 -41.540603 0.000619 LBFGSLineSearch: 16 17:13:03 -41.540603 0.000915 LBFGSLineSearch: 17 17:13:03 -41.540603 0.000313 LBFGSLineSearch: 18 17:13:04 -41.540603 0.000051 LBFGSLineSearch: 19 17:13:04 -41.540603 0.000021 LBFGSLineSearch: 20 17:13:05 -41.540603 0.000014 LBFGSLineSearch: 21 17:13:06 -41.540603 0.000000 Minimization converged after 21 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:11 -40.784185 0.075642 LBFGSLineSearch: 1 17:13:11 -40.785666 0.036849 LBFGSLineSearch: 2 17:13:11 -40.785892 0.015118 LBFGSLineSearch: 3 17:13:12 -40.785925 0.004658 LBFGSLineSearch: 4 17:13:12 -40.785927 0.003533 LBFGSLineSearch: 5 17:13:12 -40.785929 0.004158 LBFGSLineSearch: 6 17:13:12 -40.785931 0.004225 LBFGSLineSearch: 7 17:13:12 -40.785933 0.004628 LBFGSLineSearch: 8 17:13:12 -40.785936 0.003030 LBFGSLineSearch: 9 17:13:13 -40.785938 0.002943 LBFGSLineSearch: 10 17:13:13 -40.785941 0.002101 LBFGSLineSearch: 11 17:13:13 -40.785941 0.001893 LBFGSLineSearch: 12 17:13:13 -40.785942 0.001223 LBFGSLineSearch: 13 17:13:14 -40.785942 0.001000 LBFGSLineSearch: 14 17:13:14 -40.785943 0.000907 LBFGSLineSearch: 15 17:13:14 -40.785943 0.000597 LBFGSLineSearch: 16 17:13:15 -40.785943 0.000751 LBFGSLineSearch: 17 17:13:15 -40.785943 0.001556 LBFGSLineSearch: 18 17:13:16 -40.785944 0.000701 LBFGSLineSearch: 19 17:13:16 -40.785944 0.000580 LBFGSLineSearch: 20 17:13:16 -40.785944 0.000254 LBFGSLineSearch: 21 17:13:17 -40.785944 0.000078 LBFGSLineSearch: 22 17:13:17 -40.785944 0.000024 LBFGSLineSearch: 23 17:13:18 -40.785944 0.000006 Minimization converged after 23 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:23 -39.940822 0.084513 LBFGSLineSearch: 1 17:13:24 -39.942642 0.040555 LBFGSLineSearch: 2 17:13:24 -39.942909 0.016392 LBFGSLineSearch: 3 17:13:24 -39.942948 0.004911 LBFGSLineSearch: 4 17:13:25 -39.942951 0.003791 LBFGSLineSearch: 5 17:13:25 -39.942953 0.004667 LBFGSLineSearch: 6 17:13:25 -39.942955 0.004810 LBFGSLineSearch: 7 17:13:27 -39.942958 0.005290 LBFGSLineSearch: 8 17:13:28 -39.942962 0.003531 LBFGSLineSearch: 9 17:13:29 -39.942965 0.003376 LBFGSLineSearch: 10 17:13:29 -39.942968 0.002530 LBFGSLineSearch: 11 17:13:30 -39.942970 0.001611 LBFGSLineSearch: 12 17:13:30 -39.942970 0.001368 LBFGSLineSearch: 13 17:13:30 -39.942970 0.001089 LBFGSLineSearch: 14 17:13:31 -39.942971 0.001204 LBFGSLineSearch: 15 17:13:32 -39.942971 0.000701 LBFGSLineSearch: 16 17:13:32 -39.942971 0.001494 LBFGSLineSearch: 17 17:13:33 -39.942972 0.000945 LBFGSLineSearch: 18 17:13:33 -39.942972 0.000016 LBFGSLineSearch: 19 17:13:33 -39.942972 0.000010 Minimization converged after 19 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:39 -38.999157 0.094383 LBFGSLineSearch: 1 17:13:43 -39.001389 0.044571 LBFGSLineSearch: 2 17:13:44 -39.001704 0.017729 LBFGSLineSearch: 3 17:13:44 -39.001749 0.005342 LBFGSLineSearch: 4 17:13:45 -39.001752 0.004229 LBFGSLineSearch: 5 17:13:46 -39.001756 0.006186 LBFGSLineSearch: 6 17:13:47 -39.001760 0.004243 LBFGSLineSearch: 7 17:13:47 -39.001767 0.003701 LBFGSLineSearch: 8 17:13:48 -39.001770 0.005060 LBFGSLineSearch: 9 17:13:49 -39.001774 0.003032 LBFGSLineSearch: 10 17:13:49 -39.001777 0.001857 LBFGSLineSearch: 11 17:13:49 -39.001778 0.001227 LBFGSLineSearch: 12 17:13:50 -39.001778 0.001565 LBFGSLineSearch: 13 17:13:50 -39.001779 0.000900 LBFGSLineSearch: 14 17:13:51 -39.001779 0.001719 LBFGSLineSearch: 15 17:13:51 -39.001780 0.001624 LBFGSLineSearch: 16 17:13:51 -39.001780 0.001015 LBFGSLineSearch: 17 17:13:52 -39.001780 0.000772 LBFGSLineSearch: 18 17:13:54 -39.001780 0.000428 LBFGSLineSearch: 19 17:13:56 -39.001780 0.000106 LBFGSLineSearch: 20 17:13:57 -39.001780 0.000037 LBFGSLineSearch: 21 17:14:00 -39.001780 0.000022 LBFGSLineSearch: 22 17:14:03 -39.001780 0.000010 LBFGSLineSearch: 23 17:14:06 -39.001780 0.000006 Minimization converged after 23 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:11 -37.948240 0.105358 LBFGSLineSearch: 1 17:14:11 -37.950971 0.048902 LBFGSLineSearch: 2 17:14:11 -37.951339 0.019129 LBFGSLineSearch: 3 17:14:12 -37.951392 0.005998 LBFGSLineSearch: 4 17:14:12 -37.951396 0.004788 LBFGSLineSearch: 5 17:14:12 -37.951400 0.007094 LBFGSLineSearch: 6 17:14:12 -37.951407 0.004986 LBFGSLineSearch: 7 17:14:13 -37.951415 0.004736 LBFGSLineSearch: 8 17:14:17 -37.951420 0.004966 LBFGSLineSearch: 9 17:14:21 -37.951424 0.003784 LBFGSLineSearch: 10 17:14:24 -37.951427 0.002616 LBFGSLineSearch: 11 17:14:25 -37.951429 0.002088 LBFGSLineSearch: 12 17:14:27 -37.951429 0.001768 LBFGSLineSearch: 13 17:14:29 -37.951430 0.001962 LBFGSLineSearch: 14 17:14:32 -37.951431 0.001782 LBFGSLineSearch: 15 17:14:34 -37.951431 0.001115 LBFGSLineSearch: 16 17:14:37 -37.951432 0.002369 LBFGSLineSearch: 17 17:14:39 -37.951433 0.000624 LBFGSLineSearch: 18 17:14:41 -37.951433 0.000589 LBFGSLineSearch: 19 17:14:43 -37.951433 0.000391 LBFGSLineSearch: 20 17:14:45 -37.951433 0.000217 LBFGSLineSearch: 21 17:14:47 -37.951433 0.000114 LBFGSLineSearch: 22 17:14:49 -37.951433 0.000053 LBFGSLineSearch: 23 17:14:53 -37.951433 0.000065 LBFGSLineSearch: 24 17:14:54 -37.951433 0.000017 LBFGSLineSearch: 25 17:14:55 -37.951433 0.000013 LBFGSLineSearch: 26 17:14:57 -37.951433 0.000007 Minimization converged after 26 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:02 -36.776000 0.117548 LBFGSLineSearch: 1 17:15:04 -36.779333 0.053571 LBFGSLineSearch: 2 17:15:07 -36.779763 0.020590 LBFGSLineSearch: 3 17:15:09 -36.779824 0.006744 LBFGSLineSearch: 4 17:15:11 -36.779830 0.005445 LBFGSLineSearch: 5 17:15:13 -36.779835 0.008208 LBFGSLineSearch: 6 17:15:15 -36.779843 0.005857 LBFGSLineSearch: 7 17:15:18 -36.779855 0.006077 LBFGSLineSearch: 8 17:15:20 -36.779862 0.003982 LBFGSLineSearch: 9 17:15:22 -36.779865 0.004237 LBFGSLineSearch: 10 17:15:24 -36.779868 0.003963 LBFGSLineSearch: 11 17:15:28 -36.779873 0.002092 LBFGSLineSearch: 12 17:15:32 -36.779875 0.002125 LBFGSLineSearch: 13 17:15:35 -36.779876 0.002651 LBFGSLineSearch: 14 17:15:38 -36.779876 0.001239 LBFGSLineSearch: 15 17:15:40 -36.779877 0.002490 LBFGSLineSearch: 16 17:15:41 -36.779879 0.000508 LBFGSLineSearch: 17 17:15:42 -36.779879 0.000200 LBFGSLineSearch: 18 17:15:42 -36.779879 0.000192 LBFGSLineSearch: 19 17:15:42 -36.779879 0.000148 LBFGSLineSearch: 20 17:15:43 -36.779879 0.000072 LBFGSLineSearch: 21 17:15:43 -36.779879 0.000036 LBFGSLineSearch: 22 17:15:44 -36.779879 0.000012 LBFGSLineSearch: 23 17:15:45 -36.779879 0.000012 LBFGSLineSearch: 24 17:15:45 -36.779879 0.000000 Minimization converged after 24 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:50 -35.469154 0.131073 LBFGSLineSearch: 1 17:15:51 -35.473210 0.058594 LBFGSLineSearch: 2 17:15:53 -35.473708 0.022113 LBFGSLineSearch: 3 17:15:54 -35.473780 0.007576 LBFGSLineSearch: 4 17:15:54 -35.473787 0.006233 LBFGSLineSearch: 5 17:15:55 -35.473793 0.009598 LBFGSLineSearch: 6 17:15:55 -35.473805 0.006633 LBFGSLineSearch: 7 17:15:55 -35.473820 0.007944 LBFGSLineSearch: 8 17:15:55 -35.473828 0.006451 LBFGSLineSearch: 9 17:15:55 -35.473835 0.005109 LBFGSLineSearch: 10 17:15:56 -35.473847 0.002602 LBFGSLineSearch: 11 17:15:56 -35.473848 0.002353 LBFGSLineSearch: 12 17:15:56 -35.473850 0.001775 LBFGSLineSearch: 13 17:15:57 -35.473851 0.002257 LBFGSLineSearch: 14 17:15:57 -35.473852 0.002433 LBFGSLineSearch: 15 17:15:57 -35.473854 0.003267 LBFGSLineSearch: 16 17:15:58 -35.473856 0.001252 LBFGSLineSearch: 17 17:15:58 -35.473856 0.000469 LBFGSLineSearch: 18 17:15:58 -35.473856 0.000385 LBFGSLineSearch: 19 17:15:59 -35.473856 0.000148 LBFGSLineSearch: 20 17:15:59 -35.473856 0.000138 LBFGSLineSearch: 21 17:15:59 -35.473856 0.000050 LBFGSLineSearch: 22 17:16:00 -35.473856 0.000056 LBFGSLineSearch: 23 17:16:01 -35.473856 0.000020 LBFGSLineSearch: 24 17:16:01 -35.473856 0.000005 Minimization converged after 24 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:06 -34.013103 0.146077 LBFGSLineSearch: 1 17:16:07 -34.018025 0.063990 LBFGSLineSearch: 2 17:16:07 -34.018599 0.023695 LBFGSLineSearch: 3 17:16:08 -34.018684 0.008521 LBFGSLineSearch: 4 17:16:08 -34.018692 0.007190 LBFGSLineSearch: 5 17:16:09 -34.018700 0.011366 LBFGSLineSearch: 6 17:16:09 -34.018718 0.007418 LBFGSLineSearch: 7 17:16:10 -34.018736 0.009362 LBFGSLineSearch: 8 17:16:11 -34.018745 0.007847 LBFGSLineSearch: 9 17:16:12 -34.018758 0.006426 LBFGSLineSearch: 10 17:16:12 -34.018777 0.003371 LBFGSLineSearch: 11 17:16:13 -34.018779 0.003021 LBFGSLineSearch: 12 17:16:13 -34.018783 0.002444 LBFGSLineSearch: 13 17:16:14 -34.018789 0.003868 LBFGSLineSearch: 14 17:16:15 -34.018791 0.002201 LBFGSLineSearch: 15 17:16:15 -34.018792 0.001123 LBFGSLineSearch: 16 17:16:16 -34.018792 0.000628 LBFGSLineSearch: 17 17:16:16 -34.018792 0.000280 LBFGSLineSearch: 18 17:16:16 -34.018792 0.000156 LBFGSLineSearch: 19 17:16:17 -34.018792 0.000094 LBFGSLineSearch: 20 17:16:17 -34.018792 0.000079 LBFGSLineSearch: 21 17:16:18 -34.018792 0.000036 LBFGSLineSearch: 22 17:16:18 -34.018792 0.000035 LBFGSLineSearch: 23 17:16:19 -34.018792 0.000009 Minimization converged after 23 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:23 -32.391838 0.162703 LBFGSLineSearch: 1 17:16:24 -32.397794 0.069785 LBFGSLineSearch: 2 17:16:24 -32.398452 0.025355 LBFGSLineSearch: 3 17:16:25 -32.398553 0.009617 LBFGSLineSearch: 4 17:16:25 -32.398562 0.008373 LBFGSLineSearch: 5 17:16:26 -32.398575 0.013676 LBFGSLineSearch: 6 17:16:26 -32.398601 0.008205 LBFGSLineSearch: 7 17:16:27 -32.398623 0.011059 LBFGSLineSearch: 8 17:16:29 -32.398638 0.009377 LBFGSLineSearch: 9 17:16:33 -32.398658 0.008201 LBFGSLineSearch: 10 17:16:36 -32.398689 0.004494 LBFGSLineSearch: 11 17:16:38 -32.398692 0.003854 LBFGSLineSearch: 12 17:16:41 -32.398700 0.003701 LBFGSLineSearch: 13 17:16:43 -32.398706 0.005905 LBFGSLineSearch: 14 17:16:46 -32.398711 0.004418 LBFGSLineSearch: 15 17:16:48 -32.398715 0.002829 LBFGSLineSearch: 16 17:16:51 -32.398716 0.001068 LBFGSLineSearch: 17 17:16:53 -32.398716 0.000544 LBFGSLineSearch: 18 17:16:56 -32.398717 0.000140 LBFGSLineSearch: 19 17:16:58 -32.398717 0.000075 LBFGSLineSearch: 20 17:17:00 -32.398717 0.000058 LBFGSLineSearch: 21 17:17:02 -32.398717 0.000059 LBFGSLineSearch: 22 17:17:04 -32.398717 0.000059 LBFGSLineSearch: 23 17:17:06 -32.398717 0.000009 Minimization converged after 23 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:10 -30.587860 0.181087 LBFGSLineSearch: 1 17:17:11 -30.595044 0.076009 LBFGSLineSearch: 2 17:17:11 -30.595796 0.027103 LBFGSLineSearch: 3 17:17:11 -30.595916 0.010922 LBFGSLineSearch: 4 17:17:11 -30.595928 0.009893 LBFGSLineSearch: 5 17:17:12 -30.595946 0.016808 LBFGSLineSearch: 6 17:17:12 -30.595987 0.010046 LBFGSLineSearch: 7 17:17:12 -30.596017 0.013498 LBFGSLineSearch: 8 17:17:12 -30.596041 0.011598 LBFGSLineSearch: 9 17:17:13 -30.596073 0.010817 LBFGSLineSearch: 10 17:17:13 -30.596130 0.006660 LBFGSLineSearch: 11 17:17:13 -30.596136 0.005652 LBFGSLineSearch: 12 17:17:13 -30.596151 0.005810 LBFGSLineSearch: 13 17:17:13 -30.596160 0.006321 LBFGSLineSearch: 14 17:17:13 -30.596168 0.009506 LBFGSLineSearch: 15 17:17:14 -30.596183 0.004424 LBFGSLineSearch: 16 17:17:15 -30.596186 0.004362 LBFGSLineSearch: 17 17:17:15 -30.596187 0.003049 LBFGSLineSearch: 18 17:17:16 -30.596188 0.001512 LBFGSLineSearch: 19 17:17:17 -30.596188 0.001419 LBFGSLineSearch: 20 17:17:17 -30.596188 0.001025 LBFGSLineSearch: 21 17:17:17 -30.596189 0.000271 LBFGSLineSearch: 22 17:17:18 -30.596189 0.000125 LBFGSLineSearch: 23 17:17:18 -30.596189 0.000110 LBFGSLineSearch: 24 17:17:18 -30.596189 0.000103 LBFGSLineSearch: 25 17:17:18 -30.596189 0.000093 LBFGSLineSearch: 26 17:17:18 -30.596189 0.000095 LBFGSLineSearch: 27 17:17:18 -30.596189 0.000093 LBFGSLineSearch: 28 17:17:18 -30.596189 0.000065 LBFGSLineSearch: 29 17:17:19 -30.596189 0.000001 Minimization converged after 29 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:23 -28.582158 0.201403 LBFGSLineSearch: 1 17:17:23 -28.590797 0.082760 LBFGSLineSearch: 2 17:17:23 -28.591649 0.028953 LBFGSLineSearch: 3 17:17:23 -28.591796 0.012603 LBFGSLineSearch: 4 17:17:24 -28.591819 0.016924 LBFGSLineSearch: 5 17:17:24 -28.591873 0.014778 LBFGSLineSearch: 6 17:17:25 -28.591912 0.015789 LBFGSLineSearch: 7 17:17:28 -28.591964 0.016910 LBFGSLineSearch: 8 17:17:31 -28.592030 0.012797 LBFGSLineSearch: 9 17:17:35 -28.592062 0.018017 LBFGSLineSearch: 10 17:17:38 -28.592173 0.009337 LBFGSLineSearch: 11 17:17:40 -28.592195 0.010132 LBFGSLineSearch: 12 17:17:42 -28.592216 0.011511 LBFGSLineSearch: 13 17:17:45 -28.592250 0.009877 LBFGSLineSearch: 14 17:17:48 -28.592284 0.008579 LBFGSLineSearch: 15 17:17:50 -28.592305 0.012819 LBFGSLineSearch: 16 17:17:52 -28.592334 0.017457 LBFGSLineSearch: 17 17:17:54 -28.592365 0.007475 LBFGSLineSearch: 18 17:17:56 -28.592370 0.003191 LBFGSLineSearch: 19 17:17:57 -28.592372 0.003173 LBFGSLineSearch: 20 17:17:57 -28.592374 0.001117 LBFGSLineSearch: 21 17:17:58 -28.592374 0.000386 LBFGSLineSearch: 22 17:18:00 -28.592374 0.000180 LBFGSLineSearch: 23 17:18:00 -28.592374 0.000169 LBFGSLineSearch: 24 17:18:02 -28.592374 0.000167 LBFGSLineSearch: 25 17:18:03 -28.592374 0.000160 LBFGSLineSearch: 26 17:18:06 -28.592374 0.000158 LBFGSLineSearch: 27 17:18:08 -28.592374 0.000000 Minimization converged after 27 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:13 -26.354693 0.223768 LBFGSLineSearch: 1 17:18:13 -26.365042 0.090295 LBFGSLineSearch: 2 17:18:13 -26.366004 0.030973 LBFGSLineSearch: 3 17:18:13 -26.366197 0.015271 LBFGSLineSearch: 4 17:18:14 -26.366235 0.023009 LBFGSLineSearch: 5 17:18:14 -26.366339 0.020600 LBFGSLineSearch: 6 17:18:14 -26.366409 0.020959 LBFGSLineSearch: 7 17:18:14 -26.366521 0.023983 LBFGSLineSearch: 8 17:18:14 -26.366682 0.023063 LBFGSLineSearch: 9 17:18:15 -26.366815 0.038678 LBFGSLineSearch: 10 17:18:15 -26.367386 0.023164 LBFGSLineSearch: 11 17:18:15 -26.367954 0.075584 LBFGSLineSearch: 12 17:18:15 -26.371975 0.207770 LBFGSLineSearch: 13 17:18:15 -26.372421 0.237281 LBFGSLineSearch: 14 17:18:15 -26.384298 0.300993 LBFGSLineSearch: 15 17:18:16 -26.404364 0.359473 LBFGSLineSearch: 16 17:18:16 -26.420598 0.309662 LBFGSLineSearch: 17 17:18:16 -26.435379 0.232240 LBFGSLineSearch: 18 17:18:16 -26.447796 0.219662 LBFGSLineSearch: 19 17:18:16 -26.463080 0.157996 LBFGSLineSearch: 20 17:18:16 -26.470710 0.160656 LBFGSLineSearch: 21 17:18:16 -26.476582 0.160190 LBFGSLineSearch: 22 17:18:16 -26.485176 0.194148 LBFGSLineSearch: 23 17:18:16 -26.487904 0.123993 LBFGSLineSearch: 24 17:18:16 -26.489404 0.064263 LBFGSLineSearch: 25 17:18:17 -26.489873 0.037154 LBFGSLineSearch: 26 17:18:17 -26.490065 0.011956 LBFGSLineSearch: 27 17:18:17 -26.490080 0.007636 LBFGSLineSearch: 28 17:18:17 -26.490085 0.005942 LBFGSLineSearch: 29 17:18:17 -26.490089 0.003043 LBFGSLineSearch: 30 17:18:17 -26.490090 0.002814 LBFGSLineSearch: 31 17:18:17 -26.490091 0.002688 LBFGSLineSearch: 32 17:18:18 -26.490098 0.004723 LBFGSLineSearch: 33 17:18:19 -26.490104 0.004423 LBFGSLineSearch: 34 17:18:20 -26.490128 0.001925 LBFGSLineSearch: 35 17:18:20 -26.490130 0.000173 LBFGSLineSearch: 36 17:18:21 -26.490130 0.000011 LBFGSLineSearch: 37 17:18:21 -26.490130 0.000001 Minimization converged after 37 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:26 -24.030393 0.245974 LBFGSLineSearch: 1 17:18:26 -24.042549 0.107667 LBFGSLineSearch: 2 17:18:27 -24.043397 0.023814 LBFGSLineSearch: 3 17:18:27 -24.043517 0.015370 LBFGSLineSearch: 4 17:18:28 -24.043553 0.014878 LBFGSLineSearch: 5 17:18:28 -24.043571 0.011581 LBFGSLineSearch: 6 17:18:29 -24.043580 0.006962 LBFGSLineSearch: 7 17:18:30 -24.043586 0.004326 LBFGSLineSearch: 8 17:18:32 -24.043588 0.003597 LBFGSLineSearch: 9 17:18:33 -24.043589 0.002683 LBFGSLineSearch: 10 17:18:35 -24.043590 0.002356 LBFGSLineSearch: 11 17:18:36 -24.043591 0.002095 LBFGSLineSearch: 12 17:18:39 -24.043592 0.002805 LBFGSLineSearch: 13 17:18:41 -24.043593 0.002163 LBFGSLineSearch: 14 17:18:44 -24.043594 0.001902 LBFGSLineSearch: 15 17:18:47 -24.043594 0.001080 LBFGSLineSearch: 16 17:18:48 -24.043594 0.000628 LBFGSLineSearch: 17 17:18:51 -24.043594 0.000421 LBFGSLineSearch: 18 17:18:53 -24.043594 0.000394 LBFGSLineSearch: 19 17:18:55 -24.043594 0.000572 LBFGSLineSearch: 20 17:18:58 -24.043595 0.000393 LBFGSLineSearch: 21 17:19:00 -24.043595 0.000198 LBFGSLineSearch: 22 17:19:02 -24.043595 0.000211 LBFGSLineSearch: 23 17:19:03 -24.043595 0.000125 LBFGSLineSearch: 24 17:19:06 -24.043595 0.000057 LBFGSLineSearch: 25 17:19:08 -24.043595 0.000023 LBFGSLineSearch: 26 17:19:10 -24.043595 0.000007 Minimization converged after 26 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:16 -21.311972 0.273170 LBFGSLineSearch: 1 17:19:19 -21.323566 0.125908 LBFGSLineSearch: 2 17:19:20 -21.327068 0.066418 LBFGSLineSearch: 3 17:19:23 -21.327419 0.021754 LBFGSLineSearch: 4 17:19:26 -21.327492 0.018021 LBFGSLineSearch: 5 17:19:28 -21.327581 0.013885 LBFGSLineSearch: 6 17:19:31 -21.327597 0.006215 LBFGSLineSearch: 7 17:19:33 -21.327601 0.003143 LBFGSLineSearch: 8 17:19:34 -21.327603 0.002470 LBFGSLineSearch: 9 17:19:34 -21.327604 0.002516 LBFGSLineSearch: 10 17:19:34 -21.327605 0.002501 LBFGSLineSearch: 11 17:19:34 -21.327607 0.002714 LBFGSLineSearch: 12 17:19:34 -21.327607 0.001484 LBFGSLineSearch: 13 17:19:35 -21.327607 0.001642 LBFGSLineSearch: 14 17:19:36 -21.327608 0.001139 LBFGSLineSearch: 15 17:19:39 -21.327608 0.000494 LBFGSLineSearch: 16 17:19:41 -21.327608 0.000501 LBFGSLineSearch: 17 17:19:43 -21.327608 0.000470 LBFGSLineSearch: 18 17:19:43 -21.327608 0.000167 LBFGSLineSearch: 19 17:19:43 -21.327608 0.000142 LBFGSLineSearch: 20 17:19:44 -21.327608 0.000074 LBFGSLineSearch: 21 17:19:44 -21.327608 0.000047 LBFGSLineSearch: 22 17:19:45 -21.327608 0.000001 Minimization converged after 22 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:50 -18.296198 0.303141 LBFGSLineSearch: 1 17:19:50 -18.310278 0.133605 LBFGSLineSearch: 2 17:19:50 -18.314097 0.068544 LBFGSLineSearch: 3 17:19:51 -18.314462 0.022239 LBFGSLineSearch: 4 17:19:51 -18.314541 0.018688 LBFGSLineSearch: 5 17:19:52 -18.314633 0.014558 LBFGSLineSearch: 6 17:19:52 -18.314650 0.006665 LBFGSLineSearch: 7 17:19:52 -18.314655 0.003594 LBFGSLineSearch: 8 17:19:53 -18.314656 0.002727 LBFGSLineSearch: 9 17:19:53 -18.314658 0.002803 LBFGSLineSearch: 10 17:19:54 -18.314660 0.003069 LBFGSLineSearch: 11 17:19:54 -18.314662 0.002280 LBFGSLineSearch: 12 17:19:55 -18.314662 0.002087 LBFGSLineSearch: 13 17:19:55 -18.314663 0.002140 LBFGSLineSearch: 14 17:19:55 -18.314663 0.000800 LBFGSLineSearch: 15 17:19:55 -18.314663 0.000672 LBFGSLineSearch: 16 17:19:55 -18.314663 0.000529 LBFGSLineSearch: 17 17:19:56 -18.314663 0.000583 LBFGSLineSearch: 18 17:19:56 -18.314663 0.000219 LBFGSLineSearch: 19 17:19:56 -18.314663 0.000173 LBFGSLineSearch: 20 17:19:56 -18.314663 0.000134 LBFGSLineSearch: 21 17:19:56 -18.314663 0.000149 LBFGSLineSearch: 22 17:19:56 -18.314663 0.000048 LBFGSLineSearch: 23 17:19:56 -18.314663 0.000003 Minimization converged after 23 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:02 -14.953018 0.336167 LBFGSLineSearch: 1 17:20:02 -14.970064 0.140736 LBFGSLineSearch: 2 17:20:03 -14.974170 0.070230 LBFGSLineSearch: 3 17:20:06 -14.974545 0.022671 LBFGSLineSearch: 4 17:20:08 -14.974631 0.019247 LBFGSLineSearch: 5 17:20:10 -14.974725 0.015131 LBFGSLineSearch: 6 17:20:13 -14.974743 0.007028 LBFGSLineSearch: 7 17:20:13 -14.974748 0.004075 LBFGSLineSearch: 8 17:20:13 -14.974750 0.003033 LBFGSLineSearch: 9 17:20:14 -14.974752 0.003159 LBFGSLineSearch: 10 17:20:14 -14.974754 0.003772 LBFGSLineSearch: 11 17:20:15 -14.974756 0.002124 LBFGSLineSearch: 12 17:20:15 -14.974757 0.003163 LBFGSLineSearch: 13 17:20:17 -14.974758 0.001201 LBFGSLineSearch: 14 17:20:18 -14.974758 0.000818 LBFGSLineSearch: 15 17:20:18 -14.974758 0.000890 LBFGSLineSearch: 16 17:20:19 -14.974758 0.000835 LBFGSLineSearch: 17 17:20:19 -14.974759 0.000351 LBFGSLineSearch: 18 17:20:20 -14.974759 0.000261 LBFGSLineSearch: 19 17:20:20 -14.974759 0.000449 LBFGSLineSearch: 20 17:20:22 -14.974759 0.000004 Minimization converged after 20 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:28 -11.249686 0.372507 LBFGSLineSearch: 1 17:20:29 -11.270259 0.146973 LBFGSLineSearch: 2 17:20:29 -11.274601 0.071365 LBFGSLineSearch: 3 17:20:30 -11.274981 0.023047 LBFGSLineSearch: 4 17:20:30 -11.275075 0.019659 LBFGSLineSearch: 5 17:20:30 -11.275171 0.015558 LBFGSLineSearch: 6 17:20:31 -11.275189 0.007279 LBFGSLineSearch: 7 17:20:31 -11.275195 0.004599 LBFGSLineSearch: 8 17:20:31 -11.275197 0.003367 LBFGSLineSearch: 9 17:20:31 -11.275199 0.003612 LBFGSLineSearch: 10 17:20:31 -11.275202 0.004361 LBFGSLineSearch: 11 17:20:32 -11.275205 0.002896 LBFGSLineSearch: 12 17:20:32 -11.275206 0.003524 LBFGSLineSearch: 13 17:20:32 -11.275207 0.001389 LBFGSLineSearch: 14 17:20:32 -11.275207 0.000947 LBFGSLineSearch: 15 17:20:33 -11.275207 0.000840 LBFGSLineSearch: 16 17:20:33 -11.275207 0.000744 LBFGSLineSearch: 17 17:20:33 -11.275207 0.000540 LBFGSLineSearch: 18 17:20:34 -11.275207 0.000466 LBFGSLineSearch: 19 17:20:34 -11.275208 0.000425 LBFGSLineSearch: 20 17:20:34 -11.275208 0.000111 LBFGSLineSearch: 21 17:20:34 -11.275208 0.000001 Minimization converged after 21 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:39 -7.150565 0.412465 LBFGSLineSearch: 1 17:20:39 -7.175309 0.151905 LBFGSLineSearch: 2 17:20:39 -7.179816 0.071857 LBFGSLineSearch: 3 17:20:40 -7.180196 0.023372 LBFGSLineSearch: 4 17:20:40 -7.180299 0.019870 LBFGSLineSearch: 5 17:20:40 -7.180396 0.015778 LBFGSLineSearch: 6 17:20:40 -7.180414 0.007393 LBFGSLineSearch: 7 17:20:41 -7.180420 0.005171 LBFGSLineSearch: 8 17:20:41 -7.180423 0.003714 LBFGSLineSearch: 9 17:20:41 -7.180426 0.004272 LBFGSLineSearch: 10 17:20:42 -7.180429 0.004902 LBFGSLineSearch: 11 17:20:42 -7.180433 0.004098 LBFGSLineSearch: 12 17:20:42 -7.180435 0.002089 LBFGSLineSearch: 13 17:20:42 -7.180435 0.001518 LBFGSLineSearch: 14 17:20:43 -7.180435 0.001044 LBFGSLineSearch: 15 17:20:43 -7.180435 0.001052 LBFGSLineSearch: 16 17:20:43 -7.180435 0.001027 LBFGSLineSearch: 17 17:20:44 -7.180435 0.001586 LBFGSLineSearch: 18 17:20:44 -7.180436 0.000771 LBFGSLineSearch: 19 17:20:44 -7.180436 0.001164 LBFGSLineSearch: 20 17:20:45 -7.180436 0.000667 LBFGSLineSearch: 21 17:20:45 -7.180436 0.000714 LBFGSLineSearch: 22 17:20:47 -7.180436 0.000866 LBFGSLineSearch: 23 17:20:49 -7.180437 0.000276 LBFGSLineSearch: 24 17:20:49 -7.180437 0.000003 Minimization converged after 24 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:54 -2.616908 0.456353 LBFGSLineSearch: 1 17:20:54 -2.646559 0.155022 LBFGSLineSearch: 2 17:20:55 -2.651137 0.071579 LBFGSLineSearch: 3 17:20:57 -2.651435 0.041762 LBFGSLineSearch: 4 17:20:58 -2.651583 0.019832 LBFGSLineSearch: 5 17:20:59 -2.651671 0.031171 LBFGSLineSearch: 6 17:21:01 -2.651732 0.011030 LBFGSLineSearch: 7 17:21:04 -2.651744 0.005705 LBFGSLineSearch: 8 17:21:06 -2.651749 0.005114 LBFGSLineSearch: 9 17:21:08 -2.651752 0.004923 LBFGSLineSearch: 10 17:21:11 -2.651756 0.005693 LBFGSLineSearch: 11 17:21:13 -2.651761 0.004758 LBFGSLineSearch: 12 17:21:13 -2.651764 0.004235 LBFGSLineSearch: 13 17:21:14 -2.651765 0.001771 LBFGSLineSearch: 14 17:21:14 -2.651766 0.001115 LBFGSLineSearch: 15 17:21:15 -2.651766 0.001138 LBFGSLineSearch: 16 17:21:15 -2.651766 0.001504 LBFGSLineSearch: 17 17:21:16 -2.651767 0.001127 LBFGSLineSearch: 18 17:21:16 -2.651767 0.001009 LBFGSLineSearch: 19 17:21:17 -2.651767 0.000988 LBFGSLineSearch: 20 17:21:18 -2.651769 0.001335 LBFGSLineSearch: 21 17:21:18 -2.651769 0.000241 LBFGSLineSearch: 22 17:21:18 -2.651769 0.000000 Minimization converged after 22 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:23 2.393371 0.504514 LBFGSLineSearch: 1 17:21:23 2.357980 0.155705 LBFGSLineSearch: 2 17:21:24 2.353445 0.070393 LBFGSLineSearch: 3 17:21:24 2.353148 0.041878 LBFGSLineSearch: 4 17:21:25 2.353005 0.020665 LBFGSLineSearch: 5 17:21:25 2.352913 0.031831 LBFGSLineSearch: 6 17:21:25 2.352851 0.010412 LBFGSLineSearch: 7 17:21:26 2.352839 0.006110 LBFGSLineSearch: 8 17:21:26 2.352833 0.005595 LBFGSLineSearch: 9 17:21:26 2.352829 0.005441 LBFGSLineSearch: 10 17:21:26 2.352824 0.006747 LBFGSLineSearch: 11 17:21:26 2.352818 0.004466 LBFGSLineSearch: 12 17:21:27 2.352815 0.004359 LBFGSLineSearch: 13 17:21:27 2.352814 0.001977 LBFGSLineSearch: 14 17:21:27 2.352813 0.001225 LBFGSLineSearch: 15 17:21:27 2.352813 0.001383 LBFGSLineSearch: 16 17:21:27 2.352812 0.001358 LBFGSLineSearch: 17 17:21:28 2.352812 0.002388 LBFGSLineSearch: 18 17:21:28 2.352811 0.001406 LBFGSLineSearch: 19 17:21:28 2.352811 0.001470 LBFGSLineSearch: 20 17:21:29 2.352810 0.001211 LBFGSLineSearch: 21 17:21:29 2.352809 0.000382 LBFGSLineSearch: 22 17:21:30 2.352809 0.000001 Minimization converged after 22 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:35 7.925946 0.557314 LBFGSLineSearch: 1 17:21:35 7.883885 0.153201 LBFGSLineSearch: 2 17:21:35 7.879523 0.068805 LBFGSLineSearch: 3 17:21:36 7.879229 0.041590 LBFGSLineSearch: 4 17:21:36 7.879093 0.021537 LBFGSLineSearch: 5 17:21:36 7.878994 0.031996 LBFGSLineSearch: 6 17:21:36 7.878934 0.009559 LBFGSLineSearch: 7 17:21:37 7.878921 0.006452 LBFGSLineSearch: 8 17:21:37 7.878915 0.006081 LBFGSLineSearch: 9 17:21:37 7.878909 0.005878 LBFGSLineSearch: 10 17:21:38 7.878903 0.007791 LBFGSLineSearch: 11 17:21:38 7.878896 0.005625 LBFGSLineSearch: 12 17:21:38 7.878893 0.003719 LBFGSLineSearch: 13 17:21:39 7.878892 0.002135 LBFGSLineSearch: 14 17:21:39 7.878892 0.001525 LBFGSLineSearch: 15 17:21:40 7.878891 0.001761 LBFGSLineSearch: 16 17:21:40 7.878890 0.002707 LBFGSLineSearch: 17 17:21:40 7.878889 0.002044 LBFGSLineSearch: 18 17:21:41 7.878888 0.001777 LBFGSLineSearch: 19 17:21:41 7.878887 0.001806 LBFGSLineSearch: 20 17:21:41 7.878887 0.001518 LBFGSLineSearch: 21 17:21:41 7.878885 0.000414 LBFGSLineSearch: 22 17:21:42 7.878885 0.000001 Minimization converged after 22 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:47 14.030336 0.615145 LBFGSLineSearch: 1 17:21:47 13.980579 0.148172 LBFGSLineSearch: 2 17:21:47 13.976523 0.070148 LBFGSLineSearch: 3 17:21:48 13.976239 0.040831 LBFGSLineSearch: 4 17:21:48 13.976107 0.022475 LBFGSLineSearch: 5 17:21:48 13.976002 0.031342 LBFGSLineSearch: 6 17:21:49 13.975945 0.008470 LBFGSLineSearch: 7 17:21:49 13.975933 0.006623 LBFGSLineSearch: 8 17:21:49 13.975925 0.006563 LBFGSLineSearch: 9 17:21:50 13.975918 0.006766 LBFGSLineSearch: 10 17:21:50 13.975910 0.008524 LBFGSLineSearch: 11 17:21:51 13.975903 0.006547 LBFGSLineSearch: 12 17:21:51 13.975900 0.002857 LBFGSLineSearch: 13 17:21:52 13.975899 0.001975 LBFGSLineSearch: 14 17:21:52 13.975898 0.001819 LBFGSLineSearch: 15 17:21:52 13.975897 0.002103 LBFGSLineSearch: 16 17:21:53 13.975896 0.003268 LBFGSLineSearch: 17 17:21:53 13.975893 0.001708 LBFGSLineSearch: 18 17:21:53 13.975892 0.001985 LBFGSLineSearch: 19 17:21:54 13.975892 0.002067 LBFGSLineSearch: 20 17:21:54 13.975892 0.001574 LBFGSLineSearch: 21 17:21:55 13.975890 0.000082 LBFGSLineSearch: 22 17:21:55 13.975890 0.000000 Minimization converged after 22 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:01 20.760182 0.678429 LBFGSLineSearch: 1 17:22:01 20.701620 0.165306 LBFGSLineSearch: 2 17:22:01 20.697995 0.070974 LBFGSLineSearch: 3 17:22:02 20.697723 0.039536 LBFGSLineSearch: 4 17:22:02 20.697595 0.023526 LBFGSLineSearch: 5 17:22:02 20.697502 0.026312 LBFGSLineSearch: 6 17:22:02 20.697446 0.014648 LBFGSLineSearch: 7 17:22:03 20.697429 0.008473 LBFGSLineSearch: 8 17:22:03 20.697422 0.007407 LBFGSLineSearch: 9 17:22:03 20.697415 0.006727 LBFGSLineSearch: 10 17:22:04 20.697407 0.006306 LBFGSLineSearch: 11 17:22:05 20.697396 0.005677 LBFGSLineSearch: 12 17:22:06 20.697389 0.006431 LBFGSLineSearch: 13 17:22:06 20.697383 0.004022 LBFGSLineSearch: 14 17:22:06 20.697381 0.002195 LBFGSLineSearch: 15 17:22:07 20.697380 0.002219 LBFGSLineSearch: 16 17:22:07 20.697379 0.002361 LBFGSLineSearch: 17 17:22:08 20.697377 0.004278 LBFGSLineSearch: 18 17:22:08 20.697374 0.003356 LBFGSLineSearch: 19 17:22:08 20.697371 0.002584 LBFGSLineSearch: 20 17:22:09 20.697370 0.002023 LBFGSLineSearch: 21 17:22:09 20.697370 0.001777 LBFGSLineSearch: 22 17:22:10 20.697370 0.002194 LBFGSLineSearch: 23 17:22:10 20.697369 0.001505 LBFGSLineSearch: 24 17:22:11 20.697368 0.001402 LBFGSLineSearch: 25 17:22:11 20.697368 0.000424 LBFGSLineSearch: 26 17:22:12 20.697368 0.000000 Minimization converged after 26 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:17 28.173548 0.747618 LBFGSLineSearch: 1 17:22:19 28.105006 0.184606 LBFGSLineSearch: 2 17:22:21 28.101894 0.071169 LBFGSLineSearch: 3 17:22:22 28.101638 0.037692 LBFGSLineSearch: 4 17:22:23 28.101511 0.024760 LBFGSLineSearch: 5 17:22:23 28.101406 0.025118 LBFGSLineSearch: 6 17:22:24 28.101360 0.012055 LBFGSLineSearch: 7 17:22:26 28.101346 0.008928 LBFGSLineSearch: 8 17:22:26 28.101338 0.007114 LBFGSLineSearch: 9 17:22:27 28.101327 0.006247 LBFGSLineSearch: 10 17:22:27 28.101316 0.006135 LBFGSLineSearch: 11 17:22:28 28.101304 0.007913 LBFGSLineSearch: 12 17:22:28 28.101297 0.004889 LBFGSLineSearch: 13 17:22:28 28.101294 0.002940 LBFGSLineSearch: 14 17:22:30 28.101293 0.002578 LBFGSLineSearch: 15 17:22:32 28.101292 0.002415 LBFGSLineSearch: 16 17:22:36 28.101289 0.004865 LBFGSLineSearch: 17 17:22:38 28.101284 0.003931 LBFGSLineSearch: 18 17:22:40 28.101280 0.003522 LBFGSLineSearch: 19 17:22:42 28.101280 0.001964 LBFGSLineSearch: 20 17:22:44 28.101279 0.001728 LBFGSLineSearch: 21 17:22:47 28.101279 0.001956 LBFGSLineSearch: 22 17:22:49 28.101279 0.001508 LBFGSLineSearch: 23 17:22:51 28.101278 0.001260 LBFGSLineSearch: 24 17:22:53 28.101278 0.000344 LBFGSLineSearch: 25 17:22:56 28.101278 0.000000 Minimization converged after 25 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:01 36.333230 0.823195 LBFGSLineSearch: 1 17:23:01 36.253502 0.206376 LBFGSLineSearch: 2 17:23:01 36.250904 0.070593 LBFGSLineSearch: 3 17:23:01 36.250665 0.035534 LBFGSLineSearch: 4 17:23:02 36.250495 0.040886 LBFGSLineSearch: 5 17:23:02 36.250388 0.010906 LBFGSLineSearch: 6 17:23:02 36.250372 0.008530 LBFGSLineSearch: 7 17:23:03 36.250361 0.008752 LBFGSLineSearch: 8 17:23:05 36.250347 0.009098 LBFGSLineSearch: 9 17:23:08 36.250334 0.011845 LBFGSLineSearch: 10 17:23:11 36.250324 0.009099 LBFGSLineSearch: 11 17:23:14 36.250319 0.005120 LBFGSLineSearch: 12 17:23:16 36.250317 0.003109 LBFGSLineSearch: 13 17:23:19 36.250316 0.003600 LBFGSLineSearch: 14 17:23:22 36.250312 0.005258 LBFGSLineSearch: 15 17:23:25 36.250307 0.007826 LBFGSLineSearch: 16 17:23:26 36.250301 0.003729 LBFGSLineSearch: 17 17:23:27 36.250300 0.001626 LBFGSLineSearch: 18 17:23:28 36.250300 0.001546 LBFGSLineSearch: 19 17:23:28 36.250299 0.000051 LBFGSLineSearch: 20 17:23:29 36.250299 0.000000 Minimization converged after 20 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:34 45.307086 0.905679 LBFGSLineSearch: 1 17:23:35 45.214990 0.230984 LBFGSLineSearch: 2 17:23:35 45.212764 0.069083 LBFGSLineSearch: 3 17:23:35 45.212543 0.033888 LBFGSLineSearch: 4 17:23:35 45.212360 0.040452 LBFGSLineSearch: 5 17:23:36 45.212265 0.011005 LBFGSLineSearch: 6 17:23:36 45.212250 0.008726 LBFGSLineSearch: 7 17:23:37 45.212238 0.011835 LBFGSLineSearch: 8 17:23:37 45.212224 0.012646 LBFGSLineSearch: 9 17:23:38 45.212209 0.012914 LBFGSLineSearch: 10 17:23:38 45.212197 0.009238 LBFGSLineSearch: 11 17:23:39 45.212192 0.005658 LBFGSLineSearch: 12 17:23:40 45.212189 0.003322 LBFGSLineSearch: 13 17:23:40 45.212187 0.005437 LBFGSLineSearch: 14 17:23:41 45.212182 0.004923 LBFGSLineSearch: 15 17:23:41 45.212176 0.005193 LBFGSLineSearch: 16 17:23:41 45.212169 0.002247 LBFGSLineSearch: 17 17:23:41 45.212168 0.001434 LBFGSLineSearch: 18 17:23:42 45.212168 0.000280 LBFGSLineSearch: 19 17:23:42 45.212167 0.000006 Minimization converged after 19 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:46 55.168394 0.995620 LBFGSLineSearch: 1 17:23:46 55.062844 0.258824 LBFGSLineSearch: 2 17:23:47 55.060617 0.066443 LBFGSLineSearch: 3 17:23:48 55.060417 0.034068 LBFGSLineSearch: 4 17:23:49 55.060246 0.027961 LBFGSLineSearch: 5 17:23:49 55.060156 0.017007 LBFGSLineSearch: 6 17:23:49 55.060131 0.010960 LBFGSLineSearch: 7 17:23:50 55.060123 0.010368 LBFGSLineSearch: 8 17:23:50 55.060112 0.010928 LBFGSLineSearch: 9 17:23:50 55.060092 0.010275 LBFGSLineSearch: 10 17:23:50 55.060070 0.008811 LBFGSLineSearch: 11 17:23:51 55.060059 0.008253 LBFGSLineSearch: 12 17:23:51 55.060054 0.004839 LBFGSLineSearch: 13 17:23:51 55.060050 0.003933 LBFGSLineSearch: 14 17:23:52 55.060049 0.003459 LBFGSLineSearch: 15 17:23:52 55.060039 0.010993 LBFGSLineSearch: 16 17:23:52 55.060032 0.007139 LBFGSLineSearch: 17 17:23:52 55.060026 0.003560 LBFGSLineSearch: 18 17:23:53 55.060025 0.001495 LBFGSLineSearch: 19 17:23:53 55.060025 0.001154 LBFGSLineSearch: 20 17:23:53 55.060025 0.001000 LBFGSLineSearch: 21 17:23:53 55.060025 0.001307 LBFGSLineSearch: 22 17:23:53 55.060025 0.000502 LBFGSLineSearch: 23 17:23:54 55.060025 0.000070 LBFGSLineSearch: 24 17:23:54 55.060025 0.000013 LBFGSLineSearch: 25 17:23:54 55.060025 0.000000 Minimization converged after 25 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:00 65.996221 1.093620 LBFGSLineSearch: 1 17:24:02 65.875769 0.274691 LBFGSLineSearch: 2 17:24:02 65.873389 0.062719 LBFGSLineSearch: 3 17:24:03 65.873132 0.054190 LBFGSLineSearch: 4 17:24:03 65.872939 0.019961 LBFGSLineSearch: 5 17:24:04 65.872914 0.011951 LBFGSLineSearch: 6 17:24:05 65.872901 0.010864 LBFGSLineSearch: 7 17:24:06 65.872884 0.009821 LBFGSLineSearch: 8 17:24:06 65.872859 0.012703 LBFGSLineSearch: 9 17:24:07 65.872834 0.012007 LBFGSLineSearch: 10 17:24:07 65.872826 0.007119 LBFGSLineSearch: 11 17:24:08 65.872821 0.004504 LBFGSLineSearch: 12 17:24:09 65.872819 0.004350 LBFGSLineSearch: 13 17:24:09 65.872806 0.007372 LBFGSLineSearch: 14 17:24:10 65.872792 0.005102 LBFGSLineSearch: 15 17:24:10 65.872790 0.001628 LBFGSLineSearch: 16 17:24:10 65.872789 0.001053 LBFGSLineSearch: 17 17:24:10 65.872789 0.000979 LBFGSLineSearch: 18 17:24:11 65.872789 0.001041 LBFGSLineSearch: 19 17:24:11 65.872789 0.000282 LBFGSLineSearch: 20 17:24:12 65.872789 0.000038 LBFGSLineSearch: 21 17:24:12 65.872789 0.000001 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:17 77.875810 1.200303 LBFGSLineSearch: 1 17:24:17 77.738689 0.291003 LBFGSLineSearch: 2 17:24:17 77.736173 0.057466 LBFGSLineSearch: 3 17:24:18 77.735907 0.057722 LBFGSLineSearch: 4 17:24:18 77.735754 0.033288 LBFGSLineSearch: 5 17:24:18 77.735690 0.012550 LBFGSLineSearch: 6 17:24:18 77.735675 0.011346 LBFGSLineSearch: 7 17:24:18 77.735655 0.014878 LBFGSLineSearch: 8 17:24:19 77.735625 0.014237 LBFGSLineSearch: 9 17:24:19 77.735598 0.009965 LBFGSLineSearch: 10 17:24:19 77.735590 0.006551 LBFGSLineSearch: 11 17:24:19 77.735584 0.004906 LBFGSLineSearch: 12 17:24:19 77.735581 0.005212 LBFGSLineSearch: 13 17:24:20 77.735563 0.011079 LBFGSLineSearch: 14 17:24:20 77.735550 0.005749 LBFGSLineSearch: 15 17:24:20 77.735548 0.001356 LBFGSLineSearch: 16 17:24:20 77.735548 0.000783 LBFGSLineSearch: 17 17:24:21 77.735548 0.000835 LBFGSLineSearch: 18 17:24:21 77.735547 0.000239 LBFGSLineSearch: 19 17:24:21 77.735547 0.000000 Minimization converged after 19 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:25 90.899003 1.316346 LBFGSLineSearch: 1 17:24:26 90.743280 0.308372 LBFGSLineSearch: 2 17:24:26 90.740644 0.054153 LBFGSLineSearch: 3 17:24:26 90.740426 0.037848 LBFGSLineSearch: 4 17:24:26 90.740212 0.036502 LBFGSLineSearch: 5 17:24:27 90.740138 0.018594 LBFGSLineSearch: 6 17:24:27 90.740123 0.013415 LBFGSLineSearch: 7 17:24:27 90.740110 0.016726 LBFGSLineSearch: 8 17:24:27 90.740075 0.009712 LBFGSLineSearch: 9 17:24:28 90.740050 0.018976 LBFGSLineSearch: 10 17:24:28 90.740024 0.008786 LBFGSLineSearch: 11 17:24:28 90.740016 0.006354 LBFGSLineSearch: 12 17:24:28 90.740010 0.006312 LBFGSLineSearch: 13 17:24:29 90.740005 0.005821 LBFGSLineSearch: 14 17:24:29 90.739986 0.011610 LBFGSLineSearch: 15 17:24:29 90.739969 0.005415 LBFGSLineSearch: 16 17:24:30 90.739967 0.001350 LBFGSLineSearch: 17 17:24:30 90.739967 0.000619 LBFGSLineSearch: 18 17:24:30 90.739967 0.000562 LBFGSLineSearch: 19 17:24:30 90.739967 0.000677 LBFGSLineSearch: 20 17:24:31 90.739967 0.000018 LBFGSLineSearch: 21 17:24:31 90.739967 0.000000 Minimization converged after 21 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:36 105.164669 1.442470 LBFGSLineSearch: 1 17:24:36 104.988224 0.326926 LBFGSLineSearch: 2 17:24:36 104.985498 0.075073 LBFGSLineSearch: 3 17:24:37 104.985217 0.039103 LBFGSLineSearch: 4 17:24:37 104.985031 0.036293 LBFGSLineSearch: 5 17:24:37 104.984928 0.019003 LBFGSLineSearch: 6 17:24:38 104.984911 0.014554 LBFGSLineSearch: 7 17:24:38 104.984897 0.015670 LBFGSLineSearch: 8 17:24:38 104.984853 0.014125 LBFGSLineSearch: 9 17:24:39 104.984828 0.012241 LBFGSLineSearch: 10 17:24:39 104.984807 0.010999 LBFGSLineSearch: 11 17:24:40 104.984793 0.009713 LBFGSLineSearch: 12 17:24:40 104.984786 0.006396 LBFGSLineSearch: 13 17:24:40 104.984781 0.007381 LBFGSLineSearch: 14 17:24:41 104.984772 0.006419 LBFGSLineSearch: 15 17:24:41 104.984759 0.007170 LBFGSLineSearch: 16 17:24:41 104.984739 0.010624 LBFGSLineSearch: 17 17:24:42 104.984731 0.005037 LBFGSLineSearch: 18 17:24:42 104.984729 0.000501 LBFGSLineSearch: 19 17:24:42 104.984729 0.000402 LBFGSLineSearch: 20 17:24:43 104.984729 0.000346 LBFGSLineSearch: 21 17:24:43 104.984729 0.000545 LBFGSLineSearch: 22 17:24:43 104.984729 0.000062 LBFGSLineSearch: 23 17:24:44 104.984729 0.000006 Minimization converged after 23 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:49 120.779161 1.579444 LBFGSLineSearch: 1 17:24:50 120.579675 0.346770 LBFGSLineSearch: 2 17:24:50 120.576901 0.108683 LBFGSLineSearch: 3 17:24:50 120.576506 0.042895 LBFGSLineSearch: 4 17:24:50 120.576341 0.035198 LBFGSLineSearch: 5 17:24:50 120.576217 0.021548 LBFGSLineSearch: 6 17:24:50 120.576197 0.015700 LBFGSLineSearch: 7 17:24:51 120.576181 0.015999 LBFGSLineSearch: 8 17:24:51 120.576122 0.012922 LBFGSLineSearch: 9 17:24:51 120.576089 0.011773 LBFGSLineSearch: 10 17:24:51 120.576065 0.014367 LBFGSLineSearch: 11 17:24:51 120.576051 0.007319 LBFGSLineSearch: 12 17:24:52 120.576040 0.008194 LBFGSLineSearch: 13 17:24:52 120.576032 0.011521 LBFGSLineSearch: 14 17:24:52 120.576007 0.010784 LBFGSLineSearch: 15 17:24:52 120.575990 0.009182 LBFGSLineSearch: 16 17:24:52 120.575986 0.002661 LBFGSLineSearch: 17 17:24:52 120.575986 0.000295 LBFGSLineSearch: 18 17:24:53 120.575986 0.000282 LBFGSLineSearch: 19 17:24:53 120.575986 0.000256 LBFGSLineSearch: 20 17:24:53 120.575986 0.000212 LBFGSLineSearch: 21 17:24:53 120.575986 0.000252 LBFGSLineSearch: 22 17:24:53 120.575986 0.000039 LBFGSLineSearch: 23 17:24:54 120.575986 0.000001 Minimization converged after 23 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:58 137.856799 1.728081 LBFGSLineSearch: 1 17:24:59 137.631734 0.368093 LBFGSLineSearch: 2 17:24:59 137.628972 0.148892 LBFGSLineSearch: 3 17:25:00 137.628394 0.047980 LBFGSLineSearch: 4 17:25:00 137.628239 0.034528 LBFGSLineSearch: 5 17:25:00 137.628105 0.023212 LBFGSLineSearch: 6 17:25:01 137.628082 0.017042 LBFGSLineSearch: 7 17:25:01 137.628063 0.016862 LBFGSLineSearch: 8 17:25:01 137.627981 0.020725 LBFGSLineSearch: 9 17:25:01 137.627941 0.012603 LBFGSLineSearch: 10 17:25:02 137.627920 0.014199 LBFGSLineSearch: 11 17:25:02 137.627907 0.008840 LBFGSLineSearch: 12 17:25:02 137.627891 0.009207 LBFGSLineSearch: 13 17:25:02 137.627880 0.014029 LBFGSLineSearch: 14 17:25:03 137.627845 0.006991 LBFGSLineSearch: 15 17:25:03 137.627833 0.002698 LBFGSLineSearch: 16 17:25:03 137.627833 0.000606 LBFGSLineSearch: 17 17:25:03 137.627833 0.000148 LBFGSLineSearch: 18 17:25:03 137.627833 0.000130 LBFGSLineSearch: 19 17:25:03 137.627833 0.000125 LBFGSLineSearch: 20 17:25:03 137.627833 0.000034 LBFGSLineSearch: 21 17:25:04 137.627833 0.000004 Minimization converged after 21 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:08 156.520360 1.889253 LBFGSLineSearch: 1 17:25:10 156.266943 0.391000 LBFGSLineSearch: 2 17:25:11 156.264275 0.196562 LBFGSLineSearch: 3 17:25:11 156.263421 0.054230 LBFGSLineSearch: 4 17:25:11 156.263270 0.035534 LBFGSLineSearch: 5 17:25:12 156.263134 0.021280 LBFGSLineSearch: 6 17:25:12 156.263103 0.018694 LBFGSLineSearch: 7 17:25:13 156.263080 0.022152 LBFGSLineSearch: 8 17:25:13 156.262958 0.019390 LBFGSLineSearch: 9 17:25:13 156.262919 0.011442 LBFGSLineSearch: 10 17:25:14 156.262903 0.011501 LBFGSLineSearch: 11 17:25:14 156.262889 0.010424 LBFGSLineSearch: 12 17:25:14 156.262865 0.009892 LBFGSLineSearch: 13 17:25:14 156.262850 0.012521 LBFGSLineSearch: 14 17:25:15 156.262828 0.016560 LBFGSLineSearch: 15 17:25:15 156.262807 0.001061 LBFGSLineSearch: 16 17:25:15 156.262807 0.000472 LBFGSLineSearch: 17 17:25:15 156.262807 0.000060 LBFGSLineSearch: 18 17:25:16 156.262807 0.000009 Minimization converged after 18 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:20 176.901598 2.063882 LBFGSLineSearch: 1 17:25:21 176.616800 0.415657 LBFGSLineSearch: 2 17:25:21 176.613353 0.077021 LBFGSLineSearch: 3 17:25:21 176.613084 0.061960 LBFGSLineSearch: 4 17:25:21 176.612840 0.037221 LBFGSLineSearch: 5 17:25:21 176.612773 0.022585 LBFGSLineSearch: 6 17:25:21 176.612757 0.019771 LBFGSLineSearch: 7 17:25:22 176.612704 0.040831 LBFGSLineSearch: 8 17:25:22 176.612532 0.012438 LBFGSLineSearch: 9 17:25:22 176.612517 0.013512 LBFGSLineSearch: 10 17:25:22 176.612502 0.012182 LBFGSLineSearch: 11 17:25:22 176.612471 0.012774 LBFGSLineSearch: 12 17:25:23 176.612440 0.017577 LBFGSLineSearch: 13 17:25:23 176.612408 0.009802 LBFGSLineSearch: 14 17:25:23 176.612402 0.002774 LBFGSLineSearch: 15 17:25:23 176.612401 0.000986 LBFGSLineSearch: 16 17:25:23 176.612401 0.000445 LBFGSLineSearch: 17 17:25:23 176.612401 0.000130 LBFGSLineSearch: 18 17:25:24 176.612401 0.000114 LBFGSLineSearch: 19 17:25:24 176.612401 0.000038 LBFGSLineSearch: 20 17:25:24 176.612401 0.000004 Minimization converged after 20 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:29 199.141780 2.252939 LBFGSLineSearch: 1 17:25:29 198.822300 0.442230 LBFGSLineSearch: 2 17:25:29 198.818652 0.079863 LBFGSLineSearch: 3 17:25:29 198.818373 0.071118 LBFGSLineSearch: 4 17:25:29 198.818121 0.038898 LBFGSLineSearch: 5 17:25:30 198.818054 0.025504 LBFGSLineSearch: 6 17:25:30 198.818033 0.021944 LBFGSLineSearch: 7 17:25:30 198.817968 0.045678 LBFGSLineSearch: 8 17:25:31 198.817752 0.016638 LBFGSLineSearch: 9 17:25:31 198.817738 0.014477 LBFGSLineSearch: 10 17:25:32 198.817701 0.017350 LBFGSLineSearch: 11 17:25:32 198.817640 0.026150 LBFGSLineSearch: 12 17:25:32 198.817607 0.008981 LBFGSLineSearch: 13 17:25:33 198.817601 0.003107 LBFGSLineSearch: 14 17:25:33 198.817600 0.000638 LBFGSLineSearch: 15 17:25:33 198.817600 0.000332 LBFGSLineSearch: 16 17:25:33 198.817600 0.000315 LBFGSLineSearch: 17 17:25:33 198.817600 0.000380 LBFGSLineSearch: 18 17:25:33 198.817600 0.000191 LBFGSLineSearch: 19 17:25:34 198.817600 0.000012 LBFGSLineSearch: 20 17:25:34 198.817600 0.000000 Minimization converged after 20 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:39 223.392239 2.457464 LBFGSLineSearch: 1 17:25:39 223.034475 0.470910 LBFGSLineSearch: 2 17:25:39 223.030607 0.084692 LBFGSLineSearch: 3 17:25:40 223.030319 0.082004 LBFGSLineSearch: 4 17:25:40 223.030055 0.041589 LBFGSLineSearch: 5 17:25:40 223.029987 0.029104 LBFGSLineSearch: 6 17:25:40 223.029958 0.024695 LBFGSLineSearch: 7 17:25:41 223.029883 0.049313 LBFGSLineSearch: 8 17:25:41 223.029636 0.033880 LBFGSLineSearch: 9 17:25:41 223.029595 0.018147 LBFGSLineSearch: 10 17:25:41 223.029572 0.016887 LBFGSLineSearch: 11 17:25:42 223.029524 0.025762 LBFGSLineSearch: 12 17:25:42 223.029440 0.013310 LBFGSLineSearch: 13 17:25:42 223.029430 0.007412 LBFGSLineSearch: 14 17:25:43 223.029425 0.000643 LBFGSLineSearch: 15 17:25:43 223.029425 0.000583 LBFGSLineSearch: 16 17:25:43 223.029425 0.000545 LBFGSLineSearch: 17 17:25:43 223.029425 0.000420 LBFGSLineSearch: 18 17:25:44 223.029425 0.000011 LBFGSLineSearch: 19 17:25:44 223.029425 0.000000 Minimization converged after 19 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:48 249.814933 2.678551 LBFGSLineSearch: 1 17:25:48 249.414962 0.501863 LBFGSLineSearch: 2 17:25:48 249.410851 0.094723 LBFGSLineSearch: 3 17:25:49 249.410555 0.094837 LBFGSLineSearch: 4 17:25:49 249.410270 0.045798 LBFGSLineSearch: 5 17:25:49 249.410202 0.033475 LBFGSLineSearch: 6 17:25:49 249.410163 0.028162 LBFGSLineSearch: 7 17:25:50 249.410077 0.050057 LBFGSLineSearch: 8 17:25:50 249.409813 0.056861 LBFGSLineSearch: 9 17:25:50 249.409714 0.020709 LBFGSLineSearch: 10 17:25:50 249.409687 0.018923 LBFGSLineSearch: 11 17:25:51 249.409653 0.022919 LBFGSLineSearch: 12 17:25:51 249.409568 0.024644 LBFGSLineSearch: 13 17:25:51 249.409524 0.022665 LBFGSLineSearch: 14 17:25:52 249.409492 0.003005 LBFGSLineSearch: 15 17:25:52 249.409492 0.001061 LBFGSLineSearch: 16 17:25:52 249.409492 0.000915 LBFGSLineSearch: 17 17:25:52 249.409492 0.000981 LBFGSLineSearch: 18 17:25:53 249.409492 0.000181 LBFGSLineSearch: 19 17:25:53 249.409492 0.000037 LBFGSLineSearch: 20 17:25:53 249.409492 0.000001 Minimization converged after 20 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:58 278.582999 2.917351 LBFGSLineSearch: 1 17:25:59 278.136552 0.535246 LBFGSLineSearch: 2 17:25:59 278.132172 0.106617 LBFGSLineSearch: 3 17:25:59 278.131866 0.109835 LBFGSLineSearch: 4 17:25:59 278.131552 0.052267 LBFGSLineSearch: 5 17:26:00 278.131483 0.040782 LBFGSLineSearch: 6 17:26:00 278.131428 0.032520 LBFGSLineSearch: 7 17:26:00 278.131330 0.051523 LBFGSLineSearch: 8 17:26:01 278.131049 0.077264 LBFGSLineSearch: 9 17:26:01 278.130875 0.021351 LBFGSLineSearch: 10 17:26:01 278.130830 0.023307 LBFGSLineSearch: 11 17:26:02 278.130796 0.021303 LBFGSLineSearch: 12 17:26:03 278.130725 0.028679 LBFGSLineSearch: 13 17:26:04 278.130645 0.033598 LBFGSLineSearch: 14 17:26:05 278.130581 0.031650 LBFGSLineSearch: 15 17:26:06 278.130562 0.013387 LBFGSLineSearch: 16 17:26:07 278.130559 0.001585 LBFGSLineSearch: 17 17:26:08 278.130558 0.001244 LBFGSLineSearch: 18 17:26:08 278.130558 0.001551 LBFGSLineSearch: 19 17:26:09 278.130558 0.000502 LBFGSLineSearch: 20 17:26:09 278.130558 0.000002 Minimization converged after 20 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:14 309.881290 3.175073 LBFGSLineSearch: 1 17:26:14 309.383723 0.571227 LBFGSLineSearch: 2 17:26:14 309.379038 0.120779 LBFGSLineSearch: 3 17:26:15 309.378719 0.127176 LBFGSLineSearch: 4 17:26:15 309.378364 0.061956 LBFGSLineSearch: 5 17:26:16 309.378273 0.047393 LBFGSLineSearch: 6 17:26:16 309.378212 0.038034 LBFGSLineSearch: 7 17:26:17 309.378042 0.056661 LBFGSLineSearch: 8 17:26:17 309.377723 0.068681 LBFGSLineSearch: 9 17:26:17 309.377491 0.029472 LBFGSLineSearch: 10 17:26:18 309.377419 0.028794 LBFGSLineSearch: 11 17:26:18 309.377368 0.022759 LBFGSLineSearch: 12 17:26:18 309.377275 0.035117 LBFGSLineSearch: 13 17:26:18 309.377180 0.036313 LBFGSLineSearch: 14 17:26:19 309.377060 0.034929 LBFGSLineSearch: 15 17:26:19 309.377036 0.011200 LBFGSLineSearch: 16 17:26:19 309.377033 0.002669 LBFGSLineSearch: 17 17:26:20 309.377032 0.002385 LBFGSLineSearch: 18 17:26:20 309.377031 0.002139 LBFGSLineSearch: 19 17:26:21 309.377031 0.000599 LBFGSLineSearch: 20 17:26:21 309.377031 0.000233 LBFGSLineSearch: 21 17:26:21 309.377031 0.000001 Minimization converged after 21 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:26 343.906796 3.452977 LBFGSLineSearch: 1 17:26:27 343.353063 0.609954 LBFGSLineSearch: 2 17:26:28 343.348031 0.138152 LBFGSLineSearch: 3 17:26:28 343.347684 0.147075 LBFGSLineSearch: 4 17:26:29 343.347272 0.076825 LBFGSLineSearch: 5 17:26:29 343.347164 0.056422 LBFGSLineSearch: 6 17:26:29 343.347075 0.045141 LBFGSLineSearch: 7 17:26:29 343.346836 0.066232 LBFGSLineSearch: 8 17:26:30 343.346458 0.088173 LBFGSLineSearch: 9 17:26:30 343.346108 0.031586 LBFGSLineSearch: 10 17:26:30 343.345968 0.034815 LBFGSLineSearch: 11 17:26:30 343.345890 0.029692 LBFGSLineSearch: 12 17:26:30 343.345769 0.041131 LBFGSLineSearch: 13 17:26:31 343.345640 0.040194 LBFGSLineSearch: 14 17:26:31 343.345411 0.048825 LBFGSLineSearch: 15 17:26:31 343.345363 0.018037 LBFGSLineSearch: 16 17:26:31 343.345354 0.004587 LBFGSLineSearch: 17 17:26:31 343.345351 0.006540 LBFGSLineSearch: 18 17:26:32 343.345349 0.002883 LBFGSLineSearch: 19 17:26:32 343.345349 0.000084 LBFGSLineSearch: 20 17:26:32 343.345349 0.000002 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:37 380.868821 3.752349 LBFGSLineSearch: 1 17:26:37 380.253441 0.651425 LBFGSLineSearch: 2 17:26:37 380.248002 0.160137 LBFGSLineSearch: 3 17:26:37 380.247595 0.169696 LBFGSLineSearch: 4 17:26:38 380.247110 0.100547 LBFGSLineSearch: 5 17:26:38 380.246968 0.068855 LBFGSLineSearch: 6 17:26:38 380.246827 0.054524 LBFGSLineSearch: 7 17:26:38 380.246467 0.077372 LBFGSLineSearch: 8 17:26:38 380.245954 0.117871 LBFGSLineSearch: 9 17:26:38 380.245432 0.049906 LBFGSLineSearch: 10 17:26:39 380.245168 0.043564 LBFGSLineSearch: 11 17:26:39 380.245039 0.044886 LBFGSLineSearch: 12 17:26:39 380.244823 0.049212 LBFGSLineSearch: 13 17:26:39 380.244591 0.048863 LBFGSLineSearch: 14 17:26:39 380.244122 0.071304 LBFGSLineSearch: 15 17:26:39 380.244009 0.028240 LBFGSLineSearch: 16 17:26:40 380.243986 0.008388 LBFGSLineSearch: 17 17:26:40 380.243975 0.011741 LBFGSLineSearch: 18 17:26:40 380.243969 0.005551 LBFGSLineSearch: 19 17:26:40 380.243967 0.000053 LBFGSLineSearch: 20 17:26:40 380.243967 0.000003 Minimization converged after 20 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:45 420.988201 4.074426 LBFGSLineSearch: 1 17:26:45 420.305226 0.695201 LBFGSLineSearch: 2 17:26:45 420.299296 0.189484 LBFGSLineSearch: 3 17:26:46 420.298748 0.194632 LBFGSLineSearch: 4 17:26:46 420.298179 0.141331 LBFGSLineSearch: 5 17:26:46 420.297953 0.087364 LBFGSLineSearch: 6 17:26:46 420.297706 0.067392 LBFGSLineSearch: 7 17:26:46 420.297133 0.114883 LBFGSLineSearch: 8 17:26:47 420.296335 0.116487 LBFGSLineSearch: 9 17:26:47 420.295373 0.072305 LBFGSLineSearch: 10 17:26:47 420.294959 0.057362 LBFGSLineSearch: 11 17:26:47 420.294740 0.061378 LBFGSLineSearch: 12 17:26:47 420.294351 0.065583 LBFGSLineSearch: 13 17:26:48 420.293547 0.090594 LBFGSLineSearch: 14 17:26:48 420.292829 0.122717 LBFGSLineSearch: 15 17:26:49 420.291466 0.049424 LBFGSLineSearch: 16 17:26:49 420.291375 0.023470 LBFGSLineSearch: 17 17:26:50 420.291346 0.020820 LBFGSLineSearch: 18 17:26:50 420.291219 0.014419 LBFGSLineSearch: 19 17:26:50 420.291216 0.001129 LBFGSLineSearch: 20 17:26:50 420.291216 0.000094 LBFGSLineSearch: 21 17:26:51 420.291216 0.000067 LBFGSLineSearch: 22 17:26:51 420.291216 0.000014 LBFGSLineSearch: 23 17:26:51 420.291216 0.000000 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:56 464.488489 4.419727 LBFGSLineSearch: 1 17:26:56 463.881882 2.029974 LBFGSLineSearch: 2 17:26:56 463.745593 1.299821 LBFGSLineSearch: 3 17:26:57 463.725845 0.301936 LBFGSLineSearch: 4 17:26:57 463.723796 0.215864 LBFGSLineSearch: 5 17:26:57 463.722938 0.118319 LBFGSLineSearch: 6 17:26:58 463.722692 0.136133 LBFGSLineSearch: 7 17:26:58 463.721041 0.171135 LBFGSLineSearch: 8 17:26:58 463.719885 0.165746 LBFGSLineSearch: 9 17:26:59 463.716594 0.172529 LBFGSLineSearch: 10 17:26:59 463.715531 0.123666 LBFGSLineSearch: 11 17:27:00 463.714386 0.186354 LBFGSLineSearch: 12 17:27:00 463.709411 0.278327 LBFGSLineSearch: 13 17:27:01 462.150161 11.307322 LBFGSLineSearch: 14 17:27:02 462.149359 11.468062 LBFGSLineSearch: 15 17:27:03 459.701426 6.648829 LBFGSLineSearch: 16 17:27:03 458.113599 4.163875 LBFGSLineSearch: 17 17:27:03 457.731631 2.184302 LBFGSLineSearch: 18 17:27:03 457.167831 3.732172 LBFGSLineSearch: 19 17:27:03 457.030264 1.228203 LBFGSLineSearch: 20 17:27:04 457.005366 0.469899 LBFGSLineSearch: 21 17:27:04 456.995575 0.492073 LBFGSLineSearch: 22 17:27:04 456.986770 0.408779 LBFGSLineSearch: 23 17:27:04 456.975555 0.362991 LBFGSLineSearch: 24 17:27:05 456.968136 0.340412 LBFGSLineSearch: 25 17:27:05 456.960462 0.604804 LBFGSLineSearch: 26 17:27:05 456.951564 0.241942 LBFGSLineSearch: 27 17:27:06 456.945682 0.160941 LBFGSLineSearch: 28 17:27:06 456.944830 0.133733 LBFGSLineSearch: 29 17:27:06 456.944133 0.070021 LBFGSLineSearch: 30 17:27:06 456.943880 0.032886 LBFGSLineSearch: 31 17:27:06 456.943841 0.016390 LBFGSLineSearch: 32 17:27:07 456.943835 0.006241 LBFGSLineSearch: 33 17:27:07 456.943834 0.002642 LBFGSLineSearch: 34 17:27:07 456.943833 0.000541 LBFGSLineSearch: 35 17:27:07 456.943833 0.000129 LBFGSLineSearch: 36 17:27:08 456.943833 0.000007 Minimization converged after 36 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:12 503.871434 4.692760 LBFGSLineSearch: 1 17:27:13 503.199207 2.007783 LBFGSLineSearch: 2 17:27:13 503.053869 0.232137 LBFGSLineSearch: 3 17:27:13 503.052701 0.065120 LBFGSLineSearch: 4 17:27:14 503.052574 0.052601 LBFGSLineSearch: 5 17:27:14 503.052450 0.081928 LBFGSLineSearch: 6 17:27:15 503.052178 0.078255 LBFGSLineSearch: 7 17:27:15 503.051955 0.064341 LBFGSLineSearch: 8 17:27:17 503.051798 0.032093 LBFGSLineSearch: 9 17:27:18 503.051773 0.015683 LBFGSLineSearch: 10 17:27:18 503.051766 0.014390 LBFGSLineSearch: 11 17:27:19 503.051753 0.020901 LBFGSLineSearch: 12 17:27:19 503.051739 0.016020 LBFGSLineSearch: 13 17:27:20 503.051724 0.005958 LBFGSLineSearch: 14 17:27:20 503.051721 0.005859 LBFGSLineSearch: 15 17:27:21 503.051718 0.006241 LBFGSLineSearch: 16 17:27:21 503.051712 0.002373 LBFGSLineSearch: 17 17:27:22 503.051712 0.000956 LBFGSLineSearch: 18 17:27:22 503.051711 0.000134 LBFGSLineSearch: 19 17:27:22 503.051711 0.000013 LBFGSLineSearch: 20 17:27:22 503.051711 0.000000 Minimization converged after 20 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:27 553.925138 5.087343 LBFGSLineSearch: 1 17:27:28 553.155485 1.991316 LBFGSLineSearch: 2 17:27:28 553.021968 0.287425 LBFGSLineSearch: 3 17:27:28 553.020279 0.086453 LBFGSLineSearch: 4 17:27:28 553.020112 0.061245 LBFGSLineSearch: 5 17:27:29 553.019985 0.087225 LBFGSLineSearch: 6 17:27:29 553.019716 0.088047 LBFGSLineSearch: 7 17:27:29 553.019477 0.074058 LBFGSLineSearch: 8 17:27:29 553.019224 0.036787 LBFGSLineSearch: 9 17:27:30 553.019191 0.018671 LBFGSLineSearch: 10 17:27:30 553.019181 0.017424 LBFGSLineSearch: 11 17:27:30 553.019170 0.011301 LBFGSLineSearch: 12 17:27:30 553.019156 0.012131 LBFGSLineSearch: 13 17:27:31 553.019133 0.020279 LBFGSLineSearch: 14 17:27:31 553.019126 0.007043 LBFGSLineSearch: 15 17:27:31 553.019124 0.006122 LBFGSLineSearch: 16 17:27:31 553.019120 0.011692 LBFGSLineSearch: 17 17:27:31 553.019114 0.002198 LBFGSLineSearch: 18 17:27:31 553.019114 0.000890 LBFGSLineSearch: 19 17:27:31 553.019114 0.000009 Minimization converged after 19 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:36 608.132313 5.511323 LBFGSLineSearch: 1 17:27:37 607.254341 1.944896 LBFGSLineSearch: 2 17:27:37 607.135794 0.378974 LBFGSLineSearch: 3 17:27:37 607.133364 0.115657 LBFGSLineSearch: 4 17:27:38 607.133124 0.078519 LBFGSLineSearch: 5 17:27:38 607.132957 0.077334 LBFGSLineSearch: 6 17:27:38 607.132747 0.095436 LBFGSLineSearch: 7 17:27:38 607.132398 0.089576 LBFGSLineSearch: 8 17:27:38 607.132109 0.062014 LBFGSLineSearch: 9 17:27:39 607.132052 0.028815 LBFGSLineSearch: 10 17:27:39 607.132032 0.018515 LBFGSLineSearch: 11 17:27:39 607.132023 0.014926 LBFGSLineSearch: 12 17:27:40 607.131996 0.022765 LBFGSLineSearch: 13 17:27:41 607.131971 0.008654 LBFGSLineSearch: 14 17:27:42 607.131965 0.007851 LBFGSLineSearch: 15 17:27:42 607.131959 0.010538 LBFGSLineSearch: 16 17:27:42 607.131954 0.004224 LBFGSLineSearch: 17 17:27:43 607.131954 0.000453 LBFGSLineSearch: 18 17:27:43 607.131954 0.000002 Minimization converged after 18 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:48 666.797276 5.966532 LBFGSLineSearch: 1 17:27:49 665.799656 1.862508 LBFGSLineSearch: 2 17:27:49 665.699115 0.496961 LBFGSLineSearch: 3 17:27:49 665.695655 0.154144 LBFGSLineSearch: 4 17:27:49 665.695286 0.101682 LBFGSLineSearch: 5 17:27:49 665.695067 0.076082 LBFGSLineSearch: 6 17:27:49 665.694847 0.105062 LBFGSLineSearch: 7 17:27:50 665.694527 0.108433 LBFGSLineSearch: 8 17:27:50 665.694073 0.049417 LBFGSLineSearch: 9 17:27:50 665.694013 0.031344 LBFGSLineSearch: 10 17:27:50 665.693990 0.024968 LBFGSLineSearch: 11 17:27:51 665.693978 0.020367 LBFGSLineSearch: 12 17:27:51 665.693961 0.012741 LBFGSLineSearch: 13 17:27:52 665.693920 0.021066 LBFGSLineSearch: 14 17:27:53 665.693909 0.007641 LBFGSLineSearch: 15 17:27:54 665.693904 0.008100 LBFGSLineSearch: 16 17:27:54 665.693899 0.010379 LBFGSLineSearch: 17 17:27:54 665.693892 0.002289 LBFGSLineSearch: 18 17:27:55 665.693892 0.000643 LBFGSLineSearch: 19 17:27:55 665.693892 0.000268 LBFGSLineSearch: 20 17:27:55 665.693892 0.000002 Minimization converged after 20 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:01 730.242919 6.454904 LBFGSLineSearch: 1 17:28:01 729.114102 1.737300 LBFGSLineSearch: 2 17:28:02 729.034263 0.647999 LBFGSLineSearch: 3 17:28:02 729.029420 0.203988 LBFGSLineSearch: 4 17:28:03 729.028814 0.133699 LBFGSLineSearch: 5 17:28:03 729.028495 0.077263 LBFGSLineSearch: 6 17:28:03 729.028269 0.118017 LBFGSLineSearch: 7 17:28:04 729.027989 0.122179 LBFGSLineSearch: 8 17:28:04 729.027412 0.056087 LBFGSLineSearch: 9 17:28:04 729.027278 0.051653 LBFGSLineSearch: 10 17:28:04 729.027233 0.022377 LBFGSLineSearch: 11 17:28:05 729.027225 0.019880 LBFGSLineSearch: 12 17:28:05 729.027194 0.020536 LBFGSLineSearch: 13 17:28:06 729.027156 0.015201 LBFGSLineSearch: 14 17:28:06 729.027140 0.009881 LBFGSLineSearch: 15 17:28:07 729.027129 0.005586 LBFGSLineSearch: 16 17:28:08 729.027124 0.002542 LBFGSLineSearch: 17 17:28:08 729.027124 0.000446 LBFGSLineSearch: 18 17:28:08 729.027124 0.000014 LBFGSLineSearch: 19 17:28:09 729.027124 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:14 798.811506 6.978438 LBFGSLineSearch: 1 17:28:14 797.540024 1.561484 LBFGSLineSearch: 2 17:28:14 797.482955 0.839986 LBFGSLineSearch: 3 17:28:15 797.476348 0.268957 LBFGSLineSearch: 4 17:28:15 797.475290 0.177675 LBFGSLineSearch: 5 17:28:15 797.474772 0.102332 LBFGSLineSearch: 6 17:28:17 797.474569 0.136196 LBFGSLineSearch: 7 17:28:19 797.474286 0.131929 LBFGSLineSearch: 8 17:28:20 797.473761 0.071552 LBFGSLineSearch: 9 17:28:20 797.473457 0.109698 LBFGSLineSearch: 10 17:28:20 797.473314 0.032717 LBFGSLineSearch: 11 17:28:21 797.473296 0.024210 LBFGSLineSearch: 12 17:28:21 797.473278 0.019609 LBFGSLineSearch: 13 17:28:21 797.473244 0.024816 LBFGSLineSearch: 14 17:28:21 797.473204 0.013118 LBFGSLineSearch: 15 17:28:21 797.473197 0.009732 LBFGSLineSearch: 16 17:28:22 797.473187 0.007849 LBFGSLineSearch: 17 17:28:22 797.473182 0.000074 LBFGSLineSearch: 18 17:28:22 797.473182 0.000001 Minimization converged after 18 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:27 872.865496 7.539232 LBFGSLineSearch: 1 17:28:28 871.440371 1.326256 LBFGSLineSearch: 2 17:28:29 871.407122 1.082280 LBFGSLineSearch: 3 17:28:29 871.398415 0.358355 LBFGSLineSearch: 4 17:28:30 871.396464 0.233002 LBFGSLineSearch: 5 17:28:30 871.395577 0.133163 LBFGSLineSearch: 6 17:28:30 871.395253 0.111242 LBFGSLineSearch: 7 17:28:31 871.395036 0.131590 LBFGSLineSearch: 8 17:28:31 871.394152 0.122236 LBFGSLineSearch: 9 17:28:31 871.393919 0.051013 LBFGSLineSearch: 10 17:28:31 871.393865 0.023986 LBFGSLineSearch: 11 17:28:31 871.393856 0.022652 LBFGSLineSearch: 12 17:28:31 871.393814 0.018882 LBFGSLineSearch: 13 17:28:31 871.393768 0.010185 LBFGSLineSearch: 14 17:28:32 871.393761 0.013306 LBFGSLineSearch: 15 17:28:32 871.393746 0.008468 LBFGSLineSearch: 16 17:28:32 871.393746 0.000182 LBFGSLineSearch: 17 17:28:32 871.393746 0.000001 Minimization converged after 17 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:37 952.788351 8.139461 LBFGSLineSearch: 1 17:28:37 951.199632 1.021736 LBFGSLineSearch: 2 17:28:37 951.180853 0.656709 LBFGSLineSearch: 3 17:28:38 951.174663 0.362251 LBFGSLineSearch: 4 17:28:38 951.173704 0.137332 LBFGSLineSearch: 5 17:28:39 951.173368 0.107937 LBFGSLineSearch: 6 17:28:39 951.173042 0.154297 LBFGSLineSearch: 7 17:28:39 951.172131 0.133887 LBFGSLineSearch: 8 17:28:40 951.171743 0.128859 LBFGSLineSearch: 9 17:28:40 951.171610 0.043060 LBFGSLineSearch: 10 17:28:40 951.171550 0.031023 LBFGSLineSearch: 11 17:28:40 951.171536 0.021022 LBFGSLineSearch: 12 17:28:40 951.171517 0.016426 LBFGSLineSearch: 13 17:28:41 951.171463 0.008581 LBFGSLineSearch: 14 17:28:41 951.171457 0.009299 LBFGSLineSearch: 15 17:28:41 951.171450 0.008045 LBFGSLineSearch: 16 17:28:41 951.171440 0.002544 LBFGSLineSearch: 17 17:28:41 951.171440 0.000184 LBFGSLineSearch: 18 17:28:42 951.171440 0.000000 Minimization converged after 18 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:46 1038.985322 8.781389 LBFGSLineSearch: 1 17:28:47 1037.224777 0.637111 LBFGSLineSearch: 2 17:28:47 1037.217428 0.439761 LBFGSLineSearch: 3 17:28:48 1037.214113 0.325472 LBFGSLineSearch: 4 17:28:48 1037.213133 0.161547 LBFGSLineSearch: 5 17:28:49 1037.212693 0.131179 LBFGSLineSearch: 6 17:28:49 1037.212401 0.200340 LBFGSLineSearch: 7 17:28:49 1037.211420 0.135316 LBFGSLineSearch: 8 17:28:49 1037.210836 0.081291 LBFGSLineSearch: 9 17:28:50 1037.210740 0.036565 LBFGSLineSearch: 10 17:28:50 1037.210691 0.019021 LBFGSLineSearch: 11 17:28:50 1037.210684 0.031521 LBFGSLineSearch: 12 17:28:50 1037.210658 0.021893 LBFGSLineSearch: 13 17:28:51 1037.210637 0.012259 LBFGSLineSearch: 14 17:28:52 1037.210626 0.006930 LBFGSLineSearch: 15 17:28:52 1037.210621 0.007686 LBFGSLineSearch: 16 17:28:52 1037.210612 0.001565 LBFGSLineSearch: 17 17:28:53 1037.210612 0.000227 LBFGSLineSearch: 18 17:28:53 1037.210612 0.000001 Minimization converged after 18 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:58 1131.884172 9.467356 LBFGSLineSearch: 1 17:28:59 1129.946175 0.574319 LBFGSLineSearch: 2 17:28:59 1129.942325 0.379340 LBFGSLineSearch: 3 17:28:59 1129.941264 0.172412 LBFGSLineSearch: 4 17:28:59 1129.940798 0.159625 LBFGSLineSearch: 5 17:29:00 1129.940217 0.150917 LBFGSLineSearch: 6 17:29:00 1129.939707 0.170824 LBFGSLineSearch: 7 17:29:00 1129.938717 0.180462 LBFGSLineSearch: 8 17:29:00 1129.938254 0.083861 LBFGSLineSearch: 9 17:29:01 1129.938147 0.029736 LBFGSLineSearch: 10 17:29:01 1129.938109 0.032826 LBFGSLineSearch: 11 17:29:02 1129.938099 0.020584 LBFGSLineSearch: 12 17:29:02 1129.938083 0.013416 LBFGSLineSearch: 13 17:29:02 1129.938061 0.015146 LBFGSLineSearch: 14 17:29:02 1129.938055 0.005712 LBFGSLineSearch: 15 17:29:02 1129.938052 0.005038 LBFGSLineSearch: 16 17:29:03 1129.938050 0.009081 LBFGSLineSearch: 17 17:29:03 1129.938046 0.000302 LBFGSLineSearch: 18 17:29:03 1129.938046 0.000001 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:08 1231.935823 10.199778 LBFGSLineSearch: 1 17:29:08 1229.818463 0.684104 LBFGSLineSearch: 2 17:29:08 1229.811435 0.471487 LBFGSLineSearch: 3 17:29:09 1229.808155 0.361848 LBFGSLineSearch: 4 17:29:09 1229.806798 0.214592 LBFGSLineSearch: 5 17:29:09 1229.806111 0.187190 LBFGSLineSearch: 6 17:29:10 1229.805770 0.193556 LBFGSLineSearch: 7 17:29:10 1229.804745 0.132132 LBFGSLineSearch: 8 17:29:10 1229.803927 0.111465 LBFGSLineSearch: 9 17:29:10 1229.803715 0.044373 LBFGSLineSearch: 10 17:29:10 1229.803668 0.040011 LBFGSLineSearch: 11 17:29:11 1229.803652 0.018925 LBFGSLineSearch: 12 17:29:11 1229.803635 0.014705 LBFGSLineSearch: 13 17:29:11 1229.803621 0.008382 LBFGSLineSearch: 14 17:29:11 1229.803615 0.003007 LBFGSLineSearch: 15 17:29:12 1229.803614 0.003077 LBFGSLineSearch: 16 17:29:12 1229.803613 0.000607 LBFGSLineSearch: 17 17:29:12 1229.803613 0.000036 LBFGSLineSearch: 18 17:29:12 1229.803613 0.000000 Minimization converged after 18 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:18 1339.614948 10.981134 LBFGSLineSearch: 1 17:29:18 1337.321410 1.376253 LBFGSLineSearch: 2 17:29:18 1337.300033 0.976978 LBFGSLineSearch: 3 17:29:19 1337.287925 0.711347 LBFGSLineSearch: 4 17:29:19 1337.284661 0.317661 LBFGSLineSearch: 5 17:29:19 1337.283700 0.186533 LBFGSLineSearch: 6 17:29:19 1337.283376 0.184417 LBFGSLineSearch: 7 17:29:19 1337.282379 0.141747 LBFGSLineSearch: 8 17:29:20 1337.281544 0.247503 LBFGSLineSearch: 9 17:29:20 1337.281085 0.119344 LBFGSLineSearch: 10 17:29:20 1337.280960 0.056838 LBFGSLineSearch: 11 17:29:20 1337.280918 0.023564 LBFGSLineSearch: 12 17:29:20 1337.280902 0.015929 LBFGSLineSearch: 13 17:29:21 1337.280882 0.012610 LBFGSLineSearch: 14 17:29:21 1337.280876 0.001051 LBFGSLineSearch: 15 17:29:21 1337.280876 0.000110 LBFGSLineSearch: 16 17:29:21 1337.280876 0.000115 LBFGSLineSearch: 17 17:29:21 1337.280876 0.000011 LBFGSLineSearch: 18 17:29:21 1337.280876 0.000000 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:26 1455.420530 11.813965 Failed to get energy or crystal structure at pressure 6501.994708861737 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:27 -47.847152 0.000285 LBFGSLineSearch: 1 17:29:27 -47.847152 0.000094 LBFGSLineSearch: 2 17:29:28 -47.847152 0.000085 LBFGSLineSearch: 3 17:29:29 -47.847152 0.000018 LBFGSLineSearch: 4 17:29:29 -47.847152 0.000005 Minimization converged after 4 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:34 -48.167108 0.032001 LBFGSLineSearch: 1 17:29:34 -48.167416 0.018182 LBFGSLineSearch: 2 17:29:35 -48.167486 0.008821 LBFGSLineSearch: 3 17:29:35 -48.167498 0.002905 LBFGSLineSearch: 4 17:29:35 -48.167500 0.002207 LBFGSLineSearch: 5 17:29:36 -48.167501 0.001596 LBFGSLineSearch: 6 17:29:36 -48.167502 0.001374 LBFGSLineSearch: 7 17:29:36 -48.167502 0.001218 LBFGSLineSearch: 8 17:29:36 -48.167502 0.001196 LBFGSLineSearch: 9 17:29:36 -48.167503 0.000944 LBFGSLineSearch: 10 17:29:36 -48.167503 0.000558 LBFGSLineSearch: 11 17:29:37 -48.167503 0.000344 LBFGSLineSearch: 12 17:29:37 -48.167503 0.000467 LBFGSLineSearch: 13 17:29:37 -48.167503 0.000213 LBFGSLineSearch: 14 17:29:37 -48.167503 0.000165 LBFGSLineSearch: 15 17:29:37 -48.167503 0.000206 LBFGSLineSearch: 16 17:29:37 -48.167503 0.000103 LBFGSLineSearch: 17 17:29:37 -48.167503 0.000108 LBFGSLineSearch: 18 17:29:37 -48.167503 0.000095 LBFGSLineSearch: 19 17:29:37 -48.167503 0.000027 LBFGSLineSearch: 20 17:29:38 -48.167503 0.000036 LBFGSLineSearch: 21 17:29:38 -48.167503 0.000002 Minimization converged after 21 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:42 -48.488253 0.032076 LBFGSLineSearch: 1 17:29:43 -48.488564 0.018400 LBFGSLineSearch: 2 17:29:43 -48.488637 0.009023 LBFGSLineSearch: 3 17:29:43 -48.488650 0.002986 LBFGSLineSearch: 4 17:29:43 -48.488652 0.002502 LBFGSLineSearch: 5 17:29:43 -48.488653 0.001617 LBFGSLineSearch: 6 17:29:43 -48.488654 0.001272 LBFGSLineSearch: 7 17:29:44 -48.488655 0.000916 LBFGSLineSearch: 8 17:29:44 -48.488655 0.000845 LBFGSLineSearch: 9 17:29:44 -48.488655 0.000588 LBFGSLineSearch: 10 17:29:45 -48.488656 0.000396 LBFGSLineSearch: 11 17:29:46 -48.488656 0.000229 LBFGSLineSearch: 12 17:29:46 -48.488656 0.000175 LBFGSLineSearch: 13 17:29:47 -48.488656 0.000152 LBFGSLineSearch: 14 17:29:47 -48.488656 0.000175 LBFGSLineSearch: 15 17:29:47 -48.488656 0.000225 LBFGSLineSearch: 16 17:29:47 -48.488656 0.000121 LBFGSLineSearch: 17 17:29:47 -48.488656 0.000036 LBFGSLineSearch: 18 17:29:48 -48.488656 0.000035 LBFGSLineSearch: 19 17:29:48 -48.488656 0.000002 Minimization converged after 19 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:52 -48.810213 0.032157 LBFGSLineSearch: 1 17:29:53 -48.810529 0.018624 LBFGSLineSearch: 2 17:29:53 -48.810605 0.009233 LBFGSLineSearch: 3 17:29:53 -48.810619 0.003074 LBFGSLineSearch: 4 17:29:54 -48.810620 0.002803 LBFGSLineSearch: 5 17:29:54 -48.810621 0.001648 LBFGSLineSearch: 6 17:29:54 -48.810623 0.001291 LBFGSLineSearch: 7 17:29:54 -48.810624 0.000955 LBFGSLineSearch: 8 17:29:55 -48.810624 0.000910 LBFGSLineSearch: 9 17:29:55 -48.810624 0.000736 LBFGSLineSearch: 10 17:29:56 -48.810624 0.000401 LBFGSLineSearch: 11 17:29:56 -48.810624 0.000202 LBFGSLineSearch: 12 17:29:57 -48.810624 0.000226 LBFGSLineSearch: 13 17:29:57 -48.810624 0.000176 LBFGSLineSearch: 14 17:29:57 -48.810624 0.000129 LBFGSLineSearch: 15 17:29:58 -48.810624 0.000137 LBFGSLineSearch: 16 17:29:58 -48.810624 0.000129 LBFGSLineSearch: 17 17:29:58 -48.810624 0.000133 LBFGSLineSearch: 18 17:29:58 -48.810624 0.000144 LBFGSLineSearch: 19 17:29:58 -48.810624 0.000040 LBFGSLineSearch: 20 17:29:58 -48.810624 0.000028 LBFGSLineSearch: 21 17:29:58 -48.810624 0.000002 Minimization converged after 21 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:03 -49.133007 0.032240 LBFGSLineSearch: 1 17:30:04 -49.133327 0.018856 LBFGSLineSearch: 2 17:30:04 -49.133405 0.009455 LBFGSLineSearch: 3 17:30:05 -49.133420 0.003166 LBFGSLineSearch: 4 17:30:05 -49.133422 0.003101 LBFGSLineSearch: 5 17:30:06 -49.133423 0.001686 LBFGSLineSearch: 6 17:30:06 -49.133424 0.001327 LBFGSLineSearch: 7 17:30:06 -49.133425 0.000994 LBFGSLineSearch: 8 17:30:06 -49.133426 0.000963 LBFGSLineSearch: 9 17:30:06 -49.133426 0.000658 LBFGSLineSearch: 10 17:30:07 -49.133426 0.000405 LBFGSLineSearch: 11 17:30:07 -49.133426 0.000197 LBFGSLineSearch: 12 17:30:07 -49.133426 0.000204 LBFGSLineSearch: 13 17:30:07 -49.133426 0.000184 LBFGSLineSearch: 14 17:30:07 -49.133426 0.000153 LBFGSLineSearch: 15 17:30:08 -49.133426 0.000141 LBFGSLineSearch: 16 17:30:08 -49.133426 0.000182 LBFGSLineSearch: 17 17:30:08 -49.133426 0.000129 LBFGSLineSearch: 18 17:30:09 -49.133426 0.000120 LBFGSLineSearch: 19 17:30:09 -49.133426 0.000170 LBFGSLineSearch: 20 17:30:09 -49.133426 0.000051 LBFGSLineSearch: 21 17:30:10 -49.133426 0.000035 LBFGSLineSearch: 22 17:30:10 -49.133426 0.000002 Minimization converged after 22 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:14 -49.456650 0.032324 LBFGSLineSearch: 1 17:30:15 -49.456975 0.019096 LBFGSLineSearch: 2 17:30:15 -49.457056 0.009688 LBFGSLineSearch: 3 17:30:15 -49.457072 0.003264 LBFGSLineSearch: 4 17:30:16 -49.457074 0.003396 LBFGSLineSearch: 5 17:30:16 -49.457075 0.001732 LBFGSLineSearch: 6 17:30:16 -49.457077 0.001368 LBFGSLineSearch: 7 17:30:16 -49.457077 0.001033 LBFGSLineSearch: 8 17:30:17 -49.457078 0.001003 LBFGSLineSearch: 9 17:30:17 -49.457078 0.000774 LBFGSLineSearch: 10 17:30:17 -49.457078 0.000616 LBFGSLineSearch: 11 17:30:18 -49.457078 0.000424 LBFGSLineSearch: 12 17:30:18 -49.457078 0.000195 LBFGSLineSearch: 13 17:30:18 -49.457078 0.000142 LBFGSLineSearch: 14 17:30:19 -49.457078 0.000187 LBFGSLineSearch: 15 17:30:19 -49.457078 0.000133 LBFGSLineSearch: 16 17:30:19 -49.457078 0.000045 LBFGSLineSearch: 17 17:30:19 -49.457078 0.000039 LBFGSLineSearch: 18 17:30:19 -49.457078 0.000003 Minimization converged after 18 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:24 -49.781162 0.032410 LBFGSLineSearch: 1 17:30:24 -49.781491 0.019343 LBFGSLineSearch: 2 17:30:24 -49.781576 0.009935 LBFGSLineSearch: 3 17:30:25 -49.781592 0.003369 LBFGSLineSearch: 4 17:30:25 -49.781594 0.003691 LBFGSLineSearch: 5 17:30:26 -49.781596 0.001786 LBFGSLineSearch: 6 17:30:26 -49.781597 0.001410 LBFGSLineSearch: 7 17:30:27 -49.781598 0.001072 LBFGSLineSearch: 8 17:30:27 -49.781599 0.000873 LBFGSLineSearch: 9 17:30:27 -49.781599 0.000821 LBFGSLineSearch: 10 17:30:28 -49.781599 0.000691 LBFGSLineSearch: 11 17:30:28 -49.781599 0.000430 LBFGSLineSearch: 12 17:30:28 -49.781599 0.000311 LBFGSLineSearch: 13 17:30:28 -49.781599 0.000189 LBFGSLineSearch: 14 17:30:28 -49.781599 0.000161 LBFGSLineSearch: 15 17:30:28 -49.781599 0.000133 LBFGSLineSearch: 16 17:30:29 -49.781599 0.000145 LBFGSLineSearch: 17 17:30:29 -49.781599 0.000119 LBFGSLineSearch: 18 17:30:29 -49.781599 0.000133 LBFGSLineSearch: 19 17:30:29 -49.781599 0.000036 LBFGSLineSearch: 20 17:30:29 -49.781599 0.000040 LBFGSLineSearch: 21 17:30:30 -49.781599 0.000003 Minimization converged after 21 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:35 -50.106561 0.032498 LBFGSLineSearch: 1 17:30:36 -50.106894 0.019601 LBFGSLineSearch: 2 17:30:37 -50.106983 0.009973 LBFGSLineSearch: 3 17:30:37 -50.107000 0.003861 LBFGSLineSearch: 4 17:30:38 -50.107002 0.004705 LBFGSLineSearch: 5 17:30:38 -50.107004 0.001827 LBFGSLineSearch: 6 17:30:38 -50.107006 0.001544 LBFGSLineSearch: 7 17:30:38 -50.107006 0.001388 LBFGSLineSearch: 8 17:30:38 -50.107007 0.001151 LBFGSLineSearch: 9 17:30:39 -50.107008 0.000758 LBFGSLineSearch: 10 17:30:39 -50.107008 0.000412 LBFGSLineSearch: 11 17:30:39 -50.107008 0.000399 LBFGSLineSearch: 12 17:30:40 -50.107008 0.000459 LBFGSLineSearch: 13 17:30:40 -50.107008 0.000179 LBFGSLineSearch: 14 17:30:41 -50.107008 0.000136 LBFGSLineSearch: 15 17:30:41 -50.107008 0.000126 LBFGSLineSearch: 16 17:30:42 -50.107008 0.000178 LBFGSLineSearch: 17 17:30:43 -50.107008 0.000116 LBFGSLineSearch: 18 17:30:45 -50.107008 0.000101 LBFGSLineSearch: 19 17:30:46 -50.107008 0.000042 LBFGSLineSearch: 20 17:30:46 -50.107008 0.000003 Minimization converged after 20 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:51 -50.432868 0.032588 LBFGSLineSearch: 1 17:30:52 -50.433206 0.019869 LBFGSLineSearch: 2 17:30:53 -50.433299 0.009818 LBFGSLineSearch: 3 17:30:53 -50.433316 0.004715 LBFGSLineSearch: 4 17:30:53 -50.433318 0.003534 LBFGSLineSearch: 5 17:30:53 -50.433320 0.003205 LBFGSLineSearch: 6 17:30:53 -50.433321 0.002232 LBFGSLineSearch: 7 17:30:53 -50.433322 0.001793 LBFGSLineSearch: 8 17:30:54 -50.433323 0.003074 LBFGSLineSearch: 9 17:30:54 -50.433324 0.001372 LBFGSLineSearch: 10 17:30:54 -50.433324 0.001389 LBFGSLineSearch: 11 17:30:54 -50.433325 0.000721 LBFGSLineSearch: 12 17:30:54 -50.433325 0.000985 LBFGSLineSearch: 13 17:30:55 -50.433325 0.001183 LBFGSLineSearch: 14 17:30:55 -50.433325 0.000442 LBFGSLineSearch: 15 17:30:56 -50.433325 0.000432 LBFGSLineSearch: 16 17:30:56 -50.433326 0.000155 LBFGSLineSearch: 17 17:30:56 -50.433326 0.000148 LBFGSLineSearch: 18 17:30:56 -50.433326 0.000132 LBFGSLineSearch: 19 17:30:57 -50.433326 0.000107 LBFGSLineSearch: 20 17:30:57 -50.433326 0.000157 LBFGSLineSearch: 21 17:30:57 -50.433326 0.000103 LBFGSLineSearch: 22 17:30:57 -50.433326 0.000037 LBFGSLineSearch: 23 17:30:57 -50.433326 0.000035 LBFGSLineSearch: 24 17:30:57 -50.433326 0.000003 Minimization converged after 24 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:02 -50.760104 0.032680 LBFGSLineSearch: 1 17:31:02 -50.760448 0.020148 LBFGSLineSearch: 2 17:31:03 -50.760544 0.009659 LBFGSLineSearch: 3 17:31:03 -50.760561 0.005428 LBFGSLineSearch: 4 17:31:04 -50.760565 0.003911 LBFGSLineSearch: 5 17:31:05 -50.760567 0.003339 LBFGSLineSearch: 6 17:31:05 -50.760568 0.002787 LBFGSLineSearch: 7 17:31:05 -50.760569 0.001880 LBFGSLineSearch: 8 17:31:06 -50.760570 0.002919 LBFGSLineSearch: 9 17:31:06 -50.760571 0.001450 LBFGSLineSearch: 10 17:31:06 -50.760571 0.001275 LBFGSLineSearch: 11 17:31:06 -50.760572 0.001210 LBFGSLineSearch: 12 17:31:06 -50.760573 0.000783 LBFGSLineSearch: 13 17:31:07 -50.760573 0.000470 LBFGSLineSearch: 14 17:31:07 -50.760573 0.000449 LBFGSLineSearch: 15 17:31:07 -50.760573 0.000447 LBFGSLineSearch: 16 17:31:07 -50.760573 0.000147 LBFGSLineSearch: 17 17:31:08 -50.760573 0.000142 LBFGSLineSearch: 18 17:31:08 -50.760573 0.000100 LBFGSLineSearch: 19 17:31:08 -50.760573 0.000115 LBFGSLineSearch: 20 17:31:08 -50.760573 0.000105 LBFGSLineSearch: 21 17:31:08 -50.760573 0.000080 LBFGSLineSearch: 22 17:31:08 -50.760573 0.000045 LBFGSLineSearch: 23 17:31:09 -50.760573 0.000039 LBFGSLineSearch: 24 17:31:09 -50.760573 0.000022 LBFGSLineSearch: 25 17:31:09 -50.760573 0.000003 Minimization converged after 25 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:13 -51.088293 0.032774 LBFGSLineSearch: 1 17:31:14 -51.088642 0.020438 LBFGSLineSearch: 2 17:31:15 -51.088743 0.009496 LBFGSLineSearch: 3 17:31:15 -51.088759 0.006523 LBFGSLineSearch: 4 17:31:16 -51.088765 0.004316 LBFGSLineSearch: 5 17:31:16 -51.088767 0.003518 LBFGSLineSearch: 6 17:31:17 -51.088769 0.003603 LBFGSLineSearch: 7 17:31:17 -51.088770 0.002506 LBFGSLineSearch: 8 17:31:18 -51.088772 0.001582 LBFGSLineSearch: 9 17:31:19 -51.088772 0.001462 LBFGSLineSearch: 10 17:31:20 -51.088772 0.001611 LBFGSLineSearch: 11 17:31:20 -51.088773 0.001333 LBFGSLineSearch: 12 17:31:21 -51.088774 0.000556 LBFGSLineSearch: 13 17:31:21 -51.088774 0.000365 LBFGSLineSearch: 14 17:31:21 -51.088774 0.000530 LBFGSLineSearch: 15 17:31:22 -51.088774 0.000144 LBFGSLineSearch: 16 17:31:22 -51.088774 0.000140 LBFGSLineSearch: 17 17:31:22 -51.088774 0.000102 LBFGSLineSearch: 18 17:31:22 -51.088774 0.000111 LBFGSLineSearch: 19 17:31:22 -51.088774 0.000098 LBFGSLineSearch: 20 17:31:22 -51.088774 0.000092 LBFGSLineSearch: 21 17:31:23 -51.088774 0.000080 LBFGSLineSearch: 22 17:31:23 -51.088774 0.000039 LBFGSLineSearch: 23 17:31:23 -51.088774 0.000017 LBFGSLineSearch: 24 17:31:23 -51.088774 0.000004 Minimization converged after 24 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:28 -51.417460 0.032871 LBFGSLineSearch: 1 17:31:28 -51.417814 0.020740 LBFGSLineSearch: 2 17:31:28 -51.417919 0.009329 LBFGSLineSearch: 3 17:31:28 -51.417935 0.008185 LBFGSLineSearch: 4 17:31:28 -51.417944 0.004827 LBFGSLineSearch: 5 17:31:28 -51.417948 0.001980 LBFGSLineSearch: 6 17:31:29 -51.417949 0.002731 LBFGSLineSearch: 7 17:31:29 -51.417951 0.001689 LBFGSLineSearch: 8 17:31:29 -51.417951 0.001482 LBFGSLineSearch: 9 17:31:29 -51.417952 0.001390 LBFGSLineSearch: 10 17:31:29 -51.417953 0.000808 LBFGSLineSearch: 11 17:31:29 -51.417953 0.000359 LBFGSLineSearch: 12 17:31:29 -51.417953 0.000467 LBFGSLineSearch: 13 17:31:29 -51.417953 0.000618 LBFGSLineSearch: 14 17:31:29 -51.417953 0.000156 LBFGSLineSearch: 15 17:31:30 -51.417953 0.000115 LBFGSLineSearch: 16 17:31:30 -51.417953 0.000099 LBFGSLineSearch: 17 17:31:30 -51.417953 0.000106 LBFGSLineSearch: 18 17:31:30 -51.417953 0.000086 LBFGSLineSearch: 19 17:31:30 -51.417953 0.000073 LBFGSLineSearch: 20 17:31:30 -51.417953 0.000046 LBFGSLineSearch: 21 17:31:30 -51.417953 0.000004 Minimization converged after 21 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:36 -51.747630 0.032971 LBFGSLineSearch: 1 17:31:36 -51.747989 0.021055 LBFGSLineSearch: 2 17:31:36 -51.748099 0.009159 LBFGSLineSearch: 3 17:31:37 -51.748115 0.009549 LBFGSLineSearch: 4 17:31:37 -51.748127 0.005029 LBFGSLineSearch: 5 17:31:37 -51.748131 0.002050 LBFGSLineSearch: 6 17:31:38 -51.748132 0.003348 LBFGSLineSearch: 7 17:31:38 -51.748134 0.001700 LBFGSLineSearch: 8 17:31:38 -51.748135 0.001461 LBFGSLineSearch: 9 17:31:39 -51.748136 0.000920 LBFGSLineSearch: 10 17:31:39 -51.748136 0.000865 LBFGSLineSearch: 11 17:31:39 -51.748137 0.000669 LBFGSLineSearch: 12 17:31:39 -51.748137 0.000528 LBFGSLineSearch: 13 17:31:39 -51.748137 0.000459 LBFGSLineSearch: 14 17:31:40 -51.748137 0.000159 LBFGSLineSearch: 15 17:31:40 -51.748137 0.000110 LBFGSLineSearch: 16 17:31:41 -51.748137 0.000096 LBFGSLineSearch: 17 17:31:41 -51.748137 0.000082 LBFGSLineSearch: 18 17:31:42 -51.748137 0.000074 LBFGSLineSearch: 19 17:31:42 -51.748137 0.000110 LBFGSLineSearch: 20 17:31:43 -51.748137 0.000054 LBFGSLineSearch: 21 17:31:43 -51.748137 0.000068 LBFGSLineSearch: 22 17:31:44 -51.748137 0.000037 LBFGSLineSearch: 23 17:31:44 -51.748137 0.000004 Minimization converged after 23 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:49 -52.078832 0.033073 LBFGSLineSearch: 1 17:31:49 -52.079197 0.021386 LBFGSLineSearch: 2 17:31:50 -52.079313 0.009448 LBFGSLineSearch: 3 17:31:50 -52.079328 0.010643 LBFGSLineSearch: 4 17:31:50 -52.079342 0.005264 LBFGSLineSearch: 5 17:31:50 -52.079347 0.002130 LBFGSLineSearch: 6 17:31:50 -52.079348 0.003524 LBFGSLineSearch: 7 17:31:51 -52.079351 0.001785 LBFGSLineSearch: 8 17:31:51 -52.079352 0.001545 LBFGSLineSearch: 9 17:31:51 -52.079353 0.001054 LBFGSLineSearch: 10 17:31:51 -52.079353 0.000925 LBFGSLineSearch: 11 17:31:51 -52.079353 0.000797 LBFGSLineSearch: 12 17:31:51 -52.079353 0.000629 LBFGSLineSearch: 13 17:31:52 -52.079353 0.000560 LBFGSLineSearch: 14 17:31:52 -52.079353 0.000226 LBFGSLineSearch: 15 17:31:52 -52.079354 0.000147 LBFGSLineSearch: 16 17:31:52 -52.079354 0.000130 LBFGSLineSearch: 17 17:31:52 -52.079354 0.000094 LBFGSLineSearch: 18 17:31:53 -52.079354 0.000094 LBFGSLineSearch: 19 17:31:53 -52.079354 0.000080 LBFGSLineSearch: 20 17:31:53 -52.079354 0.000070 LBFGSLineSearch: 21 17:31:53 -52.079354 0.000074 LBFGSLineSearch: 22 17:31:53 -52.079354 0.000061 LBFGSLineSearch: 23 17:31:53 -52.079354 0.000044 LBFGSLineSearch: 24 17:31:53 -52.079354 0.000041 LBFGSLineSearch: 25 17:31:54 -52.079354 0.000032 LBFGSLineSearch: 26 17:31:54 -52.079354 0.000010 LBFGSLineSearch: 27 17:31:54 -52.079354 0.000005 Minimization converged after 27 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:58 -52.411097 0.033178 LBFGSLineSearch: 1 17:31:59 -52.411468 0.021732 LBFGSLineSearch: 2 17:31:59 -52.411589 0.009858 LBFGSLineSearch: 3 17:31:59 -52.411605 0.011530 LBFGSLineSearch: 4 17:31:59 -52.411622 0.005530 LBFGSLineSearch: 5 17:32:00 -52.411627 0.002221 LBFGSLineSearch: 6 17:32:00 -52.411628 0.003659 LBFGSLineSearch: 7 17:32:00 -52.411631 0.001878 LBFGSLineSearch: 8 17:32:00 -52.411632 0.001639 LBFGSLineSearch: 9 17:32:01 -52.411633 0.001283 LBFGSLineSearch: 10 17:32:01 -52.411634 0.000943 LBFGSLineSearch: 11 17:32:01 -52.411634 0.000632 LBFGSLineSearch: 12 17:32:02 -52.411634 0.000586 LBFGSLineSearch: 13 17:32:02 -52.411634 0.000204 LBFGSLineSearch: 14 17:32:02 -52.411634 0.000164 LBFGSLineSearch: 15 17:32:02 -52.411634 0.000150 LBFGSLineSearch: 16 17:32:03 -52.411634 0.000084 LBFGSLineSearch: 17 17:32:03 -52.411634 0.000077 LBFGSLineSearch: 18 17:32:03 -52.411634 0.000079 LBFGSLineSearch: 19 17:32:04 -52.411634 0.000063 LBFGSLineSearch: 20 17:32:04 -52.411634 0.000065 LBFGSLineSearch: 21 17:32:04 -52.411634 0.000043 LBFGSLineSearch: 22 17:32:04 -52.411634 0.000044 LBFGSLineSearch: 23 17:32:04 -52.411634 0.000010 Minimization converged after 23 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:09 -52.744457 0.033288 LBFGSLineSearch: 1 17:32:10 -52.744835 0.022091 LBFGSLineSearch: 2 17:32:10 -52.744961 0.010293 LBFGSLineSearch: 3 17:32:11 -52.744978 0.012282 LBFGSLineSearch: 4 17:32:11 -52.744998 0.005828 LBFGSLineSearch: 5 17:32:11 -52.745004 0.002325 LBFGSLineSearch: 6 17:32:11 -52.745005 0.003795 LBFGSLineSearch: 7 17:32:12 -52.745008 0.001981 LBFGSLineSearch: 8 17:32:12 -52.745010 0.001736 LBFGSLineSearch: 9 17:32:12 -52.745010 0.001450 LBFGSLineSearch: 10 17:32:12 -52.745011 0.000974 LBFGSLineSearch: 11 17:32:13 -52.745012 0.000444 LBFGSLineSearch: 12 17:32:13 -52.745012 0.000583 LBFGSLineSearch: 13 17:32:13 -52.745012 0.000731 LBFGSLineSearch: 14 17:32:14 -52.745012 0.000176 LBFGSLineSearch: 15 17:32:14 -52.745012 0.000090 LBFGSLineSearch: 16 17:32:14 -52.745012 0.000078 LBFGSLineSearch: 17 17:32:15 -52.745012 0.000076 LBFGSLineSearch: 18 17:32:15 -52.745012 0.000061 LBFGSLineSearch: 19 17:32:15 -52.745012 0.000059 LBFGSLineSearch: 20 17:32:16 -52.745012 0.000042 LBFGSLineSearch: 21 17:32:16 -52.745012 0.000013 LBFGSLineSearch: 22 17:32:17 -52.745012 0.000006 Minimization converged after 22 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:22 -53.078950 0.033399 LBFGSLineSearch: 1 17:32:22 -53.079334 0.022474 LBFGSLineSearch: 2 17:32:22 -53.079467 0.010758 LBFGSLineSearch: 3 17:32:23 -53.079485 0.012949 LBFGSLineSearch: 4 17:32:23 -53.079507 0.006160 LBFGSLineSearch: 5 17:32:23 -53.079514 0.002527 LBFGSLineSearch: 6 17:32:23 -53.079515 0.003944 LBFGSLineSearch: 7 17:32:23 -53.079519 0.002098 LBFGSLineSearch: 8 17:32:24 -53.079521 0.001790 LBFGSLineSearch: 9 17:32:24 -53.079521 0.001526 LBFGSLineSearch: 10 17:32:24 -53.079522 0.001033 LBFGSLineSearch: 11 17:32:24 -53.079523 0.000475 LBFGSLineSearch: 12 17:32:24 -53.079523 0.000620 LBFGSLineSearch: 13 17:32:24 -53.079523 0.000772 LBFGSLineSearch: 14 17:32:25 -53.079523 0.000185 LBFGSLineSearch: 15 17:32:25 -53.079523 0.000071 LBFGSLineSearch: 16 17:32:25 -53.079523 0.000058 LBFGSLineSearch: 17 17:32:25 -53.079523 0.000042 LBFGSLineSearch: 18 17:32:26 -53.079523 0.000041 LBFGSLineSearch: 19 17:32:26 -53.079523 0.000022 LBFGSLineSearch: 20 17:32:26 -53.079523 0.000006 Minimization converged after 20 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:31 -53.414614 0.033515 LBFGSLineSearch: 1 17:32:31 -53.415004 0.022876 LBFGSLineSearch: 2 17:32:31 -53.415144 0.011254 LBFGSLineSearch: 3 17:32:32 -53.415164 0.013572 LBFGSLineSearch: 4 17:32:32 -53.415189 0.006529 LBFGSLineSearch: 5 17:32:33 -53.415197 0.002789 LBFGSLineSearch: 6 17:32:34 -53.415198 0.004111 LBFGSLineSearch: 7 17:32:35 -53.415202 0.002271 LBFGSLineSearch: 8 17:32:35 -53.415203 0.001920 LBFGSLineSearch: 9 17:32:35 -53.415205 0.002105 LBFGSLineSearch: 10 17:32:36 -53.415207 0.001079 LBFGSLineSearch: 11 17:32:36 -53.415207 0.000586 LBFGSLineSearch: 12 17:32:37 -53.415207 0.000655 LBFGSLineSearch: 13 17:32:37 -53.415207 0.000803 LBFGSLineSearch: 14 17:32:37 -53.415207 0.000194 LBFGSLineSearch: 15 17:32:37 -53.415207 0.000105 LBFGSLineSearch: 16 17:32:37 -53.415207 0.000073 LBFGSLineSearch: 17 17:32:38 -53.415207 0.000081 LBFGSLineSearch: 18 17:32:38 -53.415207 0.000057 LBFGSLineSearch: 19 17:32:38 -53.415207 0.000044 LBFGSLineSearch: 20 17:32:38 -53.415207 0.000028 LBFGSLineSearch: 21 17:32:39 -53.415207 0.000037 LBFGSLineSearch: 22 17:32:39 -53.415207 0.000028 LBFGSLineSearch: 23 17:32:39 -53.415207 0.000015 LBFGSLineSearch: 24 17:32:39 -53.415207 0.000007 Minimization converged after 24 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:44 -53.751492 0.033634 LBFGSLineSearch: 1 17:32:45 -53.751890 0.023299 LBFGSLineSearch: 2 17:32:45 -53.752037 0.011783 LBFGSLineSearch: 3 17:32:46 -53.752055 0.011317 LBFGSLineSearch: 4 17:32:46 -53.752076 0.008675 LBFGSLineSearch: 5 17:32:46 -53.752091 0.006524 LBFGSLineSearch: 6 17:32:47 -53.752098 0.002554 LBFGSLineSearch: 7 17:32:47 -53.752100 0.004700 LBFGSLineSearch: 8 17:32:47 -53.752103 0.002274 LBFGSLineSearch: 9 17:32:47 -53.752106 0.002166 LBFGSLineSearch: 10 17:32:47 -53.752107 0.001412 LBFGSLineSearch: 11 17:32:47 -53.752108 0.000996 LBFGSLineSearch: 12 17:32:48 -53.752108 0.000851 LBFGSLineSearch: 13 17:32:48 -53.752108 0.000750 LBFGSLineSearch: 14 17:32:48 -53.752108 0.000301 LBFGSLineSearch: 15 17:32:48 -53.752108 0.000180 LBFGSLineSearch: 16 17:32:48 -53.752108 0.000157 LBFGSLineSearch: 17 17:32:48 -53.752108 0.000066 LBFGSLineSearch: 18 17:32:48 -53.752108 0.000095 LBFGSLineSearch: 19 17:32:48 -53.752108 0.000043 LBFGSLineSearch: 20 17:32:49 -53.752108 0.000043 LBFGSLineSearch: 21 17:32:49 -53.752108 0.000023 LBFGSLineSearch: 22 17:32:49 -53.752108 0.000031 LBFGSLineSearch: 23 17:32:49 -53.752108 0.000008 Minimization converged after 23 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:54 -54.089634 0.033756 LBFGSLineSearch: 1 17:32:54 -54.090039 0.023745 LBFGSLineSearch: 2 17:32:54 -54.090194 0.012350 LBFGSLineSearch: 3 17:32:55 -54.090215 0.011813 LBFGSLineSearch: 4 17:32:55 -54.090237 0.009451 LBFGSLineSearch: 5 17:32:55 -54.090255 0.006979 LBFGSLineSearch: 6 17:32:55 -54.090263 0.002699 LBFGSLineSearch: 7 17:32:55 -54.090265 0.004950 LBFGSLineSearch: 8 17:32:56 -54.090269 0.002428 LBFGSLineSearch: 9 17:32:56 -54.090272 0.002338 LBFGSLineSearch: 10 17:32:56 -54.090273 0.001672 LBFGSLineSearch: 11 17:32:56 -54.090274 0.001090 LBFGSLineSearch: 12 17:32:57 -54.090275 0.000710 LBFGSLineSearch: 13 17:32:57 -54.090275 0.000803 LBFGSLineSearch: 14 17:32:57 -54.090275 0.000349 LBFGSLineSearch: 15 17:32:57 -54.090275 0.000194 LBFGSLineSearch: 16 17:32:57 -54.090275 0.000161 LBFGSLineSearch: 17 17:32:57 -54.090275 0.000077 LBFGSLineSearch: 18 17:32:58 -54.090275 0.000102 LBFGSLineSearch: 19 17:32:58 -54.090275 0.000046 LBFGSLineSearch: 20 17:32:58 -54.090275 0.000045 LBFGSLineSearch: 21 17:32:58 -54.090275 0.000023 LBFGSLineSearch: 22 17:32:58 -54.090275 0.000030 LBFGSLineSearch: 23 17:32:58 -54.090275 0.000007 Minimization converged after 23 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:03 -54.429092 0.033885 LBFGSLineSearch: 1 17:33:03 -54.429505 0.024219 LBFGSLineSearch: 2 17:33:04 -54.429669 0.012962 LBFGSLineSearch: 3 17:33:04 -54.429693 0.012358 LBFGSLineSearch: 4 17:33:04 -54.429717 0.010222 LBFGSLineSearch: 5 17:33:04 -54.429738 0.007491 LBFGSLineSearch: 6 17:33:04 -54.429747 0.002928 LBFGSLineSearch: 7 17:33:04 -54.429750 0.005237 LBFGSLineSearch: 8 17:33:05 -54.429755 0.002638 LBFGSLineSearch: 9 17:33:05 -54.429756 0.002667 LBFGSLineSearch: 10 17:33:05 -54.429759 0.002674 LBFGSLineSearch: 11 17:33:05 -54.429761 0.001152 LBFGSLineSearch: 12 17:33:05 -54.429761 0.000749 LBFGSLineSearch: 13 17:33:05 -54.429761 0.000810 LBFGSLineSearch: 14 17:33:06 -54.429762 0.000930 LBFGSLineSearch: 15 17:33:06 -54.429762 0.000223 LBFGSLineSearch: 16 17:33:06 -54.429762 0.000174 LBFGSLineSearch: 17 17:33:06 -54.429762 0.000099 LBFGSLineSearch: 18 17:33:06 -54.429762 0.000096 LBFGSLineSearch: 19 17:33:06 -54.429762 0.000049 LBFGSLineSearch: 20 17:33:06 -54.429762 0.000054 LBFGSLineSearch: 21 17:33:06 -54.429762 0.000023 LBFGSLineSearch: 22 17:33:07 -54.429762 0.000033 LBFGSLineSearch: 23 17:33:07 -54.429762 0.000007 Minimization converged after 23 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:11 -54.769928 0.034019 LBFGSLineSearch: 1 17:33:12 -54.770349 0.024722 LBFGSLineSearch: 2 17:33:12 -54.770522 0.013618 LBFGSLineSearch: 3 17:33:12 -54.770550 0.012950 LBFGSLineSearch: 4 17:33:12 -54.770577 0.010995 LBFGSLineSearch: 5 17:33:13 -54.770601 0.008059 LBFGSLineSearch: 6 17:33:13 -54.770612 0.003281 LBFGSLineSearch: 7 17:33:13 -54.770614 0.005559 LBFGSLineSearch: 8 17:33:13 -54.770621 0.002860 LBFGSLineSearch: 9 17:33:13 -54.770621 0.002530 LBFGSLineSearch: 10 17:33:13 -54.770624 0.001956 LBFGSLineSearch: 11 17:33:14 -54.770626 0.002580 LBFGSLineSearch: 12 17:33:14 -54.770627 0.003105 LBFGSLineSearch: 13 17:33:14 -54.770628 0.000969 LBFGSLineSearch: 14 17:33:14 -54.770628 0.000920 LBFGSLineSearch: 15 17:33:15 -54.770629 0.000427 LBFGSLineSearch: 16 17:33:15 -54.770629 0.000215 LBFGSLineSearch: 17 17:33:15 -54.770629 0.000156 LBFGSLineSearch: 18 17:33:15 -54.770629 0.000088 LBFGSLineSearch: 19 17:33:15 -54.770629 0.000118 LBFGSLineSearch: 20 17:33:16 -54.770629 0.000063 LBFGSLineSearch: 21 17:33:16 -54.770629 0.000057 LBFGSLineSearch: 22 17:33:16 -54.770629 0.000036 LBFGSLineSearch: 23 17:33:16 -54.770629 0.000015 LBFGSLineSearch: 24 17:33:16 -54.770629 0.000008 Minimization converged after 24 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:21 -55.112208 0.034161 LBFGSLineSearch: 1 17:33:21 -55.112637 0.025258 LBFGSLineSearch: 2 17:33:21 -55.112821 0.014322 LBFGSLineSearch: 3 17:33:22 -55.112854 0.013594 LBFGSLineSearch: 4 17:33:22 -55.112883 0.011782 LBFGSLineSearch: 5 17:33:22 -55.112911 0.008686 LBFGSLineSearch: 6 17:33:22 -55.112924 0.003681 LBFGSLineSearch: 7 17:33:23 -55.112927 0.005913 LBFGSLineSearch: 8 17:33:23 -55.112934 0.003090 LBFGSLineSearch: 9 17:33:23 -55.112935 0.002901 LBFGSLineSearch: 10 17:33:23 -55.112936 0.003315 LBFGSLineSearch: 11 17:33:24 -55.112940 0.003115 LBFGSLineSearch: 12 17:33:24 -55.112943 0.001185 LBFGSLineSearch: 13 17:33:24 -55.112943 0.000894 LBFGSLineSearch: 14 17:33:24 -55.112943 0.000943 LBFGSLineSearch: 15 17:33:25 -55.112943 0.000813 LBFGSLineSearch: 16 17:33:25 -55.112944 0.000231 LBFGSLineSearch: 17 17:33:25 -55.112944 0.000143 LBFGSLineSearch: 18 17:33:25 -55.112944 0.000096 LBFGSLineSearch: 19 17:33:25 -55.112944 0.000080 LBFGSLineSearch: 20 17:33:26 -55.112944 0.000084 LBFGSLineSearch: 21 17:33:26 -55.112944 0.000050 LBFGSLineSearch: 22 17:33:27 -55.112944 0.000010 Minimization converged after 22 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:33 -55.456007 0.034316 LBFGSLineSearch: 1 17:33:33 -55.456445 0.025826 LBFGSLineSearch: 2 17:33:33 -55.456640 0.015067 LBFGSLineSearch: 3 17:33:34 -55.456679 0.014287 LBFGSLineSearch: 4 17:33:34 -55.456712 0.012587 LBFGSLineSearch: 5 17:33:34 -55.456744 0.009386 LBFGSLineSearch: 6 17:33:34 -55.456759 0.004138 LBFGSLineSearch: 7 17:33:35 -55.456762 0.004406 LBFGSLineSearch: 8 17:33:35 -55.456766 0.006673 LBFGSLineSearch: 9 17:33:35 -55.456772 0.003074 LBFGSLineSearch: 10 17:33:35 -55.456777 0.003277 LBFGSLineSearch: 11 17:33:35 -55.456780 0.001911 LBFGSLineSearch: 12 17:33:36 -55.456781 0.001315 LBFGSLineSearch: 13 17:33:36 -55.456781 0.001206 LBFGSLineSearch: 14 17:33:36 -55.456782 0.001108 LBFGSLineSearch: 15 17:33:36 -55.456782 0.001052 LBFGSLineSearch: 16 17:33:36 -55.456782 0.000602 LBFGSLineSearch: 17 17:33:36 -55.456782 0.000246 LBFGSLineSearch: 18 17:33:36 -55.456782 0.000231 LBFGSLineSearch: 19 17:33:37 -55.456782 0.000183 LBFGSLineSearch: 20 17:33:37 -55.456782 0.000154 LBFGSLineSearch: 21 17:33:37 -55.456782 0.000139 LBFGSLineSearch: 22 17:33:37 -55.456782 0.000112 LBFGSLineSearch: 23 17:33:37 -55.456782 0.000099 LBFGSLineSearch: 24 17:33:37 -55.456782 0.000101 LBFGSLineSearch: 25 17:33:37 -55.456782 0.000065 LBFGSLineSearch: 26 17:33:37 -55.456782 0.000017 LBFGSLineSearch: 27 17:33:38 -55.456782 0.000020 LBFGSLineSearch: 28 17:33:38 -55.456782 0.000001 Minimization converged after 28 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:42 -55.801411 0.034463 LBFGSLineSearch: 1 17:33:43 -55.801859 0.026431 LBFGSLineSearch: 2 17:33:44 -55.802065 0.015872 LBFGSLineSearch: 3 17:33:44 -55.802111 0.015062 LBFGSLineSearch: 4 17:33:44 -55.802148 0.013457 LBFGSLineSearch: 5 17:33:44 -55.802185 0.010181 LBFGSLineSearch: 6 17:33:44 -55.802203 0.004670 LBFGSLineSearch: 7 17:33:45 -55.802207 0.004805 LBFGSLineSearch: 8 17:33:45 -55.802212 0.007314 LBFGSLineSearch: 9 17:33:45 -55.802219 0.003303 LBFGSLineSearch: 10 17:33:45 -55.802225 0.003555 LBFGSLineSearch: 11 17:33:45 -55.802228 0.002130 LBFGSLineSearch: 12 17:33:45 -55.802230 0.001414 LBFGSLineSearch: 13 17:33:46 -55.802230 0.001362 LBFGSLineSearch: 14 17:33:46 -55.802230 0.001253 LBFGSLineSearch: 15 17:33:46 -55.802231 0.001148 LBFGSLineSearch: 16 17:33:46 -55.802231 0.000680 LBFGSLineSearch: 17 17:33:46 -55.802231 0.000312 LBFGSLineSearch: 18 17:33:46 -55.802231 0.000263 LBFGSLineSearch: 19 17:33:47 -55.802231 0.000205 LBFGSLineSearch: 20 17:33:47 -55.802231 0.000191 LBFGSLineSearch: 21 17:33:47 -55.802231 0.000187 LBFGSLineSearch: 22 17:33:47 -55.802231 0.000129 LBFGSLineSearch: 23 17:33:47 -55.802231 0.000077 LBFGSLineSearch: 24 17:33:47 -55.802231 0.000083 LBFGSLineSearch: 25 17:33:47 -55.802231 0.000082 LBFGSLineSearch: 26 17:33:48 -55.802231 0.000034 LBFGSLineSearch: 27 17:33:48 -55.802231 0.000024 LBFGSLineSearch: 28 17:33:48 -55.802231 0.000000 Minimization converged after 28 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:52 -56.148518 0.034629 LBFGSLineSearch: 1 17:33:52 -56.148976 0.027094 LBFGSLineSearch: 2 17:33:53 -56.149196 0.016757 LBFGSLineSearch: 3 17:33:53 -56.149251 0.015975 LBFGSLineSearch: 4 17:33:53 -56.149294 0.014483 LBFGSLineSearch: 5 17:33:53 -56.149338 0.011145 LBFGSLineSearch: 6 17:33:53 -56.149360 0.005314 LBFGSLineSearch: 7 17:33:53 -56.149364 0.005306 LBFGSLineSearch: 8 17:33:54 -56.149370 0.008147 LBFGSLineSearch: 9 17:33:54 -56.149379 0.003616 LBFGSLineSearch: 10 17:33:54 -56.149387 0.003938 LBFGSLineSearch: 11 17:33:54 -56.149389 0.002477 LBFGSLineSearch: 12 17:33:54 -56.149392 0.001587 LBFGSLineSearch: 13 17:33:54 -56.149393 0.001549 LBFGSLineSearch: 14 17:33:54 -56.149393 0.001418 LBFGSLineSearch: 15 17:33:55 -56.149394 0.001266 LBFGSLineSearch: 16 17:33:55 -56.149394 0.000751 LBFGSLineSearch: 17 17:33:55 -56.149394 0.000338 LBFGSLineSearch: 18 17:33:55 -56.149394 0.000302 LBFGSLineSearch: 19 17:33:56 -56.149394 0.000227 LBFGSLineSearch: 20 17:33:56 -56.149394 0.000224 LBFGSLineSearch: 21 17:33:57 -56.149394 0.000216 LBFGSLineSearch: 22 17:33:57 -56.149394 0.000148 LBFGSLineSearch: 23 17:33:58 -56.149394 0.000100 LBFGSLineSearch: 24 17:33:58 -56.149394 0.000100 LBFGSLineSearch: 25 17:33:59 -56.149394 0.000089 LBFGSLineSearch: 26 17:33:59 -56.149394 0.000046 LBFGSLineSearch: 27 17:33:59 -56.149394 0.000026 LBFGSLineSearch: 28 17:33:59 -56.149394 0.000030 LBFGSLineSearch: 29 17:33:59 -56.149394 0.000000 Minimization converged after 29 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:04 -56.497456 0.034806 LBFGSLineSearch: 1 17:34:04 -56.497926 0.027861 LBFGSLineSearch: 2 17:34:05 -56.498163 0.017811 LBFGSLineSearch: 3 17:34:05 -56.498231 0.017202 LBFGSLineSearch: 4 17:34:05 -56.498282 0.015952 LBFGSLineSearch: 5 17:34:05 -56.498335 0.012530 LBFGSLineSearch: 6 17:34:05 -56.498364 0.006192 LBFGSLineSearch: 7 17:34:06 -56.498370 0.006078 LBFGSLineSearch: 8 17:34:06 -56.498378 0.009583 LBFGSLineSearch: 9 17:34:06 -56.498391 0.004236 LBFGSLineSearch: 10 17:34:06 -56.498402 0.004738 LBFGSLineSearch: 11 17:34:07 -56.498405 0.003607 LBFGSLineSearch: 12 17:34:07 -56.498411 0.001951 LBFGSLineSearch: 13 17:34:08 -56.498413 0.001463 LBFGSLineSearch: 14 17:34:08 -56.498414 0.001431 LBFGSLineSearch: 15 17:34:08 -56.498414 0.001082 LBFGSLineSearch: 16 17:34:08 -56.498414 0.000406 LBFGSLineSearch: 17 17:34:08 -56.498414 0.000285 LBFGSLineSearch: 18 17:34:08 -56.498414 0.000195 LBFGSLineSearch: 19 17:34:09 -56.498414 0.000097 LBFGSLineSearch: 20 17:34:09 -56.498414 0.000082 LBFGSLineSearch: 21 17:34:09 -56.498414 0.000063 LBFGSLineSearch: 22 17:34:09 -56.498414 0.000072 LBFGSLineSearch: 23 17:34:09 -56.498414 0.000060 LBFGSLineSearch: 24 17:34:09 -56.498414 0.000025 LBFGSLineSearch: 25 17:34:09 -56.498414 0.000018 LBFGSLineSearch: 26 17:34:10 -56.498414 0.000015 LBFGSLineSearch: 27 17:34:10 -56.498414 0.000002 Minimization converged after 27 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:14 -56.848435 0.035003 LBFGSLineSearch: 1 17:34:15 -56.848920 0.028902 LBFGSLineSearch: 2 17:34:15 -56.849186 0.019390 LBFGSLineSearch: 3 17:34:16 -56.849276 0.019403 LBFGSLineSearch: 4 17:34:16 -56.849344 0.017488 LBFGSLineSearch: 5 17:34:16 -56.849410 0.014774 LBFGSLineSearch: 6 17:34:16 -56.849450 0.007335 LBFGSLineSearch: 7 17:34:16 -56.849459 0.007481 LBFGSLineSearch: 8 17:34:16 -56.849471 0.012090 LBFGSLineSearch: 9 17:34:17 -56.849492 0.005012 LBFGSLineSearch: 10 17:34:17 -56.849507 0.005690 LBFGSLineSearch: 11 17:34:17 -56.849512 0.004501 LBFGSLineSearch: 12 17:34:17 -56.849520 0.002280 LBFGSLineSearch: 13 17:34:18 -56.849523 0.001824 LBFGSLineSearch: 14 17:34:18 -56.849523 0.001261 LBFGSLineSearch: 15 17:34:18 -56.849523 0.000458 LBFGSLineSearch: 16 17:34:18 -56.849523 0.000340 LBFGSLineSearch: 17 17:34:18 -56.849524 0.000307 LBFGSLineSearch: 18 17:34:18 -56.849524 0.000274 LBFGSLineSearch: 19 17:34:19 -56.849524 0.000151 LBFGSLineSearch: 20 17:34:19 -56.849524 0.000121 LBFGSLineSearch: 21 17:34:19 -56.849524 0.000115 LBFGSLineSearch: 22 17:34:20 -56.849524 0.000139 LBFGSLineSearch: 23 17:34:20 -56.849524 0.000031 LBFGSLineSearch: 24 17:34:21 -56.849524 0.000014 LBFGSLineSearch: 25 17:34:21 -56.849524 0.000000 Minimization converged after 25 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:26 -57.201728 0.035220 LBFGSLineSearch: 1 17:34:26 -57.202224 0.029652 LBFGSLineSearch: 2 17:34:26 -57.202502 0.020449 LBFGSLineSearch: 3 17:34:26 -57.202607 0.020151 LBFGSLineSearch: 4 17:34:26 -57.202681 0.019372 LBFGSLineSearch: 5 17:34:27 -57.202765 0.015809 LBFGSLineSearch: 6 17:34:27 -57.202811 0.008504 LBFGSLineSearch: 7 17:34:27 -57.202822 0.007974 LBFGSLineSearch: 8 17:34:27 -57.202835 0.012713 LBFGSLineSearch: 9 17:34:27 -57.202859 0.005305 LBFGSLineSearch: 10 17:34:27 -57.202875 0.005623 LBFGSLineSearch: 11 17:34:27 -57.202879 0.004858 LBFGSLineSearch: 12 17:34:28 -57.202890 0.002777 LBFGSLineSearch: 13 17:34:28 -57.202893 0.002038 LBFGSLineSearch: 14 17:34:28 -57.202894 0.001812 LBFGSLineSearch: 15 17:34:28 -57.202894 0.001133 LBFGSLineSearch: 16 17:34:28 -57.202894 0.000452 LBFGSLineSearch: 17 17:34:28 -57.202895 0.000379 LBFGSLineSearch: 18 17:34:28 -57.202895 0.000402 LBFGSLineSearch: 19 17:34:29 -57.202895 0.000381 LBFGSLineSearch: 20 17:34:29 -57.202895 0.000269 LBFGSLineSearch: 21 17:34:29 -57.202895 0.000213 LBFGSLineSearch: 22 17:34:29 -57.202895 0.000180 LBFGSLineSearch: 23 17:34:29 -57.202895 0.000065 LBFGSLineSearch: 24 17:34:29 -57.202895 0.000034 LBFGSLineSearch: 25 17:34:30 -57.202895 0.000022 LBFGSLineSearch: 26 17:34:30 -57.202895 0.000012 LBFGSLineSearch: 27 17:34:30 -57.202895 0.000001 Minimization converged after 27 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:35 -57.557480 0.035459 LBFGSLineSearch: 1 17:34:35 -57.557991 0.030707 LBFGSLineSearch: 2 17:34:35 -57.558384 0.027281 LBFGSLineSearch: 3 17:34:35 -57.558546 0.014219 LBFGSLineSearch: 4 17:34:35 -57.558603 0.015850 LBFGSLineSearch: 5 17:34:35 -57.558648 0.018415 LBFGSLineSearch: 6 17:34:36 -57.558697 0.010641 LBFGSLineSearch: 7 17:34:36 -57.558749 0.005537 LBFGSLineSearch: 8 17:34:36 -57.558754 0.007077 LBFGSLineSearch: 9 17:34:36 -57.558771 0.005683 LBFGSLineSearch: 10 17:34:37 -57.558777 0.006108 LBFGSLineSearch: 11 17:34:37 -57.558784 0.007571 LBFGSLineSearch: 12 17:34:37 -57.558797 0.003509 LBFGSLineSearch: 13 17:34:37 -57.558803 0.002127 LBFGSLineSearch: 14 17:34:37 -57.558803 0.001902 LBFGSLineSearch: 15 17:34:38 -57.558804 0.000507 LBFGSLineSearch: 16 17:34:38 -57.558804 0.000518 LBFGSLineSearch: 17 17:34:38 -57.558804 0.000554 LBFGSLineSearch: 18 17:34:38 -57.558804 0.000565 LBFGSLineSearch: 19 17:34:38 -57.558804 0.000531 LBFGSLineSearch: 20 17:34:38 -57.558805 0.000514 LBFGSLineSearch: 21 17:34:38 -57.558805 0.000257 LBFGSLineSearch: 22 17:34:38 -57.558805 0.000270 LBFGSLineSearch: 23 17:34:39 -57.558805 0.000254 LBFGSLineSearch: 24 17:34:39 -57.558805 0.000013 LBFGSLineSearch: 25 17:34:39 -57.558805 0.000013 LBFGSLineSearch: 26 17:34:39 -57.558805 0.000000 Minimization converged after 26 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:43 -57.916107 0.035730 LBFGSLineSearch: 1 17:34:44 -57.916634 0.031941 LBFGSLineSearch: 2 17:34:44 -57.917088 0.030134 LBFGSLineSearch: 3 17:34:44 -57.917291 0.016641 LBFGSLineSearch: 4 17:34:44 -57.917373 0.018562 LBFGSLineSearch: 5 17:34:45 -57.917436 0.021665 LBFGSLineSearch: 6 17:34:45 -57.917505 0.012782 LBFGSLineSearch: 7 17:34:45 -57.917581 0.006652 LBFGSLineSearch: 8 17:34:45 -57.917587 0.007191 LBFGSLineSearch: 9 17:34:45 -57.917597 0.008767 LBFGSLineSearch: 10 17:34:45 -57.917622 0.006160 LBFGSLineSearch: 11 17:34:46 -57.917629 0.008584 LBFGSLineSearch: 12 17:34:46 -57.917651 0.003719 LBFGSLineSearch: 13 17:34:46 -57.917655 0.005029 LBFGSLineSearch: 14 17:34:46 -57.917661 0.002612 LBFGSLineSearch: 15 17:34:47 -57.917663 0.000968 LBFGSLineSearch: 16 17:34:47 -57.917663 0.000827 LBFGSLineSearch: 17 17:34:47 -57.917663 0.000761 LBFGSLineSearch: 18 17:34:47 -57.917664 0.000693 LBFGSLineSearch: 19 17:34:48 -57.917664 0.001114 LBFGSLineSearch: 20 17:34:48 -57.917665 0.000891 LBFGSLineSearch: 21 17:34:48 -57.917665 0.000263 LBFGSLineSearch: 22 17:34:48 -57.917665 0.000110 LBFGSLineSearch: 23 17:34:49 -57.917665 0.000049 LBFGSLineSearch: 24 17:34:49 -57.917665 0.000043 LBFGSLineSearch: 25 17:34:49 -57.917665 0.000025 LBFGSLineSearch: 26 17:34:49 -57.917665 0.000003 Minimization converged after 26 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:54 -58.278189 0.036053 LBFGSLineSearch: 1 17:34:55 -58.278737 0.033451 LBFGSLineSearch: 2 17:34:56 -58.279274 0.033991 LBFGSLineSearch: 3 17:34:56 -58.279623 0.027687 LBFGSLineSearch: 4 17:34:57 -58.279747 0.023725 LBFGSLineSearch: 5 17:34:57 -58.279856 0.014818 LBFGSLineSearch: 6 17:34:58 -58.279991 0.010282 LBFGSLineSearch: 7 17:34:58 -58.280007 0.009431 LBFGSLineSearch: 8 17:34:59 -58.280020 0.009084 LBFGSLineSearch: 9 17:34:59 -58.280059 0.007825 LBFGSLineSearch: 10 17:35:00 -58.280067 0.008049 LBFGSLineSearch: 11 17:35:00 -58.280082 0.010801 LBFGSLineSearch: 12 17:35:01 -58.280118 0.006091 LBFGSLineSearch: 13 17:35:02 -58.280134 0.003405 LBFGSLineSearch: 14 17:35:02 -58.280136 0.003191 LBFGSLineSearch: 15 17:35:03 -58.280139 0.001388 LBFGSLineSearch: 16 17:35:03 -58.280139 0.001366 LBFGSLineSearch: 17 17:35:04 -58.280141 0.001062 LBFGSLineSearch: 18 17:35:04 -58.280141 0.001398 LBFGSLineSearch: 19 17:35:05 -58.280142 0.001376 LBFGSLineSearch: 20 17:35:06 -58.280143 0.000978 LBFGSLineSearch: 21 17:35:06 -58.280143 0.001151 LBFGSLineSearch: 22 17:35:07 -58.280144 0.001522 LBFGSLineSearch: 23 17:35:07 -58.280145 0.000271 LBFGSLineSearch: 24 17:35:08 -58.280145 0.000229 LBFGSLineSearch: 25 17:35:09 -58.280145 0.000153 LBFGSLineSearch: 26 17:35:09 -58.280145 0.000135 LBFGSLineSearch: 27 17:35:10 -58.280145 0.000143 LBFGSLineSearch: 28 17:35:10 -58.280145 0.000061 LBFGSLineSearch: 29 17:35:11 -58.280145 0.000000 Minimization converged after 29 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:16 -58.644790 0.036465 LBFGSLineSearch: 1 17:35:16 -58.645363 0.035457 LBFGSLineSearch: 2 17:35:17 -58.646032 0.039855 LBFGSLineSearch: 3 17:35:17 -58.646574 0.037041 LBFGSLineSearch: 4 17:35:18 -58.646774 0.033021 LBFGSLineSearch: 5 17:35:18 -58.647010 0.021004 LBFGSLineSearch: 6 17:35:18 -58.647308 0.015302 LBFGSLineSearch: 7 17:35:18 -58.647361 0.014159 LBFGSLineSearch: 8 17:35:18 -58.647386 0.012715 LBFGSLineSearch: 9 17:35:18 -58.647426 0.014436 LBFGSLineSearch: 10 17:35:19 -58.647500 0.011885 LBFGSLineSearch: 11 17:35:19 -58.647611 0.010238 LBFGSLineSearch: 12 17:35:19 -58.647628 0.008354 LBFGSLineSearch: 13 17:35:19 -58.647671 0.004839 LBFGSLineSearch: 14 17:35:19 -58.647677 0.006310 LBFGSLineSearch: 15 17:35:20 -58.647689 0.003105 LBFGSLineSearch: 16 17:35:20 -58.647691 0.002741 LBFGSLineSearch: 17 17:35:20 -58.647692 0.002892 LBFGSLineSearch: 18 17:35:20 -58.647699 0.002809 LBFGSLineSearch: 19 17:35:20 -58.647704 0.002182 LBFGSLineSearch: 20 17:35:20 -58.647705 0.001543 LBFGSLineSearch: 21 17:35:20 -58.647706 0.001875 LBFGSLineSearch: 22 17:35:21 -58.647712 0.001092 LBFGSLineSearch: 23 17:35:21 -58.647714 0.000906 LBFGSLineSearch: 24 17:35:21 -58.647714 0.000586 LBFGSLineSearch: 25 17:35:21 -58.647714 0.000614 LBFGSLineSearch: 26 17:35:21 -58.647714 0.000657 LBFGSLineSearch: 27 17:35:21 -58.647715 0.000077 LBFGSLineSearch: 28 17:35:21 -58.647715 0.000000 Minimization converged after 28 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:26 -59.019034 0.037132 LBFGSLineSearch: 1 17:35:26 -59.019646 0.038943 LBFGSLineSearch: 2 17:35:27 -59.020608 0.052312 LBFGSLineSearch: 3 17:35:27 -59.021870 0.070381 LBFGSLineSearch: 4 17:35:28 -59.022493 0.066959 LBFGSLineSearch: 5 17:35:28 -59.024717 0.068845 LBFGSLineSearch: 6 17:35:28 -59.283537 1.714464 LBFGSLineSearch: 7 17:35:29 -59.283636 1.742278 LBFGSLineSearch: 8 17:35:29 -59.582102 3.077445 LBFGSLineSearch: 9 17:35:29 -59.934961 1.026307 LBFGSLineSearch: 10 17:35:29 -59.996557 1.498444 LBFGSLineSearch: 11 17:35:29 -60.122252 0.804262 LBFGSLineSearch: 12 17:35:30 -60.219746 0.685327 LBFGSLineSearch: 13 17:35:30 -60.312477 0.812763 LBFGSLineSearch: 14 17:35:30 -60.351842 0.730437 LBFGSLineSearch: 15 17:35:30 -60.390940 0.994562 LBFGSLineSearch: 16 17:35:30 -60.421194 1.063770 LBFGSLineSearch: 17 17:35:30 -60.468226 0.495505 LBFGSLineSearch: 18 17:35:30 -60.522712 0.512136 LBFGSLineSearch: 19 17:35:31 -60.550058 0.538890 LBFGSLineSearch: 20 17:35:31 -60.578552 0.903355 LBFGSLineSearch: 21 17:35:31 -60.624048 0.647657 LBFGSLineSearch: 22 17:35:31 -60.802479 0.918473 LBFGSLineSearch: 23 17:35:31 -60.871108 2.500697 LBFGSLineSearch: 24 17:35:31 -60.952236 1.326789 LBFGSLineSearch: 25 17:35:32 -61.099188 0.899247 LBFGSLineSearch: 26 17:35:32 -61.227748 2.379468 LBFGSLineSearch: 27 17:35:32 -61.327497 1.491464 LBFGSLineSearch: 28 17:35:32 -61.500480 5.418393 LBFGSLineSearch: 29 17:35:32 -61.666710 0.696178 LBFGSLineSearch: 30 17:35:32 -61.794656 4.223696 LBFGSLineSearch: 31 17:35:32 -61.901614 3.569519 LBFGSLineSearch: 32 17:35:32 -62.152197 3.203897 LBFGSLineSearch: 33 17:35:33 -63.348530 4.828779 LBFGSLineSearch: 34 17:35:33 -63.351280 5.700643 LBFGSLineSearch: 35 17:35:33 -65.469722 4.073256 LBFGSLineSearch: 36 17:35:34 -66.196088 4.784038 LBFGSLineSearch: 37 17:35:34 -67.642490 3.290139 Failed to get energy or crystal structure at pressure -16.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')