Model name? MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? 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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 A2B5_mC28_15_f_e2f 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 A2B5_mC28_15_f_e2f at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guesses for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation are used:\n1) a (angstrom): 11.8274, b/a: 0.4275665, c/a: 0.44659012, beta: 81.5056, y1: 0.41328487, x2: 0.8837067, y2: 0.70242178, z2: 0.094352322, x3: 0.9035336, y3: 0.93194864, z3: 0.4066338, x4: 0.78565419, y4: 0.39551601, z4: 0.29387664, obtained from OpenKIM Reference Data item RD_908245700773_000\n2) a (angstrom): 12.1357, b/a: 0.40989807, c/a: 0.43385219, beta: 78.1354, y1: 0.58118591, x2: 0.6160505, y2: 0.19947948, z2: 0.90490285, x3: 0.59809401, y3: 0.43498172, z3: 0.59873978, x4: 0.71184084, y4: 0.90265553, z4: 0.69440332, obtained from OpenKIM Reference Data item RD_196807244970_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": "2025-04-22 16:18:03.246727" }, "subject": { "extended-id": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "short-id": "MO_072689718616_002", "kimid-prefix": "MEAM_LAMMPS_KimJungLee_2010_FeNbC", "kimid-typecode": "mo", "kimid-number": "072689718616", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_KimJungLee_2010_FeNbC", "type": "mo", "kimnum": "072689718616", "version": 2, "shortcode": "MO_072689718616", "kimcode": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "path": "mo/MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "approved": true, "_id": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "makeable": true, "subject": true, "driver": { "extended-id": "MEAM_LAMMPS__MD_249792265679_002", "short-id": "MD_249792265679_002", "kimid-prefix": "MEAM_LAMMPS", "kimid-typecode": "md", "kimid-number": "249792265679", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS", "type": "md", "kimnum": "249792265679", "version": 2, "shortcode": "MD_249792265679", "kimcode": "MEAM_LAMMPS__MD_249792265679_002", "path": "md/MEAM_LAMMPS__MD_249792265679_002", "approved": true, "_id": "MEAM_LAMMPS__MD_249792265679_002", "makeable": true, "driver": true, "content-origin": "The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.)", "developer": [ "553f9aa4-98a2-477b-852f-a65cd9e1ace3", "05936d64-2312-402a-9873-5b6799e9f6db", "6ee0e203-4072-42b5-97a0-cf937edf5de8", "d5c826b2-1048-431c-bab6-0347f1c80c45", "98b95738-bd12-4464-9ed8-862e8be644e9", "f15f5ddf-8896-4f23-a4de-d96898caab64", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e", "57339548-c8c4-4b8b-a24b-6cecf2787096", "8ae4480b-2d4b-4f8c-b68d-6f8e2101d5a2", "d08eaec4-2289-4e6a-9fc7-c28d98c4156f", "cce68d90-29c8-48fa-a6fd-f806fa6d0f76", "a00983fc-9660-4769-82b0-5b90133a74be" ], "doi": "10.25950/ee5eba52", "domain": "openkim.org", "executables": [], "implementer": [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "a8c5e51f-f163-4842-b527-9ac69c3d33e2", "0f9bf091-9a1c-49e0-b107-a3bcc7d1dfa4", "27a42ac6-f00e-42a8-a1d3-54851ab2d08d", "d95e1403-9d6f-4dd4-ba80-1ccbf94dc75b", "44969c60-361d-4f11-87b8-6a5e35597d34", "741dc3be-59fb-4e5b-8653-c63be9d4ee5d", "e632a391-ea42-4bf6-8737-e71c296a067a" ], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "publication-year": "2023", "simulator-potential-compatibility": [ { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/spline" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/sw/spline" } ], "source-citations": [ { "author": "Baskes, M.I. and Nelson, J.S. and Wright, A.F.", "doi": "10.1103/PhysRevB.40.6085", "journal": "Phys. Rev. B", "pages": "6085--6100", "recordkey": "MD_249792265679_002a", "recordtype": "article", "title": "Semiempirical modified embedded-atom potentials for silicon and germanium", "volume": "40", "year": "1989" }, { "author": "Baskes, M.I.", "doi": "10.1103/PhysRevB.46.2727", "journal": "Phys. Rev. B", "pages": "2727--2742", "recordkey": "MD_249792265679_002b", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom potentials for cubic materials and impurities", "volume": "46", "year": "1992" }, { "author": "Lee, B.J. and Baskes, M.I.", "doi": "10.1103/PhysRevB.62.8564", "journal": "Phys. Rev. B", "pages": "8564--8567", "recordkey": "MD_249792265679_002c", "recordtype": "article", "title": "Second nearest-neighbor modified embedded-atom-method potential", "volume": "62", "year": "2000" }, { "author": "Lenosky, T.J. and Sadigh, B. and Alonso, E. and Bulatov, V.V. and de la Rubia, T.D. and Kim, J. and Voter, A.F. and Kress, J.D.", "doi": "10.1088/0965-0393/8/6/305", "journal": "Model. Simul. Mat. Sci. Eng", "pages": "825--841", "recordkey": "MD_249792265679_002d", "recordtype": "article", "title": "Highly optimized empirical potential model of silicon", "volume": "8", "year": "2000" } ], "title": "The modified embedded atom method (MEAM) potential v002", "created_on": "2024-10-01 20:38:58.516366" }, "content-origin": "http://cmse.postech.ac.kr/home_2nnmeam", "contributor-id": "f2115067-5058-4475-9520-c0aa04c4a6df", "description": "Interatomic potentials for Fe-Nb-C systems has been developed based on the previously developed MEAM potentials for lower order systems. According to the paper (Kim et al, Journal of Materials Research, 25(7), 2010), the potentials reproduce various fundamental physical properties (structural properties, elastic properties, thermal properties, and surface properties) in generally good agreement with higher-level calculations or experimental information.", "developer": [ "5a167265-87e3-44e4-870e-759fac0c70d7", "59cc80e4-a52a-48c1-90e0-292f4f6782fe", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/36c8c978", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "f2115067-5058-4475-9520-c0aa04c4a6df", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Kim, Hyun-Kyu and Jung, Woo-Sang and Lee, Byeong-Joo", "doi": "10.1557/JMR.2010.0182", "journal": "Journal of Materials Research", "number": "7", "pages": "1288--1297", "publisher": "Cambridge University Press", "recordkey": "MO_072689718616_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom method interatomic potentials for the {N}b-{C}, {N}b-{N}, {F}e-{N}b-{C}, and {F}e-{N}b-{N} systems", "volume": "25", "year": "2010" } ], "species": [ "Fe", "Nb", "C" ], "title": "MEAM Potential for the Fe-Nb-C system developed by Kim and Lee (2010) v002", "created_on": "2023-05-09 18:55:54.484150" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_072689718616_002-1750699546-tr", "created_on": "2025-06-23 18:22:10.510977", "dependencies": [] }, "created_on": "2025-06-23 18:22:10.510977", "inserted_on": "2025-06-23 18:24:34.339974", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0003877436482918224 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 16:45:29 -108.669444 0.045315 LBFGSLineSearch: 1 16:45:31 -108.670041 0.009493 LBFGSLineSearch: 2 16:45:36 -108.670069 0.003781 LBFGSLineSearch: 3 16:45:38 -108.670073 0.003971 LBFGSLineSearch: 4 16:45:40 -108.670076 0.003553 LBFGSLineSearch: 5 16:45:43 -108.670080 0.002929 LBFGSLineSearch: 6 16:45:46 -108.670083 0.002502 LBFGSLineSearch: 7 16:45:47 -108.670087 0.002188 LBFGSLineSearch: 8 16:45:49 -108.670088 0.002234 LBFGSLineSearch: 9 16:45:53 -108.670089 0.002422 LBFGSLineSearch: 10 16:45:55 -108.670091 0.002578 LBFGSLineSearch: 11 16:45:58 -108.670093 0.002320 LBFGSLineSearch: 12 16:46:01 -108.670096 0.001526 LBFGSLineSearch: 13 16:46:03 -108.670096 0.000929 LBFGSLineSearch: 14 16:46:07 -108.670097 0.000584 LBFGSLineSearch: 15 16:46:10 -108.670097 0.000312 LBFGSLineSearch: 16 16:46:13 -108.670097 0.000198 LBFGSLineSearch: 17 16:46:17 -108.670097 0.000180 LBFGSLineSearch: 18 16:46:20 -108.670097 0.000167 LBFGSLineSearch: 19 16:46:23 -108.670097 0.000159 LBFGSLineSearch: 20 16:46:25 -108.670097 0.000141 LBFGSLineSearch: 21 16:46:28 -108.670097 0.000153 LBFGSLineSearch: 22 16:46:31 -108.670097 0.000086 LBFGSLineSearch: 23 16:46:33 -108.670097 0.000074 LBFGSLineSearch: 24 16:46:34 -108.670097 0.000016 LBFGSLineSearch: 25 16:46:38 -108.670097 0.000013 LBFGSLineSearch: 26 16:46:42 -108.670097 0.000011 LBFGSLineSearch: 27 16:46:45 -108.670097 0.000010 LBFGSLineSearch: 28 16:46:49 -108.670097 0.000000 Minimization converged after 28 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:00 -108.592797 0.005521 LBFGSLineSearch: 1 16:47:06 -108.592806 0.001127 LBFGSLineSearch: 2 16:47:09 -108.592806 0.000561 LBFGSLineSearch: 3 16:47:12 -108.592806 0.000533 LBFGSLineSearch: 4 16:47:13 -108.592806 0.000378 LBFGSLineSearch: 5 16:47:16 -108.592806 0.000402 LBFGSLineSearch: 6 16:47:20 -108.592806 0.000264 LBFGSLineSearch: 7 16:47:23 -108.592806 0.000269 LBFGSLineSearch: 8 16:47:26 -108.592806 0.000329 LBFGSLineSearch: 9 16:47:27 -108.592806 0.000210 LBFGSLineSearch: 10 16:47:29 -108.592806 0.000285 LBFGSLineSearch: 11 16:47:33 -108.592806 0.000135 LBFGSLineSearch: 12 16:47:36 -108.592806 0.000146 LBFGSLineSearch: 13 16:47:37 -108.592806 0.000092 LBFGSLineSearch: 14 16:47:38 -108.592806 0.000025 LBFGSLineSearch: 15 16:47:41 -108.592806 0.000022 LBFGSLineSearch: 16 16:47:46 -108.592806 0.000012 LBFGSLineSearch: 17 16:47:49 -108.592806 0.000004 Minimization converged after 17 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:59 -108.506061 0.006198 LBFGSLineSearch: 1 16:48:00 -108.506073 0.001260 LBFGSLineSearch: 2 16:48:03 -108.506073 0.000611 LBFGSLineSearch: 3 16:48:06 -108.506073 0.000598 LBFGSLineSearch: 4 16:48:10 -108.506073 0.000443 LBFGSLineSearch: 5 16:48:13 -108.506073 0.000316 LBFGSLineSearch: 6 16:48:16 -108.506073 0.000319 LBFGSLineSearch: 7 16:48:18 -108.506074 0.000303 LBFGSLineSearch: 8 16:48:20 -108.506074 0.000291 LBFGSLineSearch: 9 16:48:23 -108.506074 0.000357 LBFGSLineSearch: 10 16:48:25 -108.506074 0.000298 LBFGSLineSearch: 11 16:48:28 -108.506074 0.000168 LBFGSLineSearch: 12 16:48:31 -108.506074 0.000157 LBFGSLineSearch: 13 16:48:34 -108.506074 0.000107 LBFGSLineSearch: 14 16:48:37 -108.506074 0.000030 LBFGSLineSearch: 15 16:48:38 -108.506074 0.000028 LBFGSLineSearch: 16 16:48:40 -108.506074 0.000023 LBFGSLineSearch: 17 16:48:41 -108.506074 0.000013 LBFGSLineSearch: 18 16:48:43 -108.506074 0.000011 LBFGSLineSearch: 19 16:48:46 -108.506074 0.000003 Minimization converged after 19 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:48:56 -108.408733 0.006955 LBFGSLineSearch: 1 16:49:01 -108.408747 0.001416 LBFGSLineSearch: 2 16:49:04 -108.408748 0.000704 LBFGSLineSearch: 3 16:49:07 -108.408748 0.000668 LBFGSLineSearch: 4 16:49:08 -108.408748 0.000492 LBFGSLineSearch: 5 16:49:11 -108.408748 0.000328 LBFGSLineSearch: 6 16:49:15 -108.408748 0.000384 LBFGSLineSearch: 7 16:49:18 -108.408748 0.000330 LBFGSLineSearch: 8 16:49:21 -108.408748 0.000393 LBFGSLineSearch: 9 16:49:24 -108.408748 0.000387 LBFGSLineSearch: 10 16:49:28 -108.408749 0.000352 LBFGSLineSearch: 11 16:49:31 -108.408749 0.000166 LBFGSLineSearch: 12 16:49:34 -108.408749 0.000175 LBFGSLineSearch: 13 16:49:37 -108.408749 0.000111 LBFGSLineSearch: 14 16:49:39 -108.408749 0.000035 LBFGSLineSearch: 15 16:49:43 -108.408749 0.000039 LBFGSLineSearch: 16 16:49:45 -108.408749 0.000027 LBFGSLineSearch: 17 16:49:46 -108.408749 0.000014 LBFGSLineSearch: 18 16:49:49 -108.408749 0.000003 Minimization converged after 18 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:50:01 -108.299522 0.007805 LBFGSLineSearch: 1 16:50:06 -108.299540 0.001587 LBFGSLineSearch: 2 16:50:07 -108.299541 0.000791 LBFGSLineSearch: 3 16:50:08 -108.299541 0.000746 LBFGSLineSearch: 4 16:50:09 -108.299541 0.000550 LBFGSLineSearch: 5 16:50:12 -108.299541 0.000348 LBFGSLineSearch: 6 16:50:16 -108.299541 0.000428 LBFGSLineSearch: 7 16:50:20 -108.299541 0.000372 LBFGSLineSearch: 8 16:50:22 -108.299541 0.000431 LBFGSLineSearch: 9 16:50:24 -108.299541 0.000438 LBFGSLineSearch: 10 16:50:27 -108.299541 0.000394 LBFGSLineSearch: 11 16:50:30 -108.299541 0.000188 LBFGSLineSearch: 12 16:50:32 -108.299541 0.000195 LBFGSLineSearch: 13 16:50:36 -108.299541 0.000118 LBFGSLineSearch: 14 16:50:39 -108.299541 0.000041 LBFGSLineSearch: 15 16:50:42 -108.299541 0.000040 LBFGSLineSearch: 16 16:50:46 -108.299541 0.000030 LBFGSLineSearch: 17 16:50:48 -108.299541 0.000016 LBFGSLineSearch: 18 16:50:51 -108.299541 0.000004 Minimization converged after 18 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:01 -108.176982 0.008758 LBFGSLineSearch: 1 16:51:04 -108.177004 0.001779 LBFGSLineSearch: 2 16:51:07 -108.177005 0.000888 LBFGSLineSearch: 3 16:51:10 -108.177005 0.000834 LBFGSLineSearch: 4 16:51:12 -108.177006 0.000615 LBFGSLineSearch: 5 16:51:14 -108.177006 0.000377 LBFGSLineSearch: 6 16:51:14 -108.177006 0.000408 LBFGSLineSearch: 7 16:51:15 -108.177006 0.000478 LBFGSLineSearch: 8 16:51:18 -108.177006 0.000417 LBFGSLineSearch: 9 16:51:21 -108.177006 0.000463 LBFGSLineSearch: 10 16:51:22 -108.177006 0.000467 LBFGSLineSearch: 11 16:51:24 -108.177006 0.000398 LBFGSLineSearch: 12 16:51:24 -108.177006 0.000445 LBFGSLineSearch: 13 16:51:26 -108.177006 0.000168 LBFGSLineSearch: 14 16:51:27 -108.177006 0.000153 LBFGSLineSearch: 15 16:51:30 -108.177006 0.000107 LBFGSLineSearch: 16 16:51:31 -108.177006 0.000053 LBFGSLineSearch: 17 16:51:34 -108.177006 0.000037 LBFGSLineSearch: 18 16:51:38 -108.177006 0.000034 LBFGSLineSearch: 19 16:51:41 -108.177006 0.000030 LBFGSLineSearch: 20 16:51:45 -108.177006 0.000017 LBFGSLineSearch: 21 16:51:49 -108.177006 0.000004 Minimization converged after 21 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:57 -108.039492 0.009826 LBFGSLineSearch: 1 16:52:00 -108.039520 0.001992 LBFGSLineSearch: 2 16:52:02 -108.039522 0.000993 LBFGSLineSearch: 3 16:52:05 -108.039522 0.000931 LBFGSLineSearch: 4 16:52:07 -108.039522 0.000687 LBFGSLineSearch: 5 16:52:10 -108.039522 0.000415 LBFGSLineSearch: 6 16:52:11 -108.039522 0.000454 LBFGSLineSearch: 7 16:52:14 -108.039522 0.000530 LBFGSLineSearch: 8 16:52:18 -108.039522 0.000465 LBFGSLineSearch: 9 16:52:20 -108.039523 0.000510 LBFGSLineSearch: 10 16:52:23 -108.039523 0.000520 LBFGSLineSearch: 11 16:52:25 -108.039523 0.000442 LBFGSLineSearch: 12 16:52:29 -108.039523 0.000495 LBFGSLineSearch: 13 16:52:30 -108.039523 0.000188 LBFGSLineSearch: 14 16:52:33 -108.039523 0.000170 LBFGSLineSearch: 15 16:52:37 -108.039523 0.000125 LBFGSLineSearch: 16 16:52:40 -108.039523 0.000042 LBFGSLineSearch: 17 16:52:43 -108.039523 0.000037 LBFGSLineSearch: 18 16:52:45 -108.039523 0.000034 LBFGSLineSearch: 19 16:52:49 -108.039523 0.000020 LBFGSLineSearch: 20 16:52:52 -108.039523 0.000004 Minimization converged after 20 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:02 -107.885237 0.011024 LBFGSLineSearch: 1 16:53:06 -107.885272 0.002231 LBFGSLineSearch: 2 16:53:09 -107.885274 0.001107 LBFGSLineSearch: 3 16:53:12 -107.885274 0.001040 LBFGSLineSearch: 4 16:53:15 -107.885274 0.000768 LBFGSLineSearch: 5 16:53:16 -107.885274 0.000462 LBFGSLineSearch: 6 16:53:19 -107.885275 0.000505 LBFGSLineSearch: 7 16:53:23 -107.885275 0.000589 LBFGSLineSearch: 8 16:53:26 -107.885275 0.000517 LBFGSLineSearch: 9 16:53:30 -107.885275 0.000603 LBFGSLineSearch: 10 16:53:33 -107.885275 0.000392 LBFGSLineSearch: 11 16:53:36 -107.885275 0.000656 LBFGSLineSearch: 12 16:53:39 -107.885275 0.000290 LBFGSLineSearch: 13 16:53:42 -107.885275 0.000197 LBFGSLineSearch: 14 16:53:45 -107.885275 0.000056 LBFGSLineSearch: 15 16:53:48 -107.885275 0.000047 LBFGSLineSearch: 16 16:53:49 -107.885275 0.000042 LBFGSLineSearch: 17 16:53:50 -107.885275 0.000022 LBFGSLineSearch: 18 16:53:53 -107.885275 0.000008 Minimization converged after 18 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:05 -107.712181 0.012368 LBFGSLineSearch: 1 16:54:07 -107.712225 0.002503 LBFGSLineSearch: 2 16:54:08 -107.712227 0.001262 LBFGSLineSearch: 3 16:54:09 -107.712228 0.001157 LBFGSLineSearch: 4 16:54:12 -107.712228 0.000854 LBFGSLineSearch: 5 16:54:15 -107.712228 0.000514 LBFGSLineSearch: 6 16:54:17 -107.712228 0.000563 LBFGSLineSearch: 7 16:54:20 -107.712228 0.000653 LBFGSLineSearch: 8 16:54:24 -107.712228 0.000576 LBFGSLineSearch: 9 16:54:28 -107.712229 0.000666 LBFGSLineSearch: 10 16:54:31 -107.712229 0.000490 LBFGSLineSearch: 11 16:54:33 -107.712229 0.000537 LBFGSLineSearch: 12 16:54:36 -107.712229 0.000663 LBFGSLineSearch: 13 16:54:41 -107.712229 0.000267 LBFGSLineSearch: 14 16:54:44 -107.712229 0.000055 LBFGSLineSearch: 15 16:54:48 -107.712229 0.000048 LBFGSLineSearch: 16 16:54:51 -107.712229 0.000047 LBFGSLineSearch: 17 16:54:54 -107.712229 0.000025 LBFGSLineSearch: 18 16:54:58 -107.712229 0.000031 LBFGSLineSearch: 19 16:55:01 -107.712229 0.000005 Minimization converged after 19 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:12 -107.518045 0.013876 LBFGSLineSearch: 1 16:55:16 -107.518101 0.002796 LBFGSLineSearch: 2 16:55:19 -107.518103 0.001385 LBFGSLineSearch: 3 16:55:22 -107.518103 0.001292 LBFGSLineSearch: 4 16:55:26 -107.518104 0.000956 LBFGSLineSearch: 5 16:55:29 -107.518104 0.000572 LBFGSLineSearch: 6 16:55:31 -107.518104 0.000624 LBFGSLineSearch: 7 16:55:32 -107.518104 0.000723 LBFGSLineSearch: 8 16:55:37 -107.518105 0.000636 LBFGSLineSearch: 9 16:55:44 -107.518105 0.000738 LBFGSLineSearch: 10 16:55:46 -107.518105 0.000559 LBFGSLineSearch: 11 16:55:48 -107.518105 0.000796 LBFGSLineSearch: 12 16:55:50 -107.518105 0.000343 LBFGSLineSearch: 13 16:55:53 -107.518105 0.000064 LBFGSLineSearch: 14 16:55:56 -107.518105 0.000065 LBFGSLineSearch: 15 16:55:59 -107.518105 0.000059 LBFGSLineSearch: 16 16:56:00 -107.518105 0.000052 LBFGSLineSearch: 17 16:56:01 -107.518105 0.000040 LBFGSLineSearch: 18 16:56:05 -107.518105 0.000029 LBFGSLineSearch: 19 16:56:09 -107.518105 0.000031 LBFGSLineSearch: 20 16:56:12 -107.518105 0.000006 Minimization converged after 20 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:21 -107.300276 0.015565 LBFGSLineSearch: 1 16:56:26 -107.300346 0.003129 LBFGSLineSearch: 2 16:56:28 -107.300349 0.001549 LBFGSLineSearch: 3 16:56:30 -107.300350 0.001438 LBFGSLineSearch: 4 16:56:33 -107.300350 0.001064 LBFGSLineSearch: 5 16:56:35 -107.300351 0.000635 LBFGSLineSearch: 6 16:56:37 -107.300351 0.000692 LBFGSLineSearch: 7 16:56:39 -107.300351 0.000799 LBFGSLineSearch: 8 16:56:41 -107.300351 0.000705 LBFGSLineSearch: 9 16:56:45 -107.300351 0.000815 LBFGSLineSearch: 10 16:56:49 -107.300352 0.000606 LBFGSLineSearch: 11 16:56:52 -107.300352 0.000889 LBFGSLineSearch: 12 16:56:54 -107.300352 0.000380 LBFGSLineSearch: 13 16:56:56 -107.300352 0.000071 LBFGSLineSearch: 14 16:56:57 -107.300352 0.000062 LBFGSLineSearch: 15 16:56:59 -107.300352 0.000065 LBFGSLineSearch: 16 16:57:03 -107.300352 0.000057 LBFGSLineSearch: 17 16:57:04 -107.300352 0.000038 LBFGSLineSearch: 18 16:57:07 -107.300352 0.000029 LBFGSLineSearch: 19 16:57:08 -107.300352 0.000023 LBFGSLineSearch: 20 16:57:08 -107.300352 0.000007 Minimization converged after 20 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:18 -107.056017 0.017459 LBFGSLineSearch: 1 16:57:20 -107.056104 0.003500 LBFGSLineSearch: 2 16:57:23 -107.056108 0.001729 LBFGSLineSearch: 3 16:57:26 -107.056109 0.001599 LBFGSLineSearch: 4 16:57:28 -107.056109 0.001185 LBFGSLineSearch: 5 16:57:31 -107.056110 0.000705 LBFGSLineSearch: 6 16:57:33 -107.056110 0.000766 LBFGSLineSearch: 7 16:57:34 -107.056110 0.000882 LBFGSLineSearch: 8 16:57:36 -107.056111 0.000779 LBFGSLineSearch: 9 16:57:39 -107.056111 0.000898 LBFGSLineSearch: 10 16:57:41 -107.056111 0.000654 LBFGSLineSearch: 11 16:57:45 -107.056112 0.000980 LBFGSLineSearch: 12 16:57:48 -107.056112 0.000419 LBFGSLineSearch: 13 16:57:52 -107.056112 0.000080 LBFGSLineSearch: 14 16:57:55 -107.056112 0.000076 LBFGSLineSearch: 15 16:57:59 -107.056112 0.000071 LBFGSLineSearch: 16 16:58:02 -107.056112 0.000062 LBFGSLineSearch: 17 16:58:04 -107.056112 0.000041 LBFGSLineSearch: 18 16:58:07 -107.056112 0.000032 LBFGSLineSearch: 19 16:58:09 -107.056112 0.000008 Minimization converged after 19 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:17 -106.782068 0.019582 LBFGSLineSearch: 1 16:58:19 -106.782177 0.003915 LBFGSLineSearch: 2 16:58:20 -106.782182 0.001943 LBFGSLineSearch: 3 16:58:22 -106.782183 0.001774 LBFGSLineSearch: 4 16:58:23 -106.782184 0.001314 LBFGSLineSearch: 5 16:58:25 -106.782184 0.000781 LBFGSLineSearch: 6 16:58:26 -106.782185 0.000847 LBFGSLineSearch: 7 16:58:29 -106.782185 0.000969 LBFGSLineSearch: 8 16:58:31 -106.782185 0.000859 LBFGSLineSearch: 9 16:58:32 -106.782186 0.000987 LBFGSLineSearch: 10 16:58:34 -106.782186 0.000725 LBFGSLineSearch: 11 16:58:36 -106.782186 0.001074 LBFGSLineSearch: 12 16:58:38 -106.782186 0.000460 LBFGSLineSearch: 13 16:58:40 -106.782186 0.000091 LBFGSLineSearch: 14 16:58:41 -106.782186 0.000092 LBFGSLineSearch: 15 16:58:42 -106.782186 0.000079 LBFGSLineSearch: 16 16:58:42 -106.782186 0.000065 LBFGSLineSearch: 17 16:58:43 -106.782186 0.000050 LBFGSLineSearch: 18 16:58:45 -106.782186 0.000036 LBFGSLineSearch: 19 16:58:48 -106.782186 0.000009 Minimization converged after 19 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:57 -106.474849 0.021961 LBFGSLineSearch: 1 16:58:59 -106.474987 0.004374 LBFGSLineSearch: 2 16:59:01 -106.474992 0.002159 LBFGSLineSearch: 3 16:59:03 -106.474994 0.001969 LBFGSLineSearch: 4 16:59:06 -106.474994 0.001461 LBFGSLineSearch: 5 16:59:10 -106.474995 0.000864 LBFGSLineSearch: 6 16:59:12 -106.474995 0.000934 LBFGSLineSearch: 7 16:59:15 -106.474996 0.001064 LBFGSLineSearch: 8 16:59:18 -106.474996 0.000945 LBFGSLineSearch: 9 16:59:20 -106.474997 0.001083 LBFGSLineSearch: 10 16:59:21 -106.474997 0.000816 LBFGSLineSearch: 11 16:59:22 -106.474997 0.001174 LBFGSLineSearch: 12 16:59:24 -106.474998 0.000504 LBFGSLineSearch: 13 16:59:25 -106.474998 0.000102 LBFGSLineSearch: 14 16:59:27 -106.474998 0.000106 LBFGSLineSearch: 15 16:59:28 -106.474998 0.000085 LBFGSLineSearch: 16 16:59:30 -106.474998 0.000076 LBFGSLineSearch: 17 16:59:31 -106.474998 0.000047 LBFGSLineSearch: 18 16:59:33 -106.474998 0.000024 LBFGSLineSearch: 19 16:59:36 -106.474998 0.000010 Minimization converged after 19 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:46 -106.130357 0.024627 LBFGSLineSearch: 1 16:59:50 -106.130529 0.004887 LBFGSLineSearch: 2 16:59:53 -106.130536 0.002408 LBFGSLineSearch: 3 16:59:56 -106.130538 0.002180 LBFGSLineSearch: 4 16:59:58 -106.130539 0.001620 LBFGSLineSearch: 5 16:59:59 -106.130540 0.000954 LBFGSLineSearch: 6 16:59:59 -106.130540 0.001028 LBFGSLineSearch: 7 17:00:02 -106.130541 0.001165 LBFGSLineSearch: 8 17:00:05 -106.130541 0.001038 LBFGSLineSearch: 9 17:00:07 -106.130542 0.001184 LBFGSLineSearch: 10 17:00:09 -106.130542 0.000914 LBFGSLineSearch: 11 17:00:11 -106.130543 0.001271 LBFGSLineSearch: 12 17:00:12 -106.130543 0.000550 LBFGSLineSearch: 13 17:00:14 -106.130543 0.000115 LBFGSLineSearch: 14 17:00:16 -106.130543 0.000117 LBFGSLineSearch: 15 17:00:18 -106.130543 0.000093 LBFGSLineSearch: 16 17:00:21 -106.130543 0.000094 LBFGSLineSearch: 17 17:00:24 -106.130543 0.000055 LBFGSLineSearch: 18 17:00:26 -106.130543 0.000060 LBFGSLineSearch: 19 17:00:27 -106.130543 0.000034 LBFGSLineSearch: 20 17:00:28 -106.130543 0.000011 LBFGSLineSearch: 21 17:00:30 -106.130543 0.000010 LBFGSLineSearch: 22 17:00:33 -106.130543 0.000009 Minimization converged after 22 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:41 -105.744114 0.027611 LBFGSLineSearch: 1 17:00:44 -105.744331 0.005456 LBFGSLineSearch: 2 17:00:47 -105.744340 0.002688 LBFGSLineSearch: 3 17:00:49 -105.744342 0.002409 LBFGSLineSearch: 4 17:00:52 -105.744343 0.001793 LBFGSLineSearch: 5 17:00:54 -105.744344 0.001052 LBFGSLineSearch: 6 17:00:55 -105.744344 0.001129 LBFGSLineSearch: 7 17:00:56 -105.744345 0.001270 LBFGSLineSearch: 8 17:00:58 -105.744346 0.001136 LBFGSLineSearch: 9 17:01:00 -105.744346 0.001290 LBFGSLineSearch: 10 17:01:01 -105.744347 0.001023 LBFGSLineSearch: 11 17:01:02 -105.744347 0.001370 LBFGSLineSearch: 12 17:01:04 -105.744347 0.000597 LBFGSLineSearch: 13 17:01:05 -105.744348 0.000130 LBFGSLineSearch: 14 17:01:06 -105.744348 0.000127 LBFGSLineSearch: 15 17:01:08 -105.744348 0.000103 LBFGSLineSearch: 16 17:01:10 -105.744348 0.000107 LBFGSLineSearch: 17 17:01:12 -105.744348 0.000095 LBFGSLineSearch: 18 17:01:14 -105.744348 0.000061 LBFGSLineSearch: 19 17:01:16 -105.744348 0.000060 LBFGSLineSearch: 20 17:01:20 -105.744348 0.000024 LBFGSLineSearch: 21 17:01:21 -105.744348 0.000017 LBFGSLineSearch: 22 17:01:27 -105.744348 0.000012 LBFGSLineSearch: 23 17:01:30 -105.744348 0.000009 Minimization converged after 23 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:38 -105.311119 0.030954 LBFGSLineSearch: 1 17:01:41 -105.311390 0.006088 LBFGSLineSearch: 2 17:01:46 -105.311401 0.002997 LBFGSLineSearch: 3 17:01:49 -105.311403 0.002657 LBFGSLineSearch: 4 17:01:53 -105.311404 0.001980 LBFGSLineSearch: 5 17:01:56 -105.311406 0.001157 LBFGSLineSearch: 6 17:01:58 -105.311406 0.001236 LBFGSLineSearch: 7 17:02:01 -105.311407 0.001380 LBFGSLineSearch: 8 17:02:04 -105.311408 0.001239 LBFGSLineSearch: 9 17:02:09 -105.311409 0.001400 LBFGSLineSearch: 10 17:02:13 -105.311409 0.001137 LBFGSLineSearch: 11 17:02:18 -105.311410 0.001464 LBFGSLineSearch: 12 17:02:23 -105.311410 0.000643 LBFGSLineSearch: 13 17:02:26 -105.311410 0.000147 LBFGSLineSearch: 14 17:02:30 -105.311410 0.000134 LBFGSLineSearch: 15 17:02:34 -105.311410 0.000114 LBFGSLineSearch: 16 17:02:36 -105.311410 0.000116 LBFGSLineSearch: 17 17:02:38 -105.311410 0.000105 LBFGSLineSearch: 18 17:02:39 -105.311410 0.000072 LBFGSLineSearch: 19 17:02:40 -105.311410 0.000057 LBFGSLineSearch: 20 17:02:41 -105.311410 0.000042 LBFGSLineSearch: 21 17:02:43 -105.311410 0.000015 LBFGSLineSearch: 22 17:02:47 -105.311410 0.000013 LBFGSLineSearch: 23 17:02:52 -105.311410 0.000010 LBFGSLineSearch: 24 17:02:56 -105.311410 0.000001 Minimization converged after 24 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:04 -104.825781 0.034688 LBFGSLineSearch: 1 17:03:08 -104.826120 0.006788 LBFGSLineSearch: 2 17:03:12 -104.826133 0.003333 LBFGSLineSearch: 3 17:03:13 -104.826136 0.002925 LBFGSLineSearch: 4 17:03:14 -104.826138 0.002183 LBFGSLineSearch: 5 17:03:15 -104.826140 0.001270 LBFGSLineSearch: 6 17:03:17 -104.826140 0.001350 LBFGSLineSearch: 7 17:03:18 -104.826141 0.001493 LBFGSLineSearch: 8 17:03:20 -104.826142 0.001346 LBFGSLineSearch: 9 17:03:24 -104.826143 0.001514 LBFGSLineSearch: 10 17:03:28 -104.826144 0.001256 LBFGSLineSearch: 11 17:03:30 -104.826144 0.001552 LBFGSLineSearch: 12 17:03:32 -104.826145 0.000660 LBFGSLineSearch: 13 17:03:33 -104.826145 0.000354 LBFGSLineSearch: 14 17:03:36 -104.826145 0.000152 LBFGSLineSearch: 15 17:03:38 -104.826145 0.000148 LBFGSLineSearch: 16 17:03:40 -104.826145 0.000129 LBFGSLineSearch: 17 17:03:42 -104.826145 0.000122 LBFGSLineSearch: 18 17:03:44 -104.826145 0.000087 LBFGSLineSearch: 19 17:03:44 -104.826145 0.000056 LBFGSLineSearch: 20 17:03:45 -104.826145 0.000058 LBFGSLineSearch: 21 17:03:47 -104.826145 0.000022 LBFGSLineSearch: 22 17:03:48 -104.826145 0.000015 LBFGSLineSearch: 23 17:03:49 -104.826145 0.000012 LBFGSLineSearch: 24 17:03:51 -104.826145 0.000009 Minimization converged after 24 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:57 -104.281860 0.038885 LBFGSLineSearch: 1 17:04:01 -104.282283 0.007554 LBFGSLineSearch: 2 17:04:03 -104.282300 0.003694 LBFGSLineSearch: 3 17:04:04 -104.282304 0.003211 LBFGSLineSearch: 4 17:04:05 -104.282305 0.002402 LBFGSLineSearch: 5 17:04:06 -104.282308 0.001391 LBFGSLineSearch: 6 17:04:06 -104.282309 0.001470 LBFGSLineSearch: 7 17:04:08 -104.282309 0.001608 LBFGSLineSearch: 8 17:04:09 -104.282311 0.001454 LBFGSLineSearch: 9 17:04:12 -104.282312 0.001633 LBFGSLineSearch: 10 17:04:14 -104.282312 0.001355 LBFGSLineSearch: 11 17:04:17 -104.282313 0.001667 LBFGSLineSearch: 12 17:04:19 -104.282314 0.000689 LBFGSLineSearch: 13 17:04:20 -104.282314 0.000484 LBFGSLineSearch: 14 17:04:22 -104.282314 0.000192 LBFGSLineSearch: 15 17:04:23 -104.282314 0.000162 LBFGSLineSearch: 16 17:04:25 -104.282314 0.000145 LBFGSLineSearch: 17 17:04:26 -104.282314 0.000136 LBFGSLineSearch: 18 17:04:28 -104.282314 0.000122 LBFGSLineSearch: 19 17:04:29 -104.282314 0.000085 LBFGSLineSearch: 20 17:04:31 -104.282314 0.000060 LBFGSLineSearch: 21 17:04:32 -104.282314 0.000065 LBFGSLineSearch: 22 17:04:34 -104.282314 0.000018 LBFGSLineSearch: 23 17:04:35 -104.282314 0.000016 LBFGSLineSearch: 24 17:04:36 -104.282314 0.000013 LBFGSLineSearch: 25 17:04:39 -104.282314 0.000012 LBFGSLineSearch: 26 17:04:41 -104.282314 0.000000 Minimization converged after 26 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:48 -103.672392 0.043566 LBFGSLineSearch: 1 17:04:50 -103.672921 0.008422 LBFGSLineSearch: 2 17:04:50 -103.672942 0.004139 LBFGSLineSearch: 3 17:04:53 -103.672947 0.003507 LBFGSLineSearch: 4 17:04:56 -103.672949 0.002630 LBFGSLineSearch: 5 17:04:58 -103.672951 0.001519 LBFGSLineSearch: 6 17:05:00 -103.672952 0.001592 LBFGSLineSearch: 7 17:05:03 -103.672953 0.001720 LBFGSLineSearch: 8 17:05:07 -103.672955 0.001569 LBFGSLineSearch: 9 17:05:09 -103.672956 0.001744 LBFGSLineSearch: 10 17:05:12 -103.672957 0.001509 LBFGSLineSearch: 11 17:05:12 -103.672957 0.001685 LBFGSLineSearch: 12 17:05:13 -103.672958 0.000670 LBFGSLineSearch: 13 17:05:14 -103.672958 0.000597 LBFGSLineSearch: 14 17:05:15 -103.672958 0.000184 LBFGSLineSearch: 15 17:05:17 -103.672958 0.000163 LBFGSLineSearch: 16 17:05:19 -103.672958 0.000082 LBFGSLineSearch: 17 17:05:21 -103.672958 0.000076 LBFGSLineSearch: 18 17:05:24 -103.672958 0.000067 LBFGSLineSearch: 19 17:05:26 -103.672958 0.000048 LBFGSLineSearch: 20 17:05:28 -103.672958 0.000019 LBFGSLineSearch: 21 17:05:31 -103.672958 0.000019 LBFGSLineSearch: 22 17:05:33 -103.672958 0.000016 LBFGSLineSearch: 23 17:05:35 -103.672958 0.000015 LBFGSLineSearch: 24 17:05:38 -103.672958 0.000000 Minimization converged after 24 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:45 -102.989613 0.048810 LBFGSLineSearch: 1 17:05:45 -102.990273 0.009367 LBFGSLineSearch: 2 17:05:45 -102.990299 0.004604 LBFGSLineSearch: 3 17:05:47 -102.990304 0.003821 LBFGSLineSearch: 4 17:05:47 -102.990306 0.002875 LBFGSLineSearch: 5 17:05:49 -102.990310 0.001654 LBFGSLineSearch: 6 17:05:49 -102.990311 0.001720 LBFGSLineSearch: 7 17:05:50 -102.990312 0.001831 LBFGSLineSearch: 8 17:05:52 -102.990313 0.001681 LBFGSLineSearch: 9 17:05:54 -102.990315 0.001858 LBFGSLineSearch: 10 17:05:57 -102.990316 0.001634 LBFGSLineSearch: 11 17:05:58 -102.990317 0.001720 LBFGSLineSearch: 12 17:06:00 -102.990318 0.000662 LBFGSLineSearch: 13 17:06:01 -102.990318 0.000532 LBFGSLineSearch: 14 17:06:03 -102.990318 0.000411 LBFGSLineSearch: 15 17:06:05 -102.990318 0.000207 LBFGSLineSearch: 16 17:06:06 -102.990318 0.000198 LBFGSLineSearch: 17 17:06:07 -102.990318 0.000183 LBFGSLineSearch: 18 17:06:08 -102.990318 0.000167 LBFGSLineSearch: 19 17:06:09 -102.990318 0.000151 LBFGSLineSearch: 20 17:06:10 -102.990318 0.000121 LBFGSLineSearch: 21 17:06:11 -102.990318 0.000074 LBFGSLineSearch: 22 17:06:12 -102.990318 0.000081 LBFGSLineSearch: 23 17:06:13 -102.990318 0.000022 LBFGSLineSearch: 24 17:06:13 -102.990318 0.000019 LBFGSLineSearch: 25 17:06:14 -102.990318 0.000015 LBFGSLineSearch: 26 17:06:15 -102.990318 0.000011 LBFGSLineSearch: 27 17:06:16 -102.990318 0.000000 Minimization converged after 27 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:22 -102.224867 0.054675 LBFGSLineSearch: 1 17:06:24 -102.225690 0.010409 LBFGSLineSearch: 2 17:06:25 -102.225722 0.005119 LBFGSLineSearch: 3 17:06:27 -102.225728 0.004145 LBFGSLineSearch: 4 17:06:27 -102.225731 0.003133 LBFGSLineSearch: 5 17:06:28 -102.225735 0.001795 LBFGSLineSearch: 6 17:06:29 -102.225736 0.001855 LBFGSLineSearch: 7 17:06:30 -102.225737 0.001936 LBFGSLineSearch: 8 17:06:31 -102.225739 0.001804 LBFGSLineSearch: 9 17:06:33 -102.225741 0.001967 LBFGSLineSearch: 10 17:06:36 -102.225742 0.001755 LBFGSLineSearch: 11 17:06:39 -102.225743 0.001728 LBFGSLineSearch: 12 17:06:42 -102.225744 0.000639 LBFGSLineSearch: 13 17:06:44 -102.225744 0.000520 LBFGSLineSearch: 14 17:06:44 -102.225744 0.000446 LBFGSLineSearch: 15 17:06:45 -102.225744 0.000227 LBFGSLineSearch: 16 17:06:46 -102.225744 0.000218 LBFGSLineSearch: 17 17:06:46 -102.225744 0.000202 LBFGSLineSearch: 18 17:06:48 -102.225744 0.000186 LBFGSLineSearch: 19 17:06:50 -102.225744 0.000169 LBFGSLineSearch: 20 17:06:51 -102.225744 0.000123 LBFGSLineSearch: 21 17:06:53 -102.225744 0.000081 LBFGSLineSearch: 22 17:06:54 -102.225744 0.000076 LBFGSLineSearch: 23 17:06:55 -102.225744 0.000028 LBFGSLineSearch: 24 17:06:56 -102.225744 0.000022 LBFGSLineSearch: 25 17:06:56 -102.225744 0.000017 LBFGSLineSearch: 26 17:06:58 -102.225744 0.000014 LBFGSLineSearch: 27 17:07:00 -102.225744 0.000000 Minimization converged after 27 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:06 -101.368519 0.061230 LBFGSLineSearch: 1 17:07:06 -101.369543 0.011554 LBFGSLineSearch: 2 17:07:07 -101.369582 0.005688 LBFGSLineSearch: 3 17:07:08 -101.369589 0.004473 LBFGSLineSearch: 4 17:07:08 -101.369593 0.003401 LBFGSLineSearch: 5 17:07:09 -101.369597 0.001944 LBFGSLineSearch: 6 17:07:11 -101.369599 0.002005 LBFGSLineSearch: 7 17:07:12 -101.369600 0.002032 LBFGSLineSearch: 8 17:07:13 -101.369602 0.001933 LBFGSLineSearch: 9 17:07:15 -101.369604 0.002070 LBFGSLineSearch: 10 17:07:16 -101.369605 0.001869 LBFGSLineSearch: 11 17:07:16 -101.369606 0.001707 LBFGSLineSearch: 12 17:07:17 -101.369607 0.000596 LBFGSLineSearch: 13 17:07:18 -101.369607 0.000529 LBFGSLineSearch: 14 17:07:18 -101.369607 0.000370 LBFGSLineSearch: 15 17:07:19 -101.369607 0.000242 LBFGSLineSearch: 16 17:07:19 -101.369607 0.000210 LBFGSLineSearch: 17 17:07:21 -101.369607 0.000113 LBFGSLineSearch: 18 17:07:23 -101.369607 0.000094 LBFGSLineSearch: 19 17:07:24 -101.369607 0.000063 LBFGSLineSearch: 20 17:07:27 -101.369607 0.000026 LBFGSLineSearch: 21 17:07:30 -101.369607 0.000022 LBFGSLineSearch: 22 17:07:30 -101.369607 0.000021 LBFGSLineSearch: 23 17:07:31 -101.369607 0.000000 Minimization converged after 23 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:37 -100.409843 0.068555 LBFGSLineSearch: 1 17:07:38 -100.411116 0.012809 LBFGSLineSearch: 2 17:07:38 -100.411163 0.006317 LBFGSLineSearch: 3 17:07:39 -100.411173 0.004799 LBFGSLineSearch: 4 17:07:39 -100.411177 0.003679 LBFGSLineSearch: 5 17:07:40 -100.411182 0.002098 LBFGSLineSearch: 6 17:07:41 -100.411183 0.002157 LBFGSLineSearch: 7 17:07:43 -100.411185 0.002116 LBFGSLineSearch: 8 17:07:45 -100.411187 0.002060 LBFGSLineSearch: 9 17:07:48 -100.411189 0.002164 LBFGSLineSearch: 10 17:07:49 -100.411191 0.001972 LBFGSLineSearch: 11 17:07:51 -100.411192 0.001663 LBFGSLineSearch: 12 17:07:52 -100.411193 0.000533 LBFGSLineSearch: 13 17:07:53 -100.411193 0.000488 LBFGSLineSearch: 14 17:07:54 -100.411193 0.000274 LBFGSLineSearch: 15 17:07:55 -100.411193 0.000263 LBFGSLineSearch: 16 17:07:56 -100.411193 0.000230 LBFGSLineSearch: 17 17:07:56 -100.411193 0.000119 LBFGSLineSearch: 18 17:07:59 -100.411193 0.000121 LBFGSLineSearch: 19 17:08:00 -100.411193 0.000046 LBFGSLineSearch: 20 17:08:02 -100.411193 0.000031 LBFGSLineSearch: 21 17:08:04 -100.411193 0.000024 LBFGSLineSearch: 22 17:08:05 -100.411193 0.000000 Minimization converged after 22 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:12 -99.336918 0.076734 LBFGSLineSearch: 1 17:08:13 -99.338499 0.014182 LBFGSLineSearch: 2 17:08:15 -99.338556 0.007012 LBFGSLineSearch: 3 17:08:16 -99.338568 0.005113 LBFGSLineSearch: 4 17:08:17 -99.338572 0.003963 LBFGSLineSearch: 5 17:08:18 -99.338579 0.002258 LBFGSLineSearch: 6 17:08:19 -99.338580 0.002672 LBFGSLineSearch: 7 17:08:20 -99.338584 0.002131 LBFGSLineSearch: 8 17:08:21 -99.338585 0.002291 LBFGSLineSearch: 9 17:08:24 -99.338586 0.002227 LBFGSLineSearch: 10 17:08:26 -99.338589 0.001531 LBFGSLineSearch: 11 17:08:28 -99.338590 0.000989 LBFGSLineSearch: 12 17:08:28 -99.338590 0.000589 LBFGSLineSearch: 13 17:08:29 -99.338591 0.000372 LBFGSLineSearch: 14 17:08:30 -99.338591 0.000291 LBFGSLineSearch: 15 17:08:32 -99.338591 0.000252 LBFGSLineSearch: 16 17:08:33 -99.338591 0.000251 LBFGSLineSearch: 17 17:08:35 -99.338591 0.000235 LBFGSLineSearch: 18 17:08:36 -99.338591 0.000114 LBFGSLineSearch: 19 17:08:38 -99.338591 0.000050 LBFGSLineSearch: 20 17:08:40 -99.338591 0.000034 LBFGSLineSearch: 21 17:08:43 -99.338591 0.000032 LBFGSLineSearch: 22 17:08:46 -99.338591 0.000025 LBFGSLineSearch: 23 17:08:47 -99.338591 0.000000 Minimization converged after 23 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:53 -98.136501 0.085864 LBFGSLineSearch: 1 17:08:56 -98.138462 0.015682 LBFGSLineSearch: 2 17:08:59 -98.138532 0.007783 LBFGSLineSearch: 3 17:09:01 -98.138545 0.005407 LBFGSLineSearch: 4 17:09:01 -98.138550 0.004250 LBFGSLineSearch: 5 17:09:03 -98.138558 0.002426 LBFGSLineSearch: 6 17:09:03 -98.138559 0.002858 LBFGSLineSearch: 7 17:09:06 -98.138563 0.002311 LBFGSLineSearch: 8 17:09:10 -98.138566 0.002385 LBFGSLineSearch: 9 17:09:11 -98.138567 0.002020 LBFGSLineSearch: 10 17:09:12 -98.138568 0.002108 LBFGSLineSearch: 11 17:09:14 -98.138569 0.001645 LBFGSLineSearch: 12 17:09:15 -98.138570 0.000461 LBFGSLineSearch: 13 17:09:17 -98.138570 0.000316 LBFGSLineSearch: 14 17:09:19 -98.138570 0.000316 LBFGSLineSearch: 15 17:09:20 -98.138570 0.000223 LBFGSLineSearch: 16 17:09:22 -98.138570 0.000216 LBFGSLineSearch: 17 17:09:24 -98.138570 0.000141 LBFGSLineSearch: 18 17:09:25 -98.138570 0.000044 LBFGSLineSearch: 19 17:09:26 -98.138570 0.000036 LBFGSLineSearch: 20 17:09:28 -98.138570 0.000029 LBFGSLineSearch: 21 17:09:31 -98.138570 0.000028 LBFGSLineSearch: 22 17:09:34 -98.138570 0.000000 Minimization converged after 22 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:40 -96.793901 0.096048 LBFGSLineSearch: 1 17:09:43 -96.796326 0.017314 LBFGSLineSearch: 2 17:09:44 -96.796411 0.008634 LBFGSLineSearch: 3 17:09:45 -96.796427 0.005672 LBFGSLineSearch: 4 17:09:46 -96.796433 0.004540 LBFGSLineSearch: 5 17:09:47 -96.796441 0.002601 LBFGSLineSearch: 6 17:09:49 -96.796443 0.003012 LBFGSLineSearch: 7 17:09:51 -96.796447 0.002419 LBFGSLineSearch: 8 17:09:55 -96.796450 0.002438 LBFGSLineSearch: 9 17:09:57 -96.796451 0.002070 LBFGSLineSearch: 10 17:09:58 -96.796452 0.001586 LBFGSLineSearch: 11 17:10:01 -96.796453 0.001501 LBFGSLineSearch: 12 17:10:04 -96.796454 0.001545 LBFGSLineSearch: 13 17:10:07 -96.796455 0.000560 LBFGSLineSearch: 14 17:10:09 -96.796455 0.000390 LBFGSLineSearch: 15 17:10:09 -96.796455 0.000345 LBFGSLineSearch: 16 17:10:10 -96.796455 0.000275 LBFGSLineSearch: 17 17:10:11 -96.796455 0.000233 LBFGSLineSearch: 18 17:10:12 -96.796455 0.000131 LBFGSLineSearch: 19 17:10:13 -96.796455 0.000110 LBFGSLineSearch: 20 17:10:15 -96.796455 0.000099 LBFGSLineSearch: 21 17:10:17 -96.796455 0.000055 LBFGSLineSearch: 22 17:10:20 -96.796455 0.000037 LBFGSLineSearch: 23 17:10:23 -96.796455 0.000030 LBFGSLineSearch: 24 17:10:25 -96.796455 0.000027 LBFGSLineSearch: 25 17:10:28 -96.796455 0.000000 Minimization converged after 25 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:35 -95.292828 0.107402 LBFGSLineSearch: 1 17:10:37 -95.295824 0.019086 LBFGSLineSearch: 2 17:10:38 -95.295926 0.009576 LBFGSLineSearch: 3 17:10:42 -95.295946 0.005901 LBFGSLineSearch: 4 17:10:45 -95.295952 0.004830 LBFGSLineSearch: 5 17:10:48 -95.295961 0.002790 LBFGSLineSearch: 6 17:10:49 -95.295964 0.003015 LBFGSLineSearch: 7 17:10:51 -95.295967 0.002511 LBFGSLineSearch: 8 17:10:53 -95.295970 0.002474 LBFGSLineSearch: 9 17:10:55 -95.295972 0.002101 LBFGSLineSearch: 10 17:10:56 -95.295973 0.001868 LBFGSLineSearch: 11 17:10:57 -95.295975 0.000916 LBFGSLineSearch: 12 17:10:57 -95.295975 0.000596 LBFGSLineSearch: 13 17:10:59 -95.295975 0.000396 LBFGSLineSearch: 14 17:11:01 -95.295975 0.000397 LBFGSLineSearch: 15 17:11:03 -95.295975 0.000327 LBFGSLineSearch: 16 17:11:06 -95.295976 0.000140 LBFGSLineSearch: 17 17:11:09 -95.295976 0.000150 LBFGSLineSearch: 18 17:11:10 -95.295976 0.000051 LBFGSLineSearch: 19 17:11:11 -95.295976 0.000040 LBFGSLineSearch: 20 17:11:12 -95.295976 0.000033 LBFGSLineSearch: 21 17:11:14 -95.295976 0.000001 Minimization converged after 21 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:22 -93.615250 0.120052 LBFGSLineSearch: 1 17:11:24 -93.618944 0.021004 LBFGSLineSearch: 2 17:11:25 -93.619067 0.010614 LBFGSLineSearch: 3 17:11:27 -93.619090 0.006095 LBFGSLineSearch: 4 17:11:30 -93.619096 0.005119 LBFGSLineSearch: 5 17:11:34 -93.619107 0.003106 LBFGSLineSearch: 6 17:11:37 -93.619111 0.002405 LBFGSLineSearch: 7 17:11:39 -93.619113 0.002541 LBFGSLineSearch: 8 17:11:41 -93.619114 0.002561 LBFGSLineSearch: 9 17:11:45 -93.619115 0.002460 LBFGSLineSearch: 10 17:11:46 -93.619117 0.002288 LBFGSLineSearch: 11 17:11:47 -93.619120 0.001878 LBFGSLineSearch: 12 17:11:48 -93.619121 0.000945 LBFGSLineSearch: 13 17:11:48 -93.619122 0.000549 LBFGSLineSearch: 14 17:11:49 -93.619122 0.000439 LBFGSLineSearch: 15 17:11:49 -93.619122 0.000417 LBFGSLineSearch: 16 17:11:50 -93.619122 0.000323 LBFGSLineSearch: 17 17:11:50 -93.619122 0.000311 LBFGSLineSearch: 18 17:11:51 -93.619122 0.000122 LBFGSLineSearch: 19 17:11:53 -93.619122 0.000126 LBFGSLineSearch: 20 17:11:54 -93.619122 0.000039 LBFGSLineSearch: 21 17:11:54 -93.619122 0.000045 LBFGSLineSearch: 22 17:11:57 -93.619122 0.000032 LBFGSLineSearch: 23 17:11:59 -93.619122 0.000000 Minimization converged after 23 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:06 -91.741226 0.134135 LBFGSLineSearch: 1 17:12:07 -91.745771 0.023078 LBFGSLineSearch: 2 17:12:07 -91.745917 0.011771 LBFGSLineSearch: 3 17:12:08 -91.745944 0.006258 LBFGSLineSearch: 4 17:12:08 -91.745951 0.005413 LBFGSLineSearch: 5 17:12:10 -91.745963 0.003451 LBFGSLineSearch: 6 17:12:12 -91.745968 0.002161 LBFGSLineSearch: 7 17:12:15 -91.745970 0.002615 LBFGSLineSearch: 8 17:12:17 -91.745971 0.002792 LBFGSLineSearch: 9 17:12:18 -91.745973 0.002364 LBFGSLineSearch: 10 17:12:22 -91.745976 0.002082 LBFGSLineSearch: 11 17:12:26 -91.745977 0.001051 LBFGSLineSearch: 12 17:12:28 -91.745978 0.000889 LBFGSLineSearch: 13 17:12:31 -91.745978 0.000520 LBFGSLineSearch: 14 17:12:31 -91.745978 0.000455 LBFGSLineSearch: 15 17:12:32 -91.745978 0.000448 LBFGSLineSearch: 16 17:12:35 -91.745978 0.000414 LBFGSLineSearch: 17 17:12:37 -91.745978 0.000327 LBFGSLineSearch: 18 17:12:39 -91.745978 0.000129 LBFGSLineSearch: 19 17:12:40 -91.745978 0.000118 LBFGSLineSearch: 20 17:12:41 -91.745978 0.000101 LBFGSLineSearch: 21 17:12:42 -91.745978 0.000057 LBFGSLineSearch: 22 17:12:43 -91.745978 0.000043 LBFGSLineSearch: 23 17:12:44 -91.745978 0.000043 LBFGSLineSearch: 24 17:12:46 -91.745978 0.000031 LBFGSLineSearch: 25 17:12:48 -91.745978 0.000003 Minimization converged after 25 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:55 -89.648731 0.149804 LBFGSLineSearch: 1 17:12:56 -89.654309 0.025311 LBFGSLineSearch: 2 17:13:00 -89.654483 0.013046 LBFGSLineSearch: 3 17:13:03 -89.654515 0.006426 LBFGSLineSearch: 4 17:13:04 -89.654523 0.005743 LBFGSLineSearch: 5 17:13:06 -89.654535 0.003581 LBFGSLineSearch: 6 17:13:09 -89.654541 0.002246 LBFGSLineSearch: 7 17:13:13 -89.654542 0.002654 LBFGSLineSearch: 8 17:13:15 -89.654544 0.002784 LBFGSLineSearch: 9 17:13:16 -89.654545 0.002319 LBFGSLineSearch: 10 17:13:17 -89.654548 0.002113 LBFGSLineSearch: 11 17:13:18 -89.654549 0.001097 LBFGSLineSearch: 12 17:13:19 -89.654550 0.001000 LBFGSLineSearch: 13 17:13:21 -89.654550 0.000555 LBFGSLineSearch: 14 17:13:22 -89.654550 0.000483 LBFGSLineSearch: 15 17:13:25 -89.654550 0.000478 LBFGSLineSearch: 16 17:13:26 -89.654550 0.000446 LBFGSLineSearch: 17 17:13:28 -89.654550 0.000343 LBFGSLineSearch: 18 17:13:29 -89.654550 0.000137 LBFGSLineSearch: 19 17:13:30 -89.654550 0.000119 LBFGSLineSearch: 20 17:13:31 -89.654550 0.000099 LBFGSLineSearch: 21 17:13:32 -89.654550 0.000054 LBFGSLineSearch: 22 17:13:35 -89.654550 0.000048 LBFGSLineSearch: 23 17:13:38 -89.654550 0.000036 LBFGSLineSearch: 24 17:13:41 -89.654550 0.000031 LBFGSLineSearch: 25 17:13:43 -89.654550 0.000000 Minimization converged after 25 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:51 -87.313470 0.167220 LBFGSLineSearch: 1 17:13:54 -87.320301 0.027713 LBFGSLineSearch: 2 17:13:57 -87.320507 0.014458 LBFGSLineSearch: 3 17:13:58 -87.320543 0.006643 LBFGSLineSearch: 4 17:13:59 -87.320552 0.006138 LBFGSLineSearch: 5 17:14:01 -87.320565 0.003684 LBFGSLineSearch: 6 17:14:04 -87.320571 0.002276 LBFGSLineSearch: 7 17:14:06 -87.320573 0.002659 LBFGSLineSearch: 8 17:14:10 -87.320574 0.002765 LBFGSLineSearch: 9 17:14:12 -87.320576 0.002249 LBFGSLineSearch: 10 17:14:14 -87.320578 0.002086 LBFGSLineSearch: 11 17:14:15 -87.320580 0.001113 LBFGSLineSearch: 12 17:14:16 -87.320580 0.001066 LBFGSLineSearch: 13 17:14:20 -87.320581 0.000564 LBFGSLineSearch: 14 17:14:22 -87.320581 0.000510 LBFGSLineSearch: 15 17:14:23 -87.320581 0.000505 LBFGSLineSearch: 16 17:14:26 -87.320581 0.000475 LBFGSLineSearch: 17 17:14:28 -87.320581 0.000356 LBFGSLineSearch: 18 17:14:31 -87.320581 0.000148 LBFGSLineSearch: 19 17:14:34 -87.320581 0.000119 LBFGSLineSearch: 20 17:14:37 -87.320581 0.000093 LBFGSLineSearch: 21 17:14:41 -87.320581 0.000056 LBFGSLineSearch: 22 17:14:42 -87.320581 0.000048 LBFGSLineSearch: 23 17:14:44 -87.320581 0.000031 LBFGSLineSearch: 24 17:14:46 -87.320581 0.000000 Minimization converged after 24 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:53 -84.708685 0.186564 LBFGSLineSearch: 1 17:14:55 -84.717029 0.030288 LBFGSLineSearch: 2 17:14:56 -84.717272 0.015650 LBFGSLineSearch: 3 17:14:57 -84.717313 0.007003 LBFGSLineSearch: 4 17:14:59 -84.717323 0.006547 LBFGSLineSearch: 5 17:15:00 -84.717337 0.003794 LBFGSLineSearch: 6 17:15:03 -84.717343 0.002246 LBFGSLineSearch: 7 17:15:05 -84.717345 0.002627 LBFGSLineSearch: 8 17:15:08 -84.717346 0.002730 LBFGSLineSearch: 9 17:15:09 -84.717347 0.002153 LBFGSLineSearch: 10 17:15:13 -84.717349 0.002010 LBFGSLineSearch: 11 17:15:19 -84.717351 0.001096 LBFGSLineSearch: 12 17:15:23 -84.717352 0.001101 LBFGSLineSearch: 13 17:15:25 -84.717352 0.000576 LBFGSLineSearch: 14 17:15:28 -84.717352 0.000533 LBFGSLineSearch: 15 17:15:31 -84.717352 0.000530 LBFGSLineSearch: 16 17:15:34 -84.717352 0.000499 LBFGSLineSearch: 17 17:15:36 -84.717352 0.000366 LBFGSLineSearch: 18 17:15:38 -84.717352 0.000157 LBFGSLineSearch: 19 17:15:39 -84.717352 0.000118 LBFGSLineSearch: 20 17:15:41 -84.717352 0.000085 LBFGSLineSearch: 21 17:15:43 -84.717352 0.000055 LBFGSLineSearch: 22 17:15:45 -84.717352 0.000050 LBFGSLineSearch: 23 17:15:46 -84.717352 0.000027 LBFGSLineSearch: 24 17:15:47 -84.717352 0.000000 Minimization converged after 24 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:54 -81.804943 0.208029 LBFGSLineSearch: 1 17:15:58 -81.815108 0.033042 LBFGSLineSearch: 2 17:16:01 -81.815397 0.016940 LBFGSLineSearch: 3 17:16:03 -81.815444 0.007323 LBFGSLineSearch: 4 17:16:06 -81.815456 0.007039 LBFGSLineSearch: 5 17:16:08 -81.815470 0.003900 LBFGSLineSearch: 6 17:16:10 -81.815477 0.002450 LBFGSLineSearch: 7 17:16:11 -81.815479 0.002825 LBFGSLineSearch: 8 17:16:13 -81.815480 0.002909 LBFGSLineSearch: 9 17:16:16 -81.815482 0.002253 LBFGSLineSearch: 10 17:16:19 -81.815484 0.002032 LBFGSLineSearch: 11 17:16:19 -81.815486 0.001196 LBFGSLineSearch: 12 17:16:20 -81.815487 0.001208 LBFGSLineSearch: 13 17:16:21 -81.815487 0.000643 LBFGSLineSearch: 14 17:16:22 -81.815487 0.000610 LBFGSLineSearch: 15 17:16:24 -81.815487 0.000607 LBFGSLineSearch: 16 17:16:27 -81.815487 0.000571 LBFGSLineSearch: 17 17:16:30 -81.815487 0.000410 LBFGSLineSearch: 18 17:16:34 -81.815487 0.000203 LBFGSLineSearch: 19 17:16:36 -81.815487 0.000129 LBFGSLineSearch: 20 17:16:38 -81.815487 0.000084 LBFGSLineSearch: 21 17:16:40 -81.815487 0.000063 LBFGSLineSearch: 22 17:16:40 -81.815487 0.000057 LBFGSLineSearch: 23 17:16:41 -81.815487 0.000030 LBFGSLineSearch: 24 17:16:42 -81.815487 0.000022 LBFGSLineSearch: 25 17:16:44 -81.815487 0.000000 Minimization converged after 25 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:52 -78.569965 0.231823 LBFGSLineSearch: 1 17:16:53 -78.582323 0.036001 LBFGSLineSearch: 2 17:16:54 -78.582664 0.017982 LBFGSLineSearch: 3 17:16:56 -78.582715 0.007769 LBFGSLineSearch: 4 17:16:58 -78.582728 0.007485 LBFGSLineSearch: 5 17:16:59 -78.582744 0.003948 LBFGSLineSearch: 6 17:17:01 -78.582750 0.002276 LBFGSLineSearch: 7 17:17:03 -78.582752 0.002671 LBFGSLineSearch: 8 17:17:06 -78.582753 0.002746 LBFGSLineSearch: 9 17:17:07 -78.582755 0.002047 LBFGSLineSearch: 10 17:17:08 -78.582757 0.001877 LBFGSLineSearch: 11 17:17:08 -78.582758 0.001064 LBFGSLineSearch: 12 17:17:09 -78.582759 0.001065 LBFGSLineSearch: 13 17:17:11 -78.582759 0.000618 LBFGSLineSearch: 14 17:17:13 -78.582759 0.000619 LBFGSLineSearch: 15 17:17:14 -78.582759 0.000511 LBFGSLineSearch: 16 17:17:15 -78.582759 0.000599 LBFGSLineSearch: 17 17:17:15 -78.582759 0.000168 LBFGSLineSearch: 18 17:17:17 -78.582759 0.000075 LBFGSLineSearch: 19 17:17:20 -78.582759 0.000062 LBFGSLineSearch: 20 17:17:22 -78.582759 0.000013 LBFGSLineSearch: 21 17:17:23 -78.582759 0.000009 Minimization converged after 21 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:31 -74.968299 0.258178 LBFGSLineSearch: 1 17:17:32 -74.983249 0.039081 LBFGSLineSearch: 2 17:17:33 -74.983634 0.019403 LBFGSLineSearch: 3 17:17:34 -74.983691 0.008013 LBFGSLineSearch: 4 17:17:35 -74.983704 0.007677 LBFGSLineSearch: 5 17:17:37 -74.983720 0.003984 LBFGSLineSearch: 6 17:17:37 -74.983727 0.001823 LBFGSLineSearch: 7 17:17:38 -74.983728 0.002170 LBFGSLineSearch: 8 17:17:38 -74.983729 0.002277 LBFGSLineSearch: 9 17:17:40 -74.983730 0.001676 LBFGSLineSearch: 10 17:17:43 -74.983731 0.001447 LBFGSLineSearch: 11 17:17:46 -74.983732 0.001370 LBFGSLineSearch: 12 17:17:47 -74.983733 0.000645 LBFGSLineSearch: 13 17:17:49 -74.983733 0.000533 LBFGSLineSearch: 14 17:17:52 -74.983733 0.000516 LBFGSLineSearch: 15 17:17:56 -74.983733 0.000443 LBFGSLineSearch: 16 17:17:59 -74.983733 0.000246 LBFGSLineSearch: 17 17:18:01 -74.983733 0.000155 LBFGSLineSearch: 18 17:18:03 -74.983733 0.000099 LBFGSLineSearch: 19 17:18:04 -74.983733 0.000051 LBFGSLineSearch: 20 17:18:07 -74.983733 0.000042 LBFGSLineSearch: 21 17:18:10 -74.983733 0.000035 LBFGSLineSearch: 22 17:18:13 -74.983733 0.000000 Minimization converged after 22 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:19 -70.961037 0.287335 LBFGSLineSearch: 1 17:18:21 -70.979089 0.042414 LBFGSLineSearch: 2 17:18:22 -70.979533 0.020820 LBFGSLineSearch: 3 17:18:25 -70.979597 0.008248 LBFGSLineSearch: 4 17:18:28 -70.979611 0.008003 LBFGSLineSearch: 5 17:18:30 -70.979628 0.003999 LBFGSLineSearch: 6 17:18:32 -70.979635 0.001781 LBFGSLineSearch: 7 17:18:34 -70.979636 0.001910 LBFGSLineSearch: 8 17:18:37 -70.979637 0.002028 LBFGSLineSearch: 9 17:18:40 -70.979638 0.001478 LBFGSLineSearch: 10 17:18:42 -70.979638 0.001149 LBFGSLineSearch: 11 17:18:44 -70.979639 0.001033 LBFGSLineSearch: 12 17:18:47 -70.979639 0.001319 LBFGSLineSearch: 13 17:18:48 -70.979640 0.000579 LBFGSLineSearch: 14 17:18:49 -70.979640 0.000487 LBFGSLineSearch: 15 17:18:50 -70.979640 0.000420 LBFGSLineSearch: 16 17:18:51 -70.979640 0.000206 LBFGSLineSearch: 17 17:18:51 -70.979640 0.000177 LBFGSLineSearch: 18 17:18:52 -70.979640 0.000131 LBFGSLineSearch: 19 17:18:53 -70.979640 0.000051 LBFGSLineSearch: 20 17:18:54 -70.979640 0.000044 LBFGSLineSearch: 21 17:18:55 -70.979640 0.000040 LBFGSLineSearch: 22 17:18:56 -70.979640 0.000013 LBFGSLineSearch: 23 17:18:57 -70.979640 0.000000 Minimization converged after 23 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:04 -66.505762 0.319563 LBFGSLineSearch: 1 17:19:05 -66.527516 0.046267 LBFGSLineSearch: 2 17:19:06 -66.528036 0.022150 LBFGSLineSearch: 3 17:19:09 -66.528106 0.008539 LBFGSLineSearch: 4 17:19:10 -66.528122 0.008415 LBFGSLineSearch: 5 17:19:10 -66.528139 0.004030 LBFGSLineSearch: 6 17:19:11 -66.528146 0.002101 LBFGSLineSearch: 7 17:19:13 -66.528147 0.001956 LBFGSLineSearch: 8 17:19:14 -66.528148 0.001759 LBFGSLineSearch: 9 17:19:14 -66.528149 0.001311 LBFGSLineSearch: 10 17:19:15 -66.528149 0.000925 LBFGSLineSearch: 11 17:19:16 -66.528150 0.000862 LBFGSLineSearch: 12 17:19:17 -66.528150 0.001096 LBFGSLineSearch: 13 17:19:19 -66.528150 0.000494 LBFGSLineSearch: 14 17:19:19 -66.528150 0.000385 LBFGSLineSearch: 15 17:19:21 -66.528150 0.000348 LBFGSLineSearch: 16 17:19:22 -66.528151 0.000196 LBFGSLineSearch: 17 17:19:25 -66.528151 0.000177 LBFGSLineSearch: 18 17:19:27 -66.528151 0.000181 LBFGSLineSearch: 19 17:19:28 -66.528151 0.000064 LBFGSLineSearch: 20 17:19:31 -66.528151 0.000039 LBFGSLineSearch: 21 17:19:34 -66.528151 0.000044 LBFGSLineSearch: 22 17:19:35 -66.528151 0.000010 LBFGSLineSearch: 23 17:19:36 -66.528151 0.000000 Minimization converged after 23 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:45 -61.556234 0.355137 LBFGSLineSearch: 1 17:19:47 -61.582316 0.049749 LBFGSLineSearch: 2 17:19:48 -61.582911 0.023795 LBFGSLineSearch: 3 17:19:50 -61.582989 0.008792 LBFGSLineSearch: 4 17:19:51 -61.583006 0.008742 LBFGSLineSearch: 5 17:19:53 -61.583024 0.004139 LBFGSLineSearch: 6 17:19:55 -61.583031 0.002181 LBFGSLineSearch: 7 17:19:56 -61.583032 0.002030 LBFGSLineSearch: 8 17:19:57 -61.583033 0.001638 LBFGSLineSearch: 9 17:19:57 -61.583033 0.001378 LBFGSLineSearch: 10 17:19:58 -61.583034 0.000953 LBFGSLineSearch: 11 17:19:58 -61.583034 0.000745 LBFGSLineSearch: 12 17:19:58 -61.583034 0.001060 LBFGSLineSearch: 13 17:19:58 -61.583035 0.000374 LBFGSLineSearch: 14 17:19:59 -61.583035 0.000313 LBFGSLineSearch: 15 17:19:59 -61.583035 0.000296 LBFGSLineSearch: 16 17:20:00 -61.583035 0.000271 LBFGSLineSearch: 17 17:20:00 -61.583035 0.000251 LBFGSLineSearch: 18 17:20:01 -61.583035 0.000145 LBFGSLineSearch: 19 17:20:01 -61.583035 0.000073 LBFGSLineSearch: 20 17:20:02 -61.583035 0.000048 LBFGSLineSearch: 21 17:20:03 -61.583035 0.000043 LBFGSLineSearch: 22 17:20:04 -61.583035 0.000010 Minimization converged after 22 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:11 -56.061889 0.394373 LBFGSLineSearch: 1 17:20:16 -56.093074 0.053769 LBFGSLineSearch: 2 17:20:20 -56.093741 0.024630 LBFGSLineSearch: 3 17:20:21 -56.093818 0.014775 LBFGSLineSearch: 4 17:20:22 -56.093851 0.007656 LBFGSLineSearch: 5 17:20:26 -56.093866 0.009989 LBFGSLineSearch: 6 17:20:27 -56.093879 0.003701 LBFGSLineSearch: 7 17:20:29 -56.093884 0.003039 LBFGSLineSearch: 8 17:20:30 -56.093886 0.002289 LBFGSLineSearch: 9 17:20:31 -56.093887 0.001475 LBFGSLineSearch: 10 17:20:33 -56.093888 0.001006 LBFGSLineSearch: 11 17:20:34 -56.093888 0.000791 LBFGSLineSearch: 12 17:20:35 -56.093888 0.000986 LBFGSLineSearch: 13 17:20:36 -56.093888 0.000346 LBFGSLineSearch: 14 17:20:37 -56.093888 0.000185 LBFGSLineSearch: 15 17:20:37 -56.093888 0.000166 LBFGSLineSearch: 16 17:20:37 -56.093888 0.000131 LBFGSLineSearch: 17 17:20:37 -56.093888 0.000131 LBFGSLineSearch: 18 17:20:38 -56.093888 0.000094 LBFGSLineSearch: 19 17:20:38 -56.093888 0.000079 LBFGSLineSearch: 20 17:20:39 -56.093888 0.000067 LBFGSLineSearch: 21 17:20:39 -56.093888 0.000047 LBFGSLineSearch: 22 17:20:41 -56.093888 0.000031 LBFGSLineSearch: 23 17:20:43 -56.093888 0.000032 LBFGSLineSearch: 24 17:20:46 -56.093888 0.000013 LBFGSLineSearch: 25 17:20:47 -56.093888 0.000000 Minimization converged after 25 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:55 -49.967788 0.437579 LBFGSLineSearch: 1 17:20:57 -49.997534 0.199687 LBFGSLineSearch: 2 17:20:58 -50.005305 0.043236 LBFGSLineSearch: 3 17:21:02 -50.005813 0.014684 LBFGSLineSearch: 4 17:21:04 -50.005839 0.009152 LBFGSLineSearch: 5 17:21:05 -50.005856 0.007197 LBFGSLineSearch: 6 17:21:07 -50.005865 0.006521 LBFGSLineSearch: 7 17:21:08 -50.005873 0.004153 LBFGSLineSearch: 8 17:21:09 -50.005877 0.003614 LBFGSLineSearch: 9 17:21:11 -50.005879 0.002930 LBFGSLineSearch: 10 17:21:13 -50.005881 0.002943 LBFGSLineSearch: 11 17:21:14 -50.005882 0.001735 LBFGSLineSearch: 12 17:21:15 -50.005882 0.001813 LBFGSLineSearch: 13 17:21:17 -50.005883 0.001655 LBFGSLineSearch: 14 17:21:19 -50.005883 0.000997 LBFGSLineSearch: 15 17:21:20 -50.005884 0.001007 LBFGSLineSearch: 16 17:21:20 -50.005884 0.000558 LBFGSLineSearch: 17 17:21:21 -50.005884 0.000183 LBFGSLineSearch: 18 17:21:21 -50.005884 0.000170 LBFGSLineSearch: 19 17:21:22 -50.005884 0.000186 LBFGSLineSearch: 20 17:21:23 -50.005884 0.000128 LBFGSLineSearch: 21 17:21:24 -50.005884 0.000124 LBFGSLineSearch: 22 17:21:25 -50.005884 0.000114 LBFGSLineSearch: 23 17:21:26 -50.005884 0.000099 LBFGSLineSearch: 24 17:21:27 -50.005884 0.000058 LBFGSLineSearch: 25 17:21:29 -50.005884 0.000043 LBFGSLineSearch: 26 17:21:31 -50.005884 0.000033 LBFGSLineSearch: 27 17:21:32 -50.005884 0.000030 LBFGSLineSearch: 28 17:21:34 -50.005884 0.000022 LBFGSLineSearch: 29 17:21:36 -50.005884 0.000001 Minimization converged after 29 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:43 -43.214266 0.485116 LBFGSLineSearch: 1 17:21:44 -43.250346 0.212074 LBFGSLineSearch: 2 17:21:44 -43.258819 0.046451 LBFGSLineSearch: 3 17:21:45 -43.259390 0.015109 LBFGSLineSearch: 4 17:21:45 -43.259418 0.009248 LBFGSLineSearch: 5 17:21:45 -43.259436 0.007549 LBFGSLineSearch: 6 17:21:46 -43.259447 0.006484 LBFGSLineSearch: 7 17:21:46 -43.259455 0.004358 LBFGSLineSearch: 8 17:21:47 -43.259459 0.003697 LBFGSLineSearch: 9 17:21:47 -43.259462 0.003295 LBFGSLineSearch: 10 17:21:48 -43.259464 0.003094 LBFGSLineSearch: 11 17:21:49 -43.259465 0.001971 LBFGSLineSearch: 12 17:21:50 -43.259465 0.001966 LBFGSLineSearch: 13 17:21:51 -43.259466 0.001778 LBFGSLineSearch: 14 17:21:52 -43.259467 0.001220 LBFGSLineSearch: 15 17:21:53 -43.259467 0.001162 LBFGSLineSearch: 16 17:21:54 -43.259468 0.000669 LBFGSLineSearch: 17 17:21:56 -43.259468 0.000330 LBFGSLineSearch: 18 17:21:57 -43.259468 0.000435 LBFGSLineSearch: 19 17:21:58 -43.259468 0.000302 LBFGSLineSearch: 20 17:21:59 -43.259468 0.000206 LBFGSLineSearch: 21 17:22:00 -43.259468 0.000202 LBFGSLineSearch: 22 17:22:01 -43.259468 0.000195 LBFGSLineSearch: 23 17:22:02 -43.259468 0.000084 LBFGSLineSearch: 24 17:22:03 -43.259468 0.000054 LBFGSLineSearch: 25 17:22:04 -43.259468 0.000045 LBFGSLineSearch: 26 17:22:06 -43.259468 0.000035 LBFGSLineSearch: 27 17:22:08 -43.259468 0.000000 Minimization converged after 27 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:15 -35.736568 0.537350 LBFGSLineSearch: 1 17:22:16 -35.780186 0.223650 LBFGSLineSearch: 2 17:22:18 -35.789284 0.049700 LBFGSLineSearch: 3 17:22:19 -35.789919 0.015463 LBFGSLineSearch: 4 17:22:20 -35.789951 0.009412 LBFGSLineSearch: 5 17:22:21 -35.789969 0.008282 LBFGSLineSearch: 6 17:22:21 -35.789982 0.007192 LBFGSLineSearch: 7 17:22:22 -35.789991 0.004668 LBFGSLineSearch: 8 17:22:22 -35.789995 0.004284 LBFGSLineSearch: 9 17:22:23 -35.789998 0.003916 LBFGSLineSearch: 10 17:22:23 -35.790000 0.003257 LBFGSLineSearch: 11 17:22:25 -35.790002 0.002438 LBFGSLineSearch: 12 17:22:27 -35.790003 0.002149 LBFGSLineSearch: 13 17:22:29 -35.790003 0.002149 LBFGSLineSearch: 14 17:22:31 -35.790005 0.001443 LBFGSLineSearch: 15 17:22:34 -35.790006 0.001308 LBFGSLineSearch: 16 17:22:37 -35.790006 0.000826 LBFGSLineSearch: 17 17:22:38 -35.790006 0.000516 LBFGSLineSearch: 18 17:22:40 -35.790006 0.000609 LBFGSLineSearch: 19 17:22:43 -35.790006 0.000407 LBFGSLineSearch: 20 17:22:46 -35.790006 0.000371 LBFGSLineSearch: 21 17:22:47 -35.790006 0.000257 LBFGSLineSearch: 22 17:22:48 -35.790006 0.000240 LBFGSLineSearch: 23 17:22:49 -35.790007 0.000085 LBFGSLineSearch: 24 17:22:50 -35.790007 0.000058 LBFGSLineSearch: 25 17:22:51 -35.790007 0.000058 LBFGSLineSearch: 26 17:22:52 -35.790007 0.000044 LBFGSLineSearch: 27 17:22:52 -35.790007 0.000018 LBFGSLineSearch: 28 17:22:53 -35.790007 0.000000 Minimization converged after 28 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:00 -27.464497 0.594679 LBFGSLineSearch: 1 17:23:02 -27.517056 0.233965 LBFGSLineSearch: 2 17:23:04 -27.526664 0.052810 LBFGSLineSearch: 3 17:23:07 -27.527363 0.016242 LBFGSLineSearch: 4 17:23:11 -27.527399 0.009676 LBFGSLineSearch: 5 17:23:13 -27.527419 0.009078 LBFGSLineSearch: 6 17:23:14 -27.527434 0.007880 LBFGSLineSearch: 7 17:23:15 -27.527442 0.005157 LBFGSLineSearch: 8 17:23:16 -27.527447 0.005121 LBFGSLineSearch: 9 17:23:17 -27.527451 0.004820 LBFGSLineSearch: 10 17:23:18 -27.527453 0.003906 LBFGSLineSearch: 11 17:23:20 -27.527455 0.002961 LBFGSLineSearch: 12 17:23:21 -27.527456 0.002442 LBFGSLineSearch: 13 17:23:24 -27.527459 0.002266 LBFGSLineSearch: 14 17:23:24 -27.527460 0.001810 LBFGSLineSearch: 15 17:23:25 -27.527461 0.001377 LBFGSLineSearch: 16 17:23:27 -27.527462 0.000745 LBFGSLineSearch: 17 17:23:28 -27.527462 0.000747 LBFGSLineSearch: 18 17:23:29 -27.527462 0.000623 LBFGSLineSearch: 19 17:23:30 -27.527462 0.000566 LBFGSLineSearch: 20 17:23:31 -27.527462 0.000448 LBFGSLineSearch: 21 17:23:32 -27.527462 0.000337 LBFGSLineSearch: 22 17:23:33 -27.527462 0.000114 LBFGSLineSearch: 23 17:23:36 -27.527462 0.000075 LBFGSLineSearch: 24 17:23:38 -27.527462 0.000056 LBFGSLineSearch: 25 17:23:39 -27.527462 0.000016 LBFGSLineSearch: 26 17:23:40 -27.527462 0.000000 Minimization converged after 26 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:47 -18.322137 0.657523 LBFGSLineSearch: 1 17:23:47 -18.385254 0.242439 LBFGSLineSearch: 2 17:23:48 -18.395210 0.056014 LBFGSLineSearch: 3 17:23:50 -18.395976 0.019227 LBFGSLineSearch: 4 17:23:50 -18.396018 0.010023 LBFGSLineSearch: 5 17:23:51 -18.396044 0.012004 LBFGSLineSearch: 6 17:23:52 -18.396064 0.008246 LBFGSLineSearch: 7 17:23:54 -18.396074 0.004436 LBFGSLineSearch: 8 17:23:55 -18.396079 0.004336 LBFGSLineSearch: 9 17:23:55 -18.396082 0.003621 LBFGSLineSearch: 10 17:23:56 -18.396087 0.002733 LBFGSLineSearch: 11 17:23:57 -18.396089 0.001839 LBFGSLineSearch: 12 17:23:59 -18.396090 0.001232 LBFGSLineSearch: 13 17:24:02 -18.396090 0.001087 LBFGSLineSearch: 14 17:24:03 -18.396091 0.000940 LBFGSLineSearch: 15 17:24:04 -18.396091 0.000786 LBFGSLineSearch: 16 17:24:05 -18.396091 0.000676 LBFGSLineSearch: 17 17:24:06 -18.396091 0.000551 LBFGSLineSearch: 18 17:24:06 -18.396091 0.000201 LBFGSLineSearch: 19 17:24:08 -18.396091 0.000090 LBFGSLineSearch: 20 17:24:09 -18.396091 0.000082 LBFGSLineSearch: 21 17:24:11 -18.396091 0.000072 LBFGSLineSearch: 22 17:24:13 -18.396091 0.000009 Minimization converged after 22 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:19 -8.227506 0.726333 LBFGSLineSearch: 1 17:24:20 -8.303018 0.248355 LBFGSLineSearch: 2 17:24:22 -8.313104 0.059862 LBFGSLineSearch: 3 17:24:23 -8.313939 0.022864 LBFGSLineSearch: 4 17:24:24 -8.313989 0.011457 LBFGSLineSearch: 5 17:24:25 -8.314018 0.013184 LBFGSLineSearch: 6 17:24:25 -8.314041 0.009400 LBFGSLineSearch: 7 17:24:26 -8.314054 0.004688 LBFGSLineSearch: 8 17:24:28 -8.314060 0.004595 LBFGSLineSearch: 9 17:24:29 -8.314065 0.004955 LBFGSLineSearch: 10 17:24:31 -8.314071 0.003864 LBFGSLineSearch: 11 17:24:32 -8.314075 0.002229 LBFGSLineSearch: 12 17:24:34 -8.314076 0.001367 LBFGSLineSearch: 13 17:24:35 -8.314076 0.001348 LBFGSLineSearch: 14 17:24:35 -8.314077 0.001076 LBFGSLineSearch: 15 17:24:37 -8.314077 0.000879 LBFGSLineSearch: 16 17:24:39 -8.314077 0.000843 LBFGSLineSearch: 17 17:24:39 -8.314077 0.000668 LBFGSLineSearch: 18 17:24:40 -8.314078 0.000161 LBFGSLineSearch: 19 17:24:40 -8.314078 0.000106 LBFGSLineSearch: 20 17:24:41 -8.314078 0.000091 LBFGSLineSearch: 21 17:24:41 -8.314078 0.000076 LBFGSLineSearch: 22 17:24:42 -8.314078 0.000011 LBFGSLineSearch: 23 17:24:43 -8.314078 0.000000 Minimization converged after 23 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:49 2.907850 0.801566 LBFGSLineSearch: 1 17:24:50 2.817868 0.250839 LBFGSLineSearch: 2 17:24:50 2.807925 0.064262 LBFGSLineSearch: 3 17:24:51 2.807017 0.027309 LBFGSLineSearch: 4 17:24:51 2.806955 0.013395 LBFGSLineSearch: 5 17:24:52 2.806922 0.014406 LBFGSLineSearch: 6 17:24:53 2.806895 0.010724 LBFGSLineSearch: 7 17:24:54 2.806879 0.005708 LBFGSLineSearch: 8 17:24:55 2.806870 0.004530 LBFGSLineSearch: 9 17:24:56 2.806860 0.003906 LBFGSLineSearch: 10 17:24:58 2.806856 0.003530 LBFGSLineSearch: 11 17:25:00 2.806853 0.003740 LBFGSLineSearch: 12 17:25:02 2.806849 0.001721 LBFGSLineSearch: 13 17:25:03 2.806849 0.001687 LBFGSLineSearch: 14 17:25:05 2.806848 0.001412 LBFGSLineSearch: 15 17:25:07 2.806847 0.001200 LBFGSLineSearch: 16 17:25:08 2.806847 0.000822 LBFGSLineSearch: 17 17:25:09 2.806847 0.001083 LBFGSLineSearch: 18 17:25:10 2.806847 0.000662 LBFGSLineSearch: 19 17:25:10 2.806846 0.000194 LBFGSLineSearch: 20 17:25:12 2.806846 0.000117 LBFGSLineSearch: 21 17:25:12 2.806846 0.000106 LBFGSLineSearch: 22 17:25:14 2.806846 0.000088 LBFGSLineSearch: 23 17:25:15 2.806846 0.000042 LBFGSLineSearch: 24 17:25:16 2.806846 0.000000 Minimization converged after 24 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:22 15.179236 0.883742 LBFGSLineSearch: 1 17:25:22 15.072466 0.248887 LBFGSLineSearch: 2 17:25:23 15.062974 0.068934 LBFGSLineSearch: 3 17:25:23 15.061992 0.032692 LBFGSLineSearch: 4 17:25:23 15.061912 0.015698 LBFGSLineSearch: 5 17:25:24 15.061874 0.015720 LBFGSLineSearch: 6 17:25:24 15.061841 0.012134 LBFGSLineSearch: 7 17:25:24 15.061821 0.006589 LBFGSLineSearch: 8 17:25:25 15.061810 0.005175 LBFGSLineSearch: 9 17:25:26 15.061795 0.004843 LBFGSLineSearch: 10 17:25:26 15.061789 0.004197 LBFGSLineSearch: 11 17:25:27 15.061786 0.003933 LBFGSLineSearch: 12 17:25:27 15.061783 0.003007 LBFGSLineSearch: 13 17:25:28 15.061781 0.001929 LBFGSLineSearch: 14 17:25:29 15.061780 0.001717 LBFGSLineSearch: 15 17:25:31 15.061779 0.002044 LBFGSLineSearch: 16 17:25:34 15.061778 0.001005 LBFGSLineSearch: 17 17:25:37 15.061778 0.000823 LBFGSLineSearch: 18 17:25:38 15.061778 0.000879 LBFGSLineSearch: 19 17:25:38 15.061777 0.000144 LBFGSLineSearch: 20 17:25:39 15.061777 0.000083 LBFGSLineSearch: 21 17:25:39 15.061777 0.000028 LBFGSLineSearch: 22 17:25:40 15.061777 0.000019 LBFGSLineSearch: 23 17:25:41 15.061777 0.000002 Minimization converged after 23 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:47 28.689194 0.973388 LBFGSLineSearch: 1 17:25:49 28.563074 0.241279 LBFGSLineSearch: 2 17:25:50 28.554362 0.073899 LBFGSLineSearch: 3 17:25:51 28.553307 0.039116 LBFGSLineSearch: 4 17:25:52 28.553200 0.018503 LBFGSLineSearch: 5 17:25:54 28.553156 0.017261 LBFGSLineSearch: 6 17:25:55 28.553114 0.013500 LBFGSLineSearch: 7 17:25:56 28.553088 0.007586 LBFGSLineSearch: 8 17:25:57 28.553075 0.007332 LBFGSLineSearch: 9 17:25:57 28.553056 0.007508 LBFGSLineSearch: 10 17:25:59 28.553044 0.005052 LBFGSLineSearch: 11 17:26:00 28.553037 0.002608 LBFGSLineSearch: 12 17:26:02 28.553036 0.002565 LBFGSLineSearch: 13 17:26:02 28.553035 0.002755 LBFGSLineSearch: 14 17:26:03 28.553033 0.001645 LBFGSLineSearch: 15 17:26:05 28.553032 0.001380 LBFGSLineSearch: 16 17:26:06 28.553032 0.001089 LBFGSLineSearch: 17 17:26:09 28.553031 0.000183 LBFGSLineSearch: 18 17:26:11 28.553031 0.000162 LBFGSLineSearch: 19 17:26:13 28.553031 0.000118 LBFGSLineSearch: 20 17:26:14 28.553031 0.000125 LBFGSLineSearch: 21 17:26:14 28.553031 0.000047 LBFGSLineSearch: 22 17:26:15 28.553031 0.000000 Minimization converged after 22 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:21 43.547902 1.071062 LBFGSLineSearch: 1 17:26:22 43.399646 0.226568 LBFGSLineSearch: 2 17:26:22 43.392032 0.079195 LBFGSLineSearch: 3 17:26:22 43.390904 0.046618 LBFGSLineSearch: 4 17:26:22 43.390759 0.022025 LBFGSLineSearch: 5 17:26:23 43.390706 0.019170 LBFGSLineSearch: 6 17:26:23 43.390652 0.014563 LBFGSLineSearch: 7 17:26:24 43.390621 0.009699 LBFGSLineSearch: 8 17:26:25 43.390608 0.008673 LBFGSLineSearch: 9 17:26:25 43.390580 0.010274 LBFGSLineSearch: 10 17:26:26 43.390562 0.005730 LBFGSLineSearch: 11 17:26:26 43.390554 0.003657 LBFGSLineSearch: 12 17:26:27 43.390553 0.003048 LBFGSLineSearch: 13 17:26:28 43.390552 0.003157 LBFGSLineSearch: 14 17:26:28 43.390547 0.002790 LBFGSLineSearch: 15 17:26:29 43.390546 0.001453 LBFGSLineSearch: 16 17:26:30 43.390546 0.001078 LBFGSLineSearch: 17 17:26:30 43.390545 0.000246 LBFGSLineSearch: 18 17:26:30 43.390545 0.000198 LBFGSLineSearch: 19 17:26:31 43.390545 0.000158 LBFGSLineSearch: 20 17:26:32 43.390545 0.000147 LBFGSLineSearch: 21 17:26:32 43.390545 0.000069 LBFGSLineSearch: 22 17:26:32 43.390545 0.000015 LBFGSLineSearch: 23 17:26:33 43.390545 0.000001 Minimization converged after 23 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:39 59.873593 1.177361 LBFGSLineSearch: 1 17:26:39 59.700221 0.203069 LBFGSLineSearch: 2 17:26:40 59.693958 0.084858 LBFGSLineSearch: 3 17:26:40 59.692758 0.054969 LBFGSLineSearch: 4 17:26:41 59.692563 0.026529 LBFGSLineSearch: 5 17:26:41 59.692508 0.016372 LBFGSLineSearch: 6 17:26:41 59.692452 0.018937 LBFGSLineSearch: 7 17:26:42 59.692409 0.017072 LBFGSLineSearch: 8 17:26:42 59.692381 0.016123 LBFGSLineSearch: 9 17:26:42 59.692361 0.010080 LBFGSLineSearch: 10 17:26:43 59.692318 0.006212 LBFGSLineSearch: 11 17:26:43 59.692309 0.005768 LBFGSLineSearch: 12 17:26:44 59.692302 0.005049 LBFGSLineSearch: 13 17:26:44 59.692298 0.003226 LBFGSLineSearch: 14 17:26:45 59.692293 0.004319 LBFGSLineSearch: 15 17:26:45 59.692289 0.001674 LBFGSLineSearch: 16 17:26:46 59.692289 0.001022 LBFGSLineSearch: 17 17:26:46 59.692289 0.000694 LBFGSLineSearch: 18 17:26:47 59.692289 0.000594 LBFGSLineSearch: 19 17:26:48 59.692289 0.000215 LBFGSLineSearch: 20 17:26:50 59.692289 0.000143 LBFGSLineSearch: 21 17:26:52 59.692289 0.000144 LBFGSLineSearch: 22 17:26:53 59.692289 0.000057 LBFGSLineSearch: 23 17:26:53 59.692289 0.000000 Minimization converged after 23 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:00 77.792971 1.292906 LBFGSLineSearch: 1 17:27:01 77.591367 0.168803 LBFGSLineSearch: 2 17:27:02 77.586567 0.090939 LBFGSLineSearch: 3 17:27:04 77.585281 0.063061 LBFGSLineSearch: 4 17:27:05 77.585037 0.031927 LBFGSLineSearch: 5 17:27:06 77.584958 0.018846 LBFGSLineSearch: 6 17:27:07 77.584892 0.022086 LBFGSLineSearch: 7 17:27:08 77.584838 0.017691 LBFGSLineSearch: 8 17:27:08 77.584812 0.018032 LBFGSLineSearch: 9 17:27:09 77.584775 0.012537 LBFGSLineSearch: 10 17:27:10 77.584722 0.007324 LBFGSLineSearch: 11 17:27:11 77.584706 0.006585 LBFGSLineSearch: 12 17:27:12 77.584698 0.005957 LBFGSLineSearch: 13 17:27:12 77.584693 0.003841 LBFGSLineSearch: 14 17:27:14 77.584681 0.002626 LBFGSLineSearch: 15 17:27:14 77.584680 0.001420 LBFGSLineSearch: 16 17:27:16 77.584680 0.000787 LBFGSLineSearch: 17 17:27:18 77.584680 0.000410 LBFGSLineSearch: 18 17:27:18 77.584680 0.000330 LBFGSLineSearch: 19 17:27:19 77.584680 0.000236 LBFGSLineSearch: 20 17:27:19 77.584679 0.000184 LBFGSLineSearch: 21 17:27:20 77.584679 0.000131 LBFGSLineSearch: 22 17:27:20 77.584679 0.000089 LBFGSLineSearch: 23 17:27:21 77.584679 0.000060 LBFGSLineSearch: 24 17:27:21 77.584679 0.000058 LBFGSLineSearch: 25 17:27:22 77.584679 0.000004 Minimization converged after 25 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:28 97.441632 1.418354 LBFGSLineSearch: 1 17:27:29 97.208633 0.133732 LBFGSLineSearch: 2 17:27:29 97.205153 0.097502 LBFGSLineSearch: 3 17:27:30 97.203871 0.052110 LBFGSLineSearch: 4 17:27:30 97.203462 0.035866 LBFGSLineSearch: 5 17:27:31 97.203372 0.026809 LBFGSLineSearch: 6 17:27:31 97.203294 0.019361 LBFGSLineSearch: 7 17:27:32 97.203235 0.018473 LBFGSLineSearch: 8 17:27:33 97.203196 0.013320 LBFGSLineSearch: 9 17:27:35 97.203161 0.015767 LBFGSLineSearch: 10 17:27:37 97.203111 0.016082 LBFGSLineSearch: 11 17:27:37 97.203060 0.018819 LBFGSLineSearch: 12 17:27:37 97.203039 0.010073 LBFGSLineSearch: 13 17:27:38 97.203028 0.006485 LBFGSLineSearch: 14 17:27:38 97.203023 0.006972 LBFGSLineSearch: 15 17:27:38 97.203018 0.004352 LBFGSLineSearch: 16 17:27:39 97.203003 0.005954 LBFGSLineSearch: 17 17:27:39 97.203001 0.001632 LBFGSLineSearch: 18 17:27:40 97.203000 0.001000 LBFGSLineSearch: 19 17:27:40 97.203000 0.001052 LBFGSLineSearch: 20 17:27:43 97.203000 0.000670 LBFGSLineSearch: 21 17:27:44 97.203000 0.000110 LBFGSLineSearch: 22 17:27:45 97.203000 0.000036 LBFGSLineSearch: 23 17:27:48 97.203000 0.000007 Minimization converged after 23 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:55 118.964472 1.554392 LBFGSLineSearch: 1 17:27:56 118.696998 0.154348 LBFGSLineSearch: 2 17:27:57 118.693180 0.080106 LBFGSLineSearch: 3 17:27:57 118.692518 0.047338 LBFGSLineSearch: 4 17:27:58 118.692349 0.036495 LBFGSLineSearch: 5 17:27:59 118.692208 0.030164 LBFGSLineSearch: 6 17:28:00 118.692097 0.021662 LBFGSLineSearch: 7 17:28:01 118.692020 0.017717 LBFGSLineSearch: 8 17:28:02 118.691974 0.016181 LBFGSLineSearch: 9 17:28:02 118.691882 0.010301 LBFGSLineSearch: 10 17:28:02 118.691844 0.006583 LBFGSLineSearch: 11 17:28:02 118.691837 0.006839 LBFGSLineSearch: 12 17:28:03 118.691815 0.005288 LBFGSLineSearch: 13 17:28:03 118.691808 0.004155 LBFGSLineSearch: 14 17:28:04 118.691805 0.002280 LBFGSLineSearch: 15 17:28:05 118.691803 0.002354 LBFGSLineSearch: 16 17:28:05 118.691803 0.001248 LBFGSLineSearch: 17 17:28:06 118.691802 0.000441 LBFGSLineSearch: 18 17:28:06 118.691802 0.000031 LBFGSLineSearch: 19 17:28:06 118.691802 0.000007 Minimization converged after 19 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:13 142.516079 1.701741 LBFGSLineSearch: 1 17:28:13 142.211197 0.176591 LBFGSLineSearch: 2 17:28:13 142.206555 0.079477 LBFGSLineSearch: 3 17:28:13 142.206180 0.062010 LBFGSLineSearch: 4 17:28:14 142.205985 0.039757 LBFGSLineSearch: 5 17:28:14 142.205764 0.032843 LBFGSLineSearch: 6 17:28:14 142.205649 0.025367 LBFGSLineSearch: 7 17:28:15 142.205575 0.019233 LBFGSLineSearch: 8 17:28:15 142.205451 0.023032 LBFGSLineSearch: 9 17:28:15 142.205405 0.014813 LBFGSLineSearch: 10 17:28:16 142.205363 0.007963 LBFGSLineSearch: 11 17:28:16 142.205340 0.011677 LBFGSLineSearch: 12 17:28:17 142.205320 0.011406 LBFGSLineSearch: 13 17:28:17 142.205307 0.005235 LBFGSLineSearch: 14 17:28:18 142.205299 0.003428 LBFGSLineSearch: 15 17:28:19 142.205295 0.003958 LBFGSLineSearch: 16 17:28:20 142.205294 0.001765 LBFGSLineSearch: 17 17:28:21 142.205293 0.000206 LBFGSLineSearch: 18 17:28:21 142.205293 0.000150 LBFGSLineSearch: 19 17:28:22 142.205293 0.000054 LBFGSLineSearch: 20 17:28:22 142.205293 0.000001 Minimization converged after 20 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:28 168.261084 1.861129 LBFGSLineSearch: 1 17:28:29 167.914738 0.194451 LBFGSLineSearch: 2 17:28:29 167.909297 0.088024 LBFGSLineSearch: 3 17:28:30 167.908855 0.072739 LBFGSLineSearch: 4 17:28:30 167.908605 0.047577 LBFGSLineSearch: 5 17:28:30 167.908372 0.042552 LBFGSLineSearch: 6 17:28:31 167.908210 0.028264 LBFGSLineSearch: 7 17:28:31 167.908101 0.020008 LBFGSLineSearch: 8 17:28:32 167.908013 0.020183 LBFGSLineSearch: 9 17:28:33 167.907878 0.014052 LBFGSLineSearch: 10 17:28:34 167.907831 0.011586 LBFGSLineSearch: 11 17:28:35 167.907799 0.012567 LBFGSLineSearch: 12 17:28:35 167.907778 0.008993 LBFGSLineSearch: 13 17:28:36 167.907719 0.008480 LBFGSLineSearch: 14 17:28:36 167.907699 0.006660 LBFGSLineSearch: 15 17:28:37 167.907681 0.005363 LBFGSLineSearch: 16 17:28:39 167.907675 0.004037 LBFGSLineSearch: 17 17:28:40 167.907671 0.003441 LBFGSLineSearch: 18 17:28:41 167.907669 0.001489 LBFGSLineSearch: 19 17:28:41 167.907669 0.000438 LBFGSLineSearch: 20 17:28:42 167.907669 0.000510 LBFGSLineSearch: 21 17:28:43 167.907669 0.000524 LBFGSLineSearch: 22 17:28:44 167.907669 0.000022 LBFGSLineSearch: 23 17:28:45 167.907669 0.000000 Minimization converged after 23 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:50 196.374421 2.033339 LBFGSLineSearch: 1 17:28:52 195.981982 0.214720 LBFGSLineSearch: 2 17:28:52 195.975540 0.097540 LBFGSLineSearch: 3 17:28:53 195.974998 0.079801 LBFGSLineSearch: 4 17:28:53 195.974673 0.070389 LBFGSLineSearch: 5 17:28:55 195.974330 0.052198 LBFGSLineSearch: 6 17:28:56 195.974079 0.029574 LBFGSLineSearch: 7 17:28:57 195.973912 0.024723 LBFGSLineSearch: 8 17:28:57 195.973780 0.042397 LBFGSLineSearch: 9 17:28:58 195.973651 0.015954 LBFGSLineSearch: 10 17:28:58 195.973589 0.017094 LBFGSLineSearch: 11 17:28:58 195.973568 0.014611 LBFGSLineSearch: 12 17:28:59 195.973509 0.014232 LBFGSLineSearch: 13 17:28:59 195.973456 0.010358 LBFGSLineSearch: 14 17:29:00 195.973433 0.010393 LBFGSLineSearch: 15 17:29:00 195.973386 0.007674 LBFGSLineSearch: 16 17:29:01 195.973364 0.010643 LBFGSLineSearch: 17 17:29:01 195.973352 0.001345 LBFGSLineSearch: 18 17:29:01 195.973351 0.001049 LBFGSLineSearch: 19 17:29:02 195.973351 0.000168 LBFGSLineSearch: 20 17:29:03 195.973351 0.000036 LBFGSLineSearch: 21 17:29:03 195.973351 0.000000 Minimization converged after 21 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:10 227.041409 2.219147 LBFGSLineSearch: 1 17:29:10 226.597847 0.237691 LBFGSLineSearch: 2 17:29:11 226.590131 0.107787 LBFGSLineSearch: 3 17:29:11 226.589433 0.075701 LBFGSLineSearch: 4 17:29:12 226.588919 0.080662 LBFGSLineSearch: 5 17:29:12 226.588588 0.076069 LBFGSLineSearch: 6 17:29:13 226.588258 0.044471 LBFGSLineSearch: 7 17:29:14 226.588021 0.034482 LBFGSLineSearch: 8 17:29:15 226.587904 0.031744 LBFGSLineSearch: 9 17:29:17 226.587799 0.024830 LBFGSLineSearch: 10 17:29:17 226.587658 0.027016 LBFGSLineSearch: 11 17:29:18 226.587498 0.019224 LBFGSLineSearch: 12 17:29:18 226.587450 0.016403 LBFGSLineSearch: 13 17:29:19 226.587409 0.021016 LBFGSLineSearch: 14 17:29:19 226.587239 0.017014 LBFGSLineSearch: 15 17:29:19 226.587174 0.017708 LBFGSLineSearch: 16 17:29:20 226.587057 0.023815 LBFGSLineSearch: 17 17:29:21 226.586919 0.020951 LBFGSLineSearch: 18 17:29:21 226.586870 0.011565 LBFGSLineSearch: 19 17:29:22 226.586864 0.003018 LBFGSLineSearch: 20 17:29:22 226.586863 0.002992 LBFGSLineSearch: 21 17:29:23 226.586862 0.003490 LBFGSLineSearch: 22 17:29:23 226.586861 0.000038 LBFGSLineSearch: 23 17:29:24 226.586861 0.000002 Minimization converged after 23 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:30 260.456698 2.419276 LBFGSLineSearch: 1 17:29:31 259.956590 0.262640 LBFGSLineSearch: 2 17:29:32 259.947225 0.116228 LBFGSLineSearch: 3 17:29:32 259.946335 0.080265 LBFGSLineSearch: 4 17:29:33 259.945630 0.135482 LBFGSLineSearch: 5 17:29:34 259.945111 0.069712 LBFGSLineSearch: 6 17:29:34 259.944424 0.052133 LBFGSLineSearch: 7 17:29:35 259.944092 0.040455 LBFGSLineSearch: 8 17:29:35 259.943732 0.051936 LBFGSLineSearch: 9 17:29:36 259.943396 0.029658 LBFGSLineSearch: 10 17:29:36 259.943219 0.023892 LBFGSLineSearch: 11 17:29:37 259.943129 0.026788 LBFGSLineSearch: 12 17:29:38 259.942705 0.070069 LBFGSLineSearch: 13 17:29:38 259.940999 0.080525 LBFGSLineSearch: 14 17:29:38 259.939773 0.092222 LBFGSLineSearch: 15 17:29:38 259.938496 0.084013 LBFGSLineSearch: 16 17:29:39 259.938375 0.096357 LBFGSLineSearch: 17 17:29:39 259.936200 0.115808 LBFGSLineSearch: 18 17:29:39 259.934002 0.115344 LBFGSLineSearch: 19 17:29:39 259.933521 0.043299 LBFGSLineSearch: 20 17:29:40 259.933355 0.029370 LBFGSLineSearch: 21 17:29:40 259.933306 0.008627 LBFGSLineSearch: 22 17:29:41 259.933302 0.011583 LBFGSLineSearch: 23 17:29:41 259.933285 0.007861 LBFGSLineSearch: 24 17:29:42 259.933281 0.001491 LBFGSLineSearch: 25 17:29:42 259.933280 0.000027 LBFGSLineSearch: 26 17:29:43 259.933280 0.000002 Minimization converged after 26 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:49 296.795801 2.633037 LBFGSLineSearch: 1 17:29:50 296.233628 0.300140 LBFGSLineSearch: 2 17:29:51 296.222190 0.214552 LBFGSLineSearch: 3 17:29:51 296.221233 0.129925 LBFGSLineSearch: 4 17:29:52 296.220643 0.181729 LBFGSLineSearch: 5 17:29:53 296.219517 0.120461 LBFGSLineSearch: 6 17:29:54 296.218096 0.139982 LBFGSLineSearch: 7 17:29:54 296.216708 0.059748 LBFGSLineSearch: 8 17:29:55 296.215908 0.065989 LBFGSLineSearch: 9 17:29:55 296.215432 0.043410 LBFGSLineSearch: 10 17:29:56 296.215138 0.021934 LBFGSLineSearch: 11 17:29:56 296.215109 0.011517 LBFGSLineSearch: 12 17:29:57 296.215097 0.009880 LBFGSLineSearch: 13 17:29:57 296.215081 0.013785 LBFGSLineSearch: 14 17:29:57 296.215054 0.003877 LBFGSLineSearch: 15 17:29:57 296.215050 0.003463 LBFGSLineSearch: 16 17:29:58 296.215050 0.001461 LBFGSLineSearch: 17 17:29:58 296.215050 0.000440 LBFGSLineSearch: 18 17:30:00 296.215050 0.000206 LBFGSLineSearch: 19 17:30:00 296.215050 0.000057 LBFGSLineSearch: 20 17:30:02 296.215050 0.000001 Minimization converged after 20 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:09 336.311337 2.864021 LBFGSLineSearch: 1 17:30:10 335.680232 0.340970 LBFGSLineSearch: 2 17:30:10 335.666101 0.278984 LBFGSLineSearch: 3 17:30:11 335.664870 0.151046 LBFGSLineSearch: 4 17:30:11 335.663876 0.188092 LBFGSLineSearch: 5 17:30:12 335.662063 0.140698 LBFGSLineSearch: 6 17:30:14 335.659366 0.155381 LBFGSLineSearch: 7 17:30:14 335.656981 0.098764 LBFGSLineSearch: 8 17:30:16 335.655828 0.076223 LBFGSLineSearch: 9 17:30:18 335.654987 0.061151 LBFGSLineSearch: 10 17:30:19 335.654380 0.024721 LBFGSLineSearch: 11 17:30:20 335.654348 0.015217 LBFGSLineSearch: 12 17:30:22 335.654339 0.011638 LBFGSLineSearch: 13 17:30:24 335.654325 0.013621 LBFGSLineSearch: 14 17:30:24 335.654308 0.002264 LBFGSLineSearch: 15 17:30:25 335.654307 0.002069 LBFGSLineSearch: 16 17:30:26 335.654307 0.002200 LBFGSLineSearch: 17 17:30:27 335.654306 0.000150 LBFGSLineSearch: 18 17:30:27 335.654306 0.000468 LBFGSLineSearch: 19 17:30:28 335.654306 0.000081 LBFGSLineSearch: 20 17:30:28 335.654306 0.000000 Minimization converged after 20 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:35 379.210909 3.111186 LBFGSLineSearch: 1 17:30:36 378.503776 0.395631 LBFGSLineSearch: 2 17:30:37 378.485353 0.280401 LBFGSLineSearch: 3 17:30:38 378.484058 0.188914 LBFGSLineSearch: 4 17:30:38 378.481780 0.153872 LBFGSLineSearch: 5 17:30:39 378.478835 0.216302 LBFGSLineSearch: 6 17:30:40 378.473499 0.263961 LBFGSLineSearch: 7 17:30:41 378.466927 0.185860 LBFGSLineSearch: 8 17:30:41 378.464537 0.113820 LBFGSLineSearch: 9 17:30:42 378.462768 0.090586 LBFGSLineSearch: 10 17:30:42 378.461460 0.073431 LBFGSLineSearch: 11 17:30:42 378.460536 0.025122 LBFGSLineSearch: 12 17:30:42 378.460511 0.020984 LBFGSLineSearch: 13 17:30:43 378.460487 0.022310 LBFGSLineSearch: 14 17:30:43 378.460451 0.006167 LBFGSLineSearch: 15 17:30:44 378.460448 0.001591 LBFGSLineSearch: 16 17:30:44 378.460448 0.001336 LBFGSLineSearch: 17 17:30:45 378.460448 0.001482 LBFGSLineSearch: 18 17:30:45 378.460447 0.000200 LBFGSLineSearch: 19 17:30:45 378.460447 0.000137 LBFGSLineSearch: 20 17:30:46 378.460447 0.000077 LBFGSLineSearch: 21 17:30:46 378.460447 0.000002 Minimization converged after 21 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:53 425.689868 3.373531 LBFGSLineSearch: 1 17:30:54 424.898740 0.477348 LBFGSLineSearch: 2 17:30:56 424.872879 0.281173 LBFGSLineSearch: 3 17:30:57 424.870710 0.401042 LBFGSLineSearch: 4 17:30:57 424.866280 0.456875 LBFGSLineSearch: 5 17:30:58 424.861521 0.418183 LBFGSLineSearch: 6 17:30:58 424.847383 0.329882 LBFGSLineSearch: 7 17:30:58 424.829716 0.265413 LBFGSLineSearch: 8 17:30:58 424.823594 0.130626 LBFGSLineSearch: 9 17:30:59 424.821813 0.079839 LBFGSLineSearch: 10 17:30:59 424.820312 0.106838 LBFGSLineSearch: 11 17:31:00 424.818205 0.044412 LBFGSLineSearch: 12 17:31:01 424.818081 0.021954 LBFGSLineSearch: 13 17:31:01 424.818049 0.016007 LBFGSLineSearch: 14 17:31:01 424.818013 0.023934 LBFGSLineSearch: 15 17:31:02 424.817985 0.003606 LBFGSLineSearch: 16 17:31:03 424.817984 0.003089 LBFGSLineSearch: 17 17:31:03 424.817982 0.002449 LBFGSLineSearch: 18 17:31:03 424.817981 0.001119 LBFGSLineSearch: 19 17:31:03 424.817981 0.001230 LBFGSLineSearch: 20 17:31:04 424.817981 0.000452 LBFGSLineSearch: 21 17:31:04 424.817981 0.000080 LBFGSLineSearch: 22 17:31:04 424.817981 0.000011 LBFGSLineSearch: 23 17:31:04 424.817981 0.000000 Minimization converged after 23 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:10 475.891425 3.648103 LBFGSLineSearch: 1 17:31:11 475.007026 0.554293 LBFGSLineSearch: 2 17:31:11 474.976757 0.522973 LBFGSLineSearch: 3 17:31:11 474.968701 0.292645 LBFGSLineSearch: 4 17:31:12 474.961254 0.574069 LBFGSLineSearch: 5 17:31:13 474.952184 0.375603 LBFGSLineSearch: 6 17:31:13 474.891987 0.638225 LBFGSLineSearch: 7 17:31:14 474.580897 3.660674 LBFGSLineSearch: 8 17:31:14 474.537400 4.757123 LBFGSLineSearch: 9 17:31:14 473.794693 6.149683 LBFGSLineSearch: 10 17:31:15 473.584085 6.377995 LBFGSLineSearch: 11 17:31:15 472.245997 3.184079 LBFGSLineSearch: 12 17:31:16 471.759056 3.338395 LBFGSLineSearch: 13 17:31:16 469.411293 14.688681 LBFGSLineSearch: 14 17:31:17 469.310046 12.089370 LBFGSLineSearch: 15 17:31:18 467.794595 7.001110 LBFGSLineSearch: 16 17:31:18 466.786977 2.657293 LBFGSLineSearch: 17 17:31:19 466.549696 2.952173 LBFGSLineSearch: 18 17:31:20 466.435017 1.568728 LBFGSLineSearch: 19 17:31:20 466.393000 1.411362 LBFGSLineSearch: 20 17:31:21 466.347740 0.473189 LBFGSLineSearch: 21 17:31:21 466.333693 0.392421 LBFGSLineSearch: 22 17:31:23 466.320765 0.570965 LBFGSLineSearch: 23 17:31:23 466.302470 0.936680 LBFGSLineSearch: 24 17:31:24 466.287511 0.331246 LBFGSLineSearch: 25 17:31:24 466.281956 0.159191 LBFGSLineSearch: 26 17:31:26 466.278710 0.306755 LBFGSLineSearch: 27 17:31:28 466.269269 0.475461 LBFGSLineSearch: 28 17:31:29 466.265385 0.233537 LBFGSLineSearch: 29 17:31:30 466.263398 0.184007 LBFGSLineSearch: 30 17:31:30 466.260713 0.152472 LBFGSLineSearch: 31 17:31:31 466.258417 0.155843 LBFGSLineSearch: 32 17:31:32 466.256908 0.169215 LBFGSLineSearch: 33 17:31:34 466.255520 0.104434 LBFGSLineSearch: 34 17:31:35 466.254313 0.099802 LBFGSLineSearch: 35 17:31:35 466.254065 0.029135 LBFGSLineSearch: 36 17:31:36 466.254030 0.011406 LBFGSLineSearch: 37 17:31:36 466.254028 0.004564 LBFGSLineSearch: 38 17:31:36 466.254027 0.002370 LBFGSLineSearch: 39 17:31:37 466.254027 0.000649 LBFGSLineSearch: 40 17:31:37 466.254027 0.000077 LBFGSLineSearch: 41 17:31:38 466.254027 0.000004 Minimization converged after 41 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:45 519.710272 3.818304 LBFGSLineSearch: 1 17:31:46 518.734306 0.989269 LBFGSLineSearch: 2 17:31:47 518.723399 0.920381 LBFGSLineSearch: 3 17:31:47 518.713295 0.899809 LBFGSLineSearch: 4 17:31:48 518.707895 0.423692 LBFGSLineSearch: 5 17:31:50 518.703785 0.547185 LBFGSLineSearch: 6 17:31:50 518.698676 0.347817 LBFGSLineSearch: 7 17:31:50 518.696995 0.244313 LBFGSLineSearch: 8 17:31:51 518.691429 0.214622 LBFGSLineSearch: 9 17:31:51 518.685231 0.225418 LBFGSLineSearch: 10 17:31:51 518.682246 0.119366 LBFGSLineSearch: 11 17:31:51 518.680297 0.094446 LBFGSLineSearch: 12 17:31:52 518.679857 0.077276 LBFGSLineSearch: 13 17:31:52 518.679284 0.020939 LBFGSLineSearch: 14 17:31:52 518.679249 0.003762 LBFGSLineSearch: 15 17:31:52 518.679248 0.003462 LBFGSLineSearch: 16 17:31:53 518.679246 0.001659 LBFGSLineSearch: 17 17:31:53 518.679245 0.000090 LBFGSLineSearch: 18 17:31:53 518.679245 0.000002 Minimization converged after 18 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:58 576.414474 4.123945 LBFGSLineSearch: 1 17:31:59 575.330520 1.198884 LBFGSLineSearch: 2 17:32:00 575.318044 1.022929 LBFGSLineSearch: 3 17:32:00 575.307027 0.996016 LBFGSLineSearch: 4 17:32:00 575.300857 0.515551 LBFGSLineSearch: 5 17:32:01 575.295803 0.647259 LBFGSLineSearch: 6 17:32:02 575.287744 0.380827 LBFGSLineSearch: 7 17:32:02 575.286280 0.263676 LBFGSLineSearch: 8 17:32:03 575.281865 0.237980 LBFGSLineSearch: 9 17:32:03 575.275699 0.271218 LBFGSLineSearch: 10 17:32:04 575.271164 0.121579 LBFGSLineSearch: 11 17:32:04 575.268531 0.103430 LBFGSLineSearch: 12 17:32:05 575.267950 0.085152 LBFGSLineSearch: 13 17:32:06 575.267564 0.051084 LBFGSLineSearch: 14 17:32:08 575.267195 0.008694 LBFGSLineSearch: 15 17:32:09 575.267191 0.008225 LBFGSLineSearch: 16 17:32:09 575.267186 0.007921 LBFGSLineSearch: 17 17:32:10 575.267177 0.000854 LBFGSLineSearch: 18 17:32:10 575.267177 0.000172 LBFGSLineSearch: 19 17:32:11 575.267177 0.000005 Minimization converged after 19 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:17 637.548747 4.448685 LBFGSLineSearch: 1 17:32:17 636.347090 1.401138 LBFGSLineSearch: 2 17:32:17 636.333725 1.168051 LBFGSLineSearch: 3 17:32:18 636.321669 1.125803 LBFGSLineSearch: 4 17:32:18 636.314489 0.611372 LBFGSLineSearch: 5 17:32:20 636.307591 0.884129 LBFGSLineSearch: 6 17:32:21 636.294877 0.361751 LBFGSLineSearch: 7 17:32:21 636.293562 0.293869 LBFGSLineSearch: 8 17:32:22 636.290037 0.348127 LBFGSLineSearch: 9 17:32:22 636.283395 0.247496 LBFGSLineSearch: 10 17:32:23 636.273968 0.228381 LBFGSLineSearch: 11 17:32:23 636.270962 0.099186 LBFGSLineSearch: 12 17:32:24 636.270009 0.078614 LBFGSLineSearch: 13 17:32:24 636.269611 0.049304 LBFGSLineSearch: 14 17:32:24 636.269293 0.012013 LBFGSLineSearch: 15 17:32:24 636.269285 0.012946 LBFGSLineSearch: 16 17:32:25 636.269265 0.008078 LBFGSLineSearch: 17 17:32:25 636.269262 0.001305 LBFGSLineSearch: 18 17:32:25 636.269262 0.000060 LBFGSLineSearch: 19 17:32:26 636.269262 0.000001 Minimization converged after 19 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:32 703.362605 4.792382 LBFGSLineSearch: 1 17:32:32 702.032840 1.602533 LBFGSLineSearch: 2 17:32:32 702.019101 1.340009 LBFGSLineSearch: 3 17:32:33 702.005788 1.279617 LBFGSLineSearch: 4 17:32:34 701.997461 0.741913 LBFGSLineSearch: 5 17:32:34 701.986916 1.258712 LBFGSLineSearch: 6 17:32:35 701.969248 0.403382 LBFGSLineSearch: 7 17:32:35 701.966928 0.505164 LBFGSLineSearch: 8 17:32:37 701.962874 0.326700 LBFGSLineSearch: 9 17:32:37 701.955248 0.345928 LBFGSLineSearch: 10 17:32:38 701.941101 0.248456 LBFGSLineSearch: 11 17:32:38 701.937167 0.094451 LBFGSLineSearch: 12 17:32:39 701.936063 0.074866 LBFGSLineSearch: 13 17:32:39 701.935683 0.041770 LBFGSLineSearch: 14 17:32:40 701.935427 0.016094 LBFGSLineSearch: 15 17:32:41 701.935403 0.037204 LBFGSLineSearch: 16 17:32:41 701.935387 0.019916 LBFGSLineSearch: 17 17:32:41 701.935384 0.000709 LBFGSLineSearch: 18 17:32:42 701.935384 0.000015 LBFGSLineSearch: 19 17:32:42 701.935384 0.000001 Minimization converged after 19 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:49 774.105411 5.155002 LBFGSLineSearch: 1 17:32:50 772.636435 1.804247 LBFGSLineSearch: 2 17:32:52 772.622718 1.513510 LBFGSLineSearch: 3 17:32:53 772.607998 1.362864 LBFGSLineSearch: 4 17:32:56 772.598233 0.950183 LBFGSLineSearch: 5 17:32:58 772.581385 1.718753 LBFGSLineSearch: 6 17:32:58 772.561218 0.654458 LBFGSLineSearch: 7 17:32:59 772.555498 0.715764 LBFGSLineSearch: 8 17:33:00 772.550670 0.356386 LBFGSLineSearch: 9 17:33:00 772.543064 0.364913 LBFGSLineSearch: 10 17:33:01 772.523777 0.350664 LBFGSLineSearch: 11 17:33:01 772.518351 0.100703 LBFGSLineSearch: 12 17:33:02 772.517476 0.062532 LBFGSLineSearch: 13 17:33:02 772.517244 0.045987 LBFGSLineSearch: 14 17:33:03 772.516960 0.019453 LBFGSLineSearch: 15 17:33:04 772.516940 0.018291 LBFGSLineSearch: 16 17:33:04 772.516923 0.013207 LBFGSLineSearch: 17 17:33:05 772.516902 0.001499 LBFGSLineSearch: 18 17:33:05 772.516902 0.000065 LBFGSLineSearch: 19 17:33:06 772.516902 0.000001 Minimization converged after 19 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:11 850.030717 5.536702 LBFGSLineSearch: 1 17:33:12 848.410706 2.010167 LBFGSLineSearch: 2 17:33:12 848.397436 1.527502 LBFGSLineSearch: 3 17:33:13 848.381477 1.391220 LBFGSLineSearch: 4 17:33:14 848.368949 1.457201 LBFGSLineSearch: 5 17:33:15 848.332961 3.171466 LBFGSLineSearch: 6 17:33:16 843.816970 28.123261 LBFGSLineSearch: 7 17:33:18 843.810107 26.880698 LBFGSLineSearch: 8 17:33:18 839.299642 19.074568 LBFGSLineSearch: 9 17:33:19 837.641385 23.073095 LBFGSLineSearch: 10 17:33:20 836.167308 17.608689 LBFGSLineSearch: 11 17:33:20 835.403278 8.037489 LBFGSLineSearch: 12 17:33:21 834.576028 9.618237 LBFGSLineSearch: 13 17:33:21 834.038033 11.717024 LBFGSLineSearch: 14 17:33:22 833.666383 7.451486 LBFGSLineSearch: 15 17:33:22 833.314795 10.962738 LBFGSLineSearch: 16 17:33:23 832.673673 11.660310 LBFGSLineSearch: 17 17:33:24 832.405568 6.755474 LBFGSLineSearch: 18 17:33:24 832.081807 22.152635 LBFGSLineSearch: 19 17:33:25 830.178958 27.381468 LBFGSLineSearch: 20 17:33:25 829.786529 27.130600 LBFGSLineSearch: 21 17:33:26 827.653446 25.288931 LBFGSLineSearch: 22 17:33:28 826.555645 14.175072 LBFGSLineSearch: 23 17:33:29 825.966896 6.020677 LBFGSLineSearch: 24 17:33:30 825.830521 3.140940 LBFGSLineSearch: 25 17:33:31 825.779853 1.672035 LBFGSLineSearch: 26 17:33:32 825.756226 0.655814 LBFGSLineSearch: 27 17:33:33 825.739610 0.829833 LBFGSLineSearch: 28 17:33:33 825.734883 0.649813 LBFGSLineSearch: 29 17:33:34 825.733576 0.206112 LBFGSLineSearch: 30 17:33:34 825.733300 0.162009 LBFGSLineSearch: 31 17:33:35 825.733020 0.084507 LBFGSLineSearch: 32 17:33:35 825.732946 0.026760 LBFGSLineSearch: 33 17:33:35 825.732939 0.004093 LBFGSLineSearch: 34 17:33:36 825.732939 0.001696 LBFGSLineSearch: 35 17:33:36 825.732939 0.001268 LBFGSLineSearch: 36 17:33:36 825.732939 0.000836 LBFGSLineSearch: 37 17:33:36 825.732939 0.000105 LBFGSLineSearch: 38 17:33:37 825.732939 0.000016 LBFGSLineSearch: 39 17:33:37 825.732939 0.000012 LBFGSLineSearch: 40 17:33:38 825.732939 0.000000 Minimization converged after 40 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:44 903.987388 5.589604 LBFGSLineSearch: 1 17:33:45 902.198858 4.294254 LBFGSLineSearch: 2 17:33:45 902.172625 3.379360 LBFGSLineSearch: 3 17:33:46 902.162562 1.781398 LBFGSLineSearch: 4 17:33:46 902.159012 0.896979 LBFGSLineSearch: 5 17:33:47 902.153387 1.279600 LBFGSLineSearch: 6 17:33:49 902.148105 0.465183 LBFGSLineSearch: 7 17:33:49 902.147463 0.547259 LBFGSLineSearch: 8 17:33:50 902.146809 0.312198 LBFGSLineSearch: 9 17:33:51 902.145281 0.368261 LBFGSLineSearch: 10 17:33:52 902.144421 0.490366 LBFGSLineSearch: 11 17:33:53 902.141856 0.722817 LBFGSLineSearch: 12 17:33:55 902.139406 0.308975 LBFGSLineSearch: 13 17:33:56 902.139308 0.013063 LBFGSLineSearch: 14 17:33:57 902.139297 0.009054 LBFGSLineSearch: 15 17:33:57 902.139295 0.002578 LBFGSLineSearch: 16 17:33:58 902.139295 0.003130 LBFGSLineSearch: 17 17:33:58 902.139295 0.000040 LBFGSLineSearch: 18 17:33:59 902.139295 0.000000 Minimization converged after 18 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:05 985.925272 5.984713 LBFGSLineSearch: 1 17:34:05 983.966150 4.350841 LBFGSLineSearch: 2 17:34:06 983.944056 3.525369 LBFGSLineSearch: 3 17:34:06 983.935190 2.085228 LBFGSLineSearch: 4 17:34:06 983.931647 1.230247 LBFGSLineSearch: 5 17:34:07 983.925366 1.501224 LBFGSLineSearch: 6 17:34:07 983.918936 0.609863 LBFGSLineSearch: 7 17:34:08 983.918125 0.589349 LBFGSLineSearch: 8 17:34:09 983.917511 0.354545 LBFGSLineSearch: 9 17:34:10 983.915966 0.384092 LBFGSLineSearch: 10 17:34:10 983.915292 0.303380 LBFGSLineSearch: 11 17:34:11 983.912535 0.582868 LBFGSLineSearch: 12 17:34:12 983.909296 0.405346 LBFGSLineSearch: 13 17:34:12 983.908979 0.013632 LBFGSLineSearch: 14 17:34:12 983.908965 0.020738 LBFGSLineSearch: 15 17:34:13 983.908964 0.002198 LBFGSLineSearch: 16 17:34:14 983.908963 0.005323 LBFGSLineSearch: 17 17:34:14 983.908963 0.000017 LBFGSLineSearch: 18 17:34:15 983.908963 0.000000 Minimization converged after 18 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:21 1073.535152 6.401871 LBFGSLineSearch: 1 17:34:21 1071.392563 4.464151 LBFGSLineSearch: 2 17:34:23 1071.373701 3.663807 LBFGSLineSearch: 3 17:34:23 1071.365906 2.545021 LBFGSLineSearch: 4 17:34:24 1071.362392 1.738703 LBFGSLineSearch: 5 17:34:25 1071.355170 1.813113 LBFGSLineSearch: 6 17:34:25 1071.347188 0.844545 LBFGSLineSearch: 7 17:34:26 1071.346112 0.575975 LBFGSLineSearch: 8 17:34:27 1071.345459 0.634429 LBFGSLineSearch: 9 17:34:28 1071.343669 0.436977 LBFGSLineSearch: 10 17:34:29 1071.343101 0.325290 LBFGSLineSearch: 11 17:34:29 1071.340435 0.699212 LBFGSLineSearch: 12 17:34:29 1071.336611 0.685001 LBFGSLineSearch: 13 17:34:30 1071.335628 0.021012 LBFGSLineSearch: 14 17:34:30 1071.335608 0.047901 LBFGSLineSearch: 15 17:34:31 1071.335604 0.008328 LBFGSLineSearch: 16 17:34:31 1071.335604 0.001571 LBFGSLineSearch: 17 17:34:32 1071.335604 0.006476 LBFGSLineSearch: 18 17:34:32 1071.335604 0.000002 Minimization converged after 18 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:38 1167.115633 6.841431 LBFGSLineSearch: 1 17:34:39 1164.775909 4.628541 LBFGSLineSearch: 2 17:34:40 1164.759540 3.761908 LBFGSLineSearch: 3 17:34:41 1164.752706 3.276363 LBFGSLineSearch: 4 17:34:43 1164.749371 2.494084 LBFGSLineSearch: 5 17:34:44 1164.740818 2.300392 LBFGSLineSearch: 6 17:34:45 1164.730611 1.216097 LBFGSLineSearch: 7 17:34:45 1164.729093 0.934320 LBFGSLineSearch: 8 17:34:46 1164.728338 1.029113 LBFGSLineSearch: 9 17:34:47 1164.725879 0.551684 LBFGSLineSearch: 10 17:34:47 1164.725310 0.327554 LBFGSLineSearch: 11 17:34:48 1164.722746 0.727921 LBFGSLineSearch: 12 17:34:49 1164.718637 0.903033 LBFGSLineSearch: 13 17:34:49 1164.716684 0.078588 LBFGSLineSearch: 14 17:34:49 1164.716649 0.021223 LBFGSLineSearch: 15 17:34:50 1164.716631 0.032881 LBFGSLineSearch: 16 17:34:50 1164.716622 0.020754 LBFGSLineSearch: 17 17:34:51 1164.716621 0.004275 LBFGSLineSearch: 18 17:34:52 1164.716621 0.001254 LBFGSLineSearch: 19 17:34:52 1164.716621 0.003130 LBFGSLineSearch: 20 17:34:53 1164.716620 0.002557 LBFGSLineSearch: 21 17:34:53 1164.716620 0.000426 LBFGSLineSearch: 22 17:34:54 1164.716620 0.000009 Minimization converged after 22 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:00 1266.966924 7.303595 LBFGSLineSearch: 1 17:35:00 1264.415600 4.826890 LBFGSLineSearch: 2 17:35:02 1264.401151 3.889544 LBFGSLineSearch: 3 17:35:03 1264.395216 4.189875 LBFGSLineSearch: 4 17:35:03 1264.390881 2.636977 LBFGSLineSearch: 5 17:35:03 1264.380581 2.685070 LBFGSLineSearch: 6 17:35:04 1264.367272 1.999346 LBFGSLineSearch: 7 17:35:04 1264.365013 2.197016 LBFGSLineSearch: 8 17:35:05 1264.364196 1.587604 LBFGSLineSearch: 9 17:35:06 1264.360845 0.755724 LBFGSLineSearch: 10 17:35:08 1264.360154 0.364972 LBFGSLineSearch: 11 17:35:08 1264.357259 1.103358 LBFGSLineSearch: 12 17:35:08 1264.352107 1.687379 LBFGSLineSearch: 13 17:35:09 1264.350203 0.184615 LBFGSLineSearch: 14 17:35:09 1264.350128 0.027384 LBFGSLineSearch: 15 17:35:10 1264.350090 0.100682 LBFGSLineSearch: 16 17:35:10 1264.350078 0.041432 LBFGSLineSearch: 17 17:35:11 1264.350076 0.001753 LBFGSLineSearch: 18 17:35:11 1264.350076 0.003824 LBFGSLineSearch: 19 17:35:12 1264.350075 0.000374 LBFGSLineSearch: 20 17:35:12 1264.350075 0.000003 Minimization converged after 20 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:19 1373.384383 7.788165 LBFGSLineSearch: 1 17:35:20 1370.606185 5.063863 LBFGSLineSearch: 2 17:35:21 1370.593059 4.262529 LBFGSLineSearch: 3 17:35:22 1370.585422 2.775224 LBFGSLineSearch: 4 17:35:23 1370.580334 2.329937 LBFGSLineSearch: 5 17:35:25 1370.567486 4.030575 LBFGSLineSearch: 6 17:35:25 1370.547933 1.602328 LBFGSLineSearch: 7 17:35:27 1370.544163 1.428211 LBFGSLineSearch: 8 17:35:28 1370.543091 0.683839 LBFGSLineSearch: 9 17:35:28 1370.537596 1.825629 LBFGSLineSearch: 10 17:35:29 1370.535331 0.580977 LBFGSLineSearch: 11 17:35:30 1370.521236 1.598590 LBFGSLineSearch: 12 17:35:32 1370.517968 0.935999 LBFGSLineSearch: 13 17:35:32 1370.516500 0.152322 LBFGSLineSearch: 14 17:35:33 1370.515498 0.270628 LBFGSLineSearch: 15 17:35:35 1370.515015 0.137667 LBFGSLineSearch: 16 17:35:36 1370.514904 0.025488 LBFGSLineSearch: 17 17:35:37 1370.514871 0.051999 LBFGSLineSearch: 18 17:35:37 1370.514861 0.018550 LBFGSLineSearch: 19 17:35:38 1370.514859 0.000301 LBFGSLineSearch: 20 17:35:40 1370.514859 0.000006 Minimization converged after 20 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:46 1486.588313 8.290963 Failed to get energy or crystal structure at pressure 3250.9973544308687 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:47 -109.301964 0.000402 LBFGSLineSearch: 1 17:35:47 -109.301964 0.000166 LBFGSLineSearch: 2 17:35:48 -109.301964 0.000131 LBFGSLineSearch: 3 17:35:48 -109.301964 0.000051 LBFGSLineSearch: 4 17:35:48 -109.301964 0.000019 LBFGSLineSearch: 5 17:35:49 -109.301964 0.000012 LBFGSLineSearch: 6 17:35:49 -109.301964 0.000011 LBFGSLineSearch: 7 17:35:49 -109.301964 0.000009 Minimization converged after 7 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:55 -109.934484 0.045182 LBFGSLineSearch: 1 17:35:56 -109.935085 0.009312 LBFGSLineSearch: 2 17:35:58 -109.935111 0.004642 LBFGSLineSearch: 3 17:35:58 -109.935118 0.004506 LBFGSLineSearch: 4 17:36:00 -109.935121 0.003291 LBFGSLineSearch: 5 17:36:00 -109.935126 0.002015 LBFGSLineSearch: 6 17:36:02 -109.935128 0.002253 LBFGSLineSearch: 7 17:36:03 -109.935130 0.002667 LBFGSLineSearch: 8 17:36:03 -109.935133 0.002317 LBFGSLineSearch: 9 17:36:04 -109.935136 0.002764 LBFGSLineSearch: 10 17:36:04 -109.935137 0.002153 LBFGSLineSearch: 11 17:36:05 -109.935139 0.002837 LBFGSLineSearch: 12 17:36:05 -109.935141 0.002031 LBFGSLineSearch: 13 17:36:06 -109.935142 0.001382 LBFGSLineSearch: 14 17:36:06 -109.935142 0.000901 LBFGSLineSearch: 15 17:36:07 -109.935142 0.000753 LBFGSLineSearch: 16 17:36:07 -109.935142 0.000418 LBFGSLineSearch: 17 17:36:08 -109.935142 0.000180 LBFGSLineSearch: 18 17:36:08 -109.935142 0.000173 LBFGSLineSearch: 19 17:36:09 -109.935142 0.000156 LBFGSLineSearch: 20 17:36:09 -109.935142 0.000141 LBFGSLineSearch: 21 17:36:10 -109.935142 0.000129 LBFGSLineSearch: 22 17:36:10 -109.935142 0.000070 LBFGSLineSearch: 23 17:36:11 -109.935142 0.000085 LBFGSLineSearch: 24 17:36:11 -109.935142 0.000022 LBFGSLineSearch: 25 17:36:12 -109.935142 0.000015 LBFGSLineSearch: 26 17:36:13 -109.935142 0.000011 LBFGSLineSearch: 27 17:36:13 -109.935142 0.000010 LBFGSLineSearch: 28 17:36:14 -109.935142 0.000002 Minimization converged after 28 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:21 -110.568982 0.045275 LBFGSLineSearch: 1 17:36:22 -110.569589 0.009401 LBFGSLineSearch: 2 17:36:22 -110.569616 0.004697 LBFGSLineSearch: 3 17:36:23 -110.569623 0.004612 LBFGSLineSearch: 4 17:36:24 -110.569627 0.003361 LBFGSLineSearch: 5 17:36:24 -110.569632 0.002078 LBFGSLineSearch: 6 17:36:24 -110.569634 0.002331 LBFGSLineSearch: 7 17:36:25 -110.569636 0.002778 LBFGSLineSearch: 8 17:36:26 -110.569639 0.002401 LBFGSLineSearch: 9 17:36:26 -110.569642 0.002882 LBFGSLineSearch: 10 17:36:26 -110.569644 0.002246 LBFGSLineSearch: 11 17:36:27 -110.569645 0.002839 LBFGSLineSearch: 12 17:36:27 -110.569648 0.002054 LBFGSLineSearch: 13 17:36:28 -110.569649 0.001414 LBFGSLineSearch: 14 17:36:28 -110.569649 0.000966 LBFGSLineSearch: 15 17:36:28 -110.569649 0.000792 LBFGSLineSearch: 16 17:36:29 -110.569649 0.000181 LBFGSLineSearch: 17 17:36:30 -110.569649 0.000161 LBFGSLineSearch: 18 17:36:33 -110.569649 0.000148 LBFGSLineSearch: 19 17:36:36 -110.569649 0.000099 LBFGSLineSearch: 20 17:36:37 -110.569649 0.000082 LBFGSLineSearch: 21 17:36:37 -110.569649 0.000087 LBFGSLineSearch: 22 17:36:38 -110.569649 0.000048 LBFGSLineSearch: 23 17:36:38 -110.569649 0.000016 LBFGSLineSearch: 24 17:36:39 -110.569649 0.000014 LBFGSLineSearch: 25 17:36:39 -110.569649 0.000011 LBFGSLineSearch: 26 17:36:40 -110.569649 0.000000 Minimization converged after 26 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:47 -111.204827 0.045370 LBFGSLineSearch: 1 17:36:49 -111.205441 0.009496 LBFGSLineSearch: 2 17:36:50 -111.205469 0.004783 LBFGSLineSearch: 3 17:36:51 -111.205475 0.004717 LBFGSLineSearch: 4 17:36:52 -111.205479 0.003420 LBFGSLineSearch: 5 17:36:53 -111.205485 0.002139 LBFGSLineSearch: 6 17:36:53 -111.205487 0.002407 LBFGSLineSearch: 7 17:36:54 -111.205489 0.002880 LBFGSLineSearch: 8 17:36:56 -111.205492 0.002475 LBFGSLineSearch: 9 17:36:58 -111.205496 0.002992 LBFGSLineSearch: 10 17:36:59 -111.205498 0.002334 LBFGSLineSearch: 11 17:37:00 -111.205499 0.002807 LBFGSLineSearch: 12 17:37:01 -111.205502 0.002057 LBFGSLineSearch: 13 17:37:01 -111.205503 0.001433 LBFGSLineSearch: 14 17:37:02 -111.205503 0.001029 LBFGSLineSearch: 15 17:37:02 -111.205504 0.000825 LBFGSLineSearch: 16 17:37:03 -111.205504 0.000180 LBFGSLineSearch: 17 17:37:04 -111.205504 0.000162 LBFGSLineSearch: 18 17:37:05 -111.205504 0.000152 LBFGSLineSearch: 19 17:37:05 -111.205504 0.000124 LBFGSLineSearch: 20 17:37:06 -111.205504 0.000087 LBFGSLineSearch: 21 17:37:07 -111.205504 0.000024 LBFGSLineSearch: 22 17:37:08 -111.205504 0.000014 LBFGSLineSearch: 23 17:37:08 -111.205504 0.000011 LBFGSLineSearch: 24 17:37:09 -111.205504 0.000000 Minimization converged after 24 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:15 -111.842038 0.045467 LBFGSLineSearch: 1 17:37:16 -111.842659 0.009591 LBFGSLineSearch: 2 17:37:17 -111.842687 0.004867 LBFGSLineSearch: 3 17:37:19 -111.842694 0.004821 LBFGSLineSearch: 4 17:37:19 -111.842698 0.003473 LBFGSLineSearch: 5 17:37:20 -111.842704 0.002199 LBFGSLineSearch: 6 17:37:20 -111.842706 0.002478 LBFGSLineSearch: 7 17:37:20 -111.842708 0.002973 LBFGSLineSearch: 8 17:37:21 -111.842712 0.002542 LBFGSLineSearch: 9 17:37:21 -111.842716 0.003089 LBFGSLineSearch: 10 17:37:21 -111.842718 0.002414 LBFGSLineSearch: 11 17:37:21 -111.842719 0.002756 LBFGSLineSearch: 12 17:37:22 -111.842722 0.002056 LBFGSLineSearch: 13 17:37:22 -111.842723 0.001447 LBFGSLineSearch: 14 17:37:22 -111.842724 0.001084 LBFGSLineSearch: 15 17:37:22 -111.842724 0.000849 LBFGSLineSearch: 16 17:37:23 -111.842724 0.000177 LBFGSLineSearch: 17 17:37:23 -111.842724 0.000163 LBFGSLineSearch: 18 17:37:23 -111.842724 0.000153 LBFGSLineSearch: 19 17:37:23 -111.842724 0.000130 LBFGSLineSearch: 20 17:37:24 -111.842724 0.000091 LBFGSLineSearch: 21 17:37:24 -111.842724 0.000102 LBFGSLineSearch: 22 17:37:24 -111.842724 0.000035 LBFGSLineSearch: 23 17:37:26 -111.842724 0.000016 LBFGSLineSearch: 24 17:37:26 -111.842724 0.000013 LBFGSLineSearch: 25 17:37:27 -111.842724 0.000010 Minimization converged after 25 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:33 -112.480634 0.045574 LBFGSLineSearch: 1 17:37:34 -112.481262 0.009691 LBFGSLineSearch: 2 17:37:35 -112.481291 0.004969 LBFGSLineSearch: 3 17:37:35 -112.481298 0.004924 LBFGSLineSearch: 4 17:37:36 -112.481302 0.003515 LBFGSLineSearch: 5 17:37:36 -112.481308 0.002256 LBFGSLineSearch: 6 17:37:37 -112.481310 0.002543 LBFGSLineSearch: 7 17:37:37 -112.481313 0.003055 LBFGSLineSearch: 8 17:37:38 -112.481316 0.002598 LBFGSLineSearch: 9 17:37:38 -112.481321 0.003171 LBFGSLineSearch: 10 17:37:38 -112.481323 0.002482 LBFGSLineSearch: 11 17:37:39 -112.481324 0.002692 LBFGSLineSearch: 12 17:37:40 -112.481327 0.002051 LBFGSLineSearch: 13 17:37:41 -112.481329 0.001456 LBFGSLineSearch: 14 17:37:42 -112.481329 0.001131 LBFGSLineSearch: 15 17:37:42 -112.481329 0.000866 LBFGSLineSearch: 16 17:37:43 -112.481329 0.000175 LBFGSLineSearch: 17 17:37:43 -112.481329 0.000163 LBFGSLineSearch: 18 17:37:44 -112.481329 0.000152 LBFGSLineSearch: 19 17:37:45 -112.481329 0.000133 LBFGSLineSearch: 20 17:37:46 -112.481329 0.000109 LBFGSLineSearch: 21 17:37:46 -112.481329 0.000069 LBFGSLineSearch: 22 17:37:47 -112.481329 0.000091 LBFGSLineSearch: 23 17:37:47 -112.481329 0.000059 LBFGSLineSearch: 24 17:37:48 -112.481329 0.000015 LBFGSLineSearch: 25 17:37:49 -112.481329 0.000012 LBFGSLineSearch: 26 17:37:50 -112.481329 0.000008 Minimization converged after 26 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:57 -113.120633 0.045673 LBFGSLineSearch: 1 17:38:00 -113.121268 0.009787 LBFGSLineSearch: 2 17:38:01 -113.121298 0.005058 LBFGSLineSearch: 3 17:38:02 -113.121305 0.005024 LBFGSLineSearch: 4 17:38:03 -113.121310 0.003552 LBFGSLineSearch: 5 17:38:03 -113.121316 0.002311 LBFGSLineSearch: 6 17:38:05 -113.121318 0.002604 LBFGSLineSearch: 7 17:38:09 -113.121321 0.003123 LBFGSLineSearch: 8 17:38:12 -113.121325 0.002641 LBFGSLineSearch: 9 17:38:15 -113.121329 0.003233 LBFGSLineSearch: 10 17:38:15 -113.121331 0.002537 LBFGSLineSearch: 11 17:38:16 -113.121333 0.002608 LBFGSLineSearch: 12 17:38:16 -113.121336 0.002037 LBFGSLineSearch: 13 17:38:16 -113.121337 0.001461 LBFGSLineSearch: 14 17:38:17 -113.121338 0.001168 LBFGSLineSearch: 15 17:38:17 -113.121338 0.000878 LBFGSLineSearch: 16 17:38:18 -113.121338 0.000176 LBFGSLineSearch: 17 17:38:21 -113.121338 0.000160 LBFGSLineSearch: 18 17:38:22 -113.121338 0.000149 LBFGSLineSearch: 19 17:38:23 -113.121338 0.000132 LBFGSLineSearch: 20 17:38:24 -113.121338 0.000116 LBFGSLineSearch: 21 17:38:24 -113.121338 0.000091 LBFGSLineSearch: 22 17:38:25 -113.121338 0.000106 LBFGSLineSearch: 23 17:38:25 -113.121338 0.000049 LBFGSLineSearch: 24 17:38:26 -113.121338 0.000026 LBFGSLineSearch: 25 17:38:26 -113.121338 0.000011 LBFGSLineSearch: 26 17:38:27 -113.121338 0.000007 Minimization converged after 26 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:33 -113.762056 0.045773 LBFGSLineSearch: 1 17:38:34 -113.762698 0.009884 LBFGSLineSearch: 2 17:38:35 -113.762728 0.005152 LBFGSLineSearch: 3 17:38:35 -113.762736 0.005122 LBFGSLineSearch: 4 17:38:36 -113.762741 0.003576 LBFGSLineSearch: 5 17:38:36 -113.762747 0.002362 LBFGSLineSearch: 6 17:38:37 -113.762749 0.002656 LBFGSLineSearch: 7 17:38:38 -113.762752 0.003176 LBFGSLineSearch: 8 17:38:39 -113.762756 0.002670 LBFGSLineSearch: 9 17:38:40 -113.762761 0.003275 LBFGSLineSearch: 10 17:38:40 -113.762763 0.002568 LBFGSLineSearch: 11 17:38:42 -113.762764 0.002514 LBFGSLineSearch: 12 17:38:46 -113.762767 0.002022 LBFGSLineSearch: 13 17:38:48 -113.762769 0.001464 LBFGSLineSearch: 14 17:38:50 -113.762769 0.001192 LBFGSLineSearch: 15 17:38:51 -113.762770 0.000817 LBFGSLineSearch: 16 17:38:52 -113.762770 0.000580 LBFGSLineSearch: 17 17:38:54 -113.762770 0.000303 LBFGSLineSearch: 18 17:38:56 -113.762770 0.000158 LBFGSLineSearch: 19 17:38:58 -113.762770 0.000166 LBFGSLineSearch: 20 17:39:01 -113.762770 0.000136 LBFGSLineSearch: 21 17:39:03 -113.762770 0.000104 LBFGSLineSearch: 22 17:39:05 -113.762770 0.000104 LBFGSLineSearch: 23 17:39:07 -113.762770 0.000064 LBFGSLineSearch: 24 17:39:09 -113.762770 0.000018 LBFGSLineSearch: 25 17:39:11 -113.762770 0.000010 LBFGSLineSearch: 26 17:39:12 -113.762770 0.000006 Minimization converged after 26 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:18 -114.404919 0.045874 LBFGSLineSearch: 1 17:39:18 -114.405569 0.009976 LBFGSLineSearch: 2 17:39:19 -114.405600 0.005234 LBFGSLineSearch: 3 17:39:20 -114.405608 0.005215 LBFGSLineSearch: 4 17:39:21 -114.405613 0.003592 LBFGSLineSearch: 5 17:39:21 -114.405619 0.002408 LBFGSLineSearch: 6 17:39:22 -114.405622 0.002700 LBFGSLineSearch: 7 17:39:22 -114.405625 0.003212 LBFGSLineSearch: 8 17:39:24 -114.405629 0.002683 LBFGSLineSearch: 9 17:39:27 -114.405633 0.003293 LBFGSLineSearch: 10 17:39:29 -114.405636 0.002580 LBFGSLineSearch: 11 17:39:31 -114.405637 0.002241 LBFGSLineSearch: 12 17:39:33 -114.405638 0.002902 LBFGSLineSearch: 13 17:39:33 -114.405642 0.001398 LBFGSLineSearch: 14 17:39:34 -114.405642 0.001147 LBFGSLineSearch: 15 17:39:34 -114.405643 0.000801 LBFGSLineSearch: 16 17:39:35 -114.405643 0.000168 LBFGSLineSearch: 17 17:39:35 -114.405643 0.000151 LBFGSLineSearch: 18 17:39:36 -114.405643 0.000135 LBFGSLineSearch: 19 17:39:39 -114.405643 0.000134 LBFGSLineSearch: 20 17:39:41 -114.405643 0.000077 LBFGSLineSearch: 21 17:39:44 -114.405643 0.000036 LBFGSLineSearch: 22 17:39:46 -114.405643 0.000011 LBFGSLineSearch: 23 17:39:48 -114.405643 0.000010 Minimization converged after 23 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:56 -115.049243 0.045981 LBFGSLineSearch: 1 17:39:56 -115.049900 0.010075 LBFGSLineSearch: 2 17:39:57 -115.049932 0.005342 LBFGSLineSearch: 3 17:39:58 -115.049940 0.005308 LBFGSLineSearch: 4 17:39:58 -115.049945 0.003591 LBFGSLineSearch: 5 17:39:58 -115.049952 0.002447 LBFGSLineSearch: 6 17:39:59 -115.049954 0.002762 LBFGSLineSearch: 7 17:40:00 -115.050062 0.015696 LBFGSLineSearch: 8 17:40:00 -115.050065 0.016481 LBFGSLineSearch: 9 17:40:01 -115.050122 0.017396 LBFGSLineSearch: 10 17:40:01 -115.050182 0.013474 LBFGSLineSearch: 11 17:40:01 -115.050246 0.017749 LBFGSLineSearch: 12 17:40:02 -115.050319 0.012422 LBFGSLineSearch: 13 17:40:02 -115.050370 0.016018 LBFGSLineSearch: 14 17:40:03 -115.050450 0.009047 LBFGSLineSearch: 15 17:40:05 -115.050489 0.011245 LBFGSLineSearch: 16 17:40:06 -115.050520 0.010357 LBFGSLineSearch: 17 17:40:07 -115.050539 0.004036 LBFGSLineSearch: 18 17:40:07 -115.050545 0.001932 LBFGSLineSearch: 19 17:40:09 -115.050546 0.000883 LBFGSLineSearch: 20 17:40:10 -115.050547 0.000601 LBFGSLineSearch: 21 17:40:11 -115.050547 0.000443 LBFGSLineSearch: 22 17:40:11 -115.050547 0.000361 LBFGSLineSearch: 23 17:40:12 -115.050547 0.000287 LBFGSLineSearch: 24 17:40:13 -115.050547 0.000111 LBFGSLineSearch: 25 17:40:14 -115.050547 0.000044 LBFGSLineSearch: 26 17:40:15 -115.050547 0.000010 Minimization converged after 26 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:20 -115.695841 0.046096 LBFGSLineSearch: 1 17:40:22 -115.696502 0.010562 LBFGSLineSearch: 2 17:40:22 -115.696538 0.005754 LBFGSLineSearch: 3 17:40:23 -115.696548 0.005955 LBFGSLineSearch: 4 17:40:23 -115.696555 0.004058 LBFGSLineSearch: 5 17:40:24 -115.696563 0.002451 LBFGSLineSearch: 6 17:40:25 -115.696565 0.002763 LBFGSLineSearch: 7 17:40:25 -115.696568 0.003233 LBFGSLineSearch: 8 17:40:26 -115.696572 0.002512 LBFGSLineSearch: 9 17:40:26 -115.696576 0.002943 LBFGSLineSearch: 10 17:40:27 -115.696577 0.001719 LBFGSLineSearch: 11 17:40:28 -115.696579 0.001818 LBFGSLineSearch: 12 17:40:29 -115.696581 0.001301 LBFGSLineSearch: 13 17:40:30 -115.696582 0.000936 LBFGSLineSearch: 14 17:40:30 -115.696582 0.000616 LBFGSLineSearch: 15 17:40:31 -115.696582 0.000149 LBFGSLineSearch: 16 17:40:31 -115.696582 0.000086 LBFGSLineSearch: 17 17:40:31 -115.696582 0.000081 LBFGSLineSearch: 18 17:40:32 -115.696582 0.000027 LBFGSLineSearch: 19 17:40:32 -115.696582 0.000011 LBFGSLineSearch: 20 17:40:33 -115.696582 0.000007 Minimization converged after 20 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:38 -116.343362 0.046206 LBFGSLineSearch: 1 17:40:40 -116.344030 0.010741 LBFGSLineSearch: 2 17:40:41 -116.344067 0.005868 LBFGSLineSearch: 3 17:40:41 -116.344078 0.006061 LBFGSLineSearch: 4 17:40:42 -116.344085 0.004037 LBFGSLineSearch: 5 17:40:45 -116.344093 0.002386 LBFGSLineSearch: 6 17:40:45 -116.344095 0.002694 LBFGSLineSearch: 7 17:40:46 -116.344098 0.003153 LBFGSLineSearch: 8 17:40:46 -116.344101 0.002423 LBFGSLineSearch: 9 17:40:48 -116.344105 0.002716 LBFGSLineSearch: 10 17:40:48 -116.344107 0.001790 LBFGSLineSearch: 11 17:40:49 -116.344108 0.001686 LBFGSLineSearch: 12 17:40:49 -116.344108 0.002193 LBFGSLineSearch: 13 17:40:50 -116.344111 0.000826 LBFGSLineSearch: 14 17:40:51 -116.344111 0.000670 LBFGSLineSearch: 15 17:40:52 -116.344111 0.000139 LBFGSLineSearch: 16 17:40:52 -116.344111 0.000101 LBFGSLineSearch: 17 17:40:53 -116.344111 0.000078 LBFGSLineSearch: 18 17:40:55 -116.344111 0.000065 LBFGSLineSearch: 19 17:40:55 -116.344111 0.000031 LBFGSLineSearch: 20 17:40:57 -116.344111 0.000022 LBFGSLineSearch: 21 17:40:59 -116.344111 0.000007 Minimization converged after 21 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:06 -116.992392 0.046313 LBFGSLineSearch: 1 17:41:07 -116.993068 0.010893 LBFGSLineSearch: 2 17:41:07 -116.993106 0.005975 LBFGSLineSearch: 3 17:41:08 -116.993118 0.006298 LBFGSLineSearch: 4 17:41:09 -116.993125 0.003987 LBFGSLineSearch: 5 17:41:09 -116.993133 0.002338 LBFGSLineSearch: 6 17:41:10 -116.993135 0.002638 LBFGSLineSearch: 7 17:41:11 -116.993138 0.003105 LBFGSLineSearch: 8 17:41:12 -116.993141 0.002349 LBFGSLineSearch: 9 17:41:14 -116.993144 0.002545 LBFGSLineSearch: 10 17:41:15 -116.993146 0.001824 LBFGSLineSearch: 11 17:41:15 -116.993147 0.001631 LBFGSLineSearch: 12 17:41:17 -116.993148 0.002253 LBFGSLineSearch: 13 17:41:18 -116.993150 0.000820 LBFGSLineSearch: 14 17:41:19 -116.993150 0.000348 LBFGSLineSearch: 15 17:41:21 -116.993150 0.000138 LBFGSLineSearch: 16 17:41:21 -116.993150 0.000110 LBFGSLineSearch: 17 17:41:21 -116.993150 0.000075 LBFGSLineSearch: 18 17:41:22 -116.993150 0.000068 LBFGSLineSearch: 19 17:41:22 -116.993150 0.000033 LBFGSLineSearch: 20 17:41:23 -116.993150 0.000029 LBFGSLineSearch: 21 17:41:24 -116.993150 0.000007 Minimization converged after 21 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:31 -117.642950 0.046421 LBFGSLineSearch: 1 17:41:32 -117.643634 0.011025 LBFGSLineSearch: 2 17:41:33 -117.643673 0.006090 LBFGSLineSearch: 3 17:41:35 -117.643685 0.006508 LBFGSLineSearch: 4 17:41:36 -117.643693 0.003913 LBFGSLineSearch: 5 17:41:38 -117.643701 0.002303 LBFGSLineSearch: 6 17:41:40 -117.643703 0.002592 LBFGSLineSearch: 7 17:41:42 -117.643706 0.003063 LBFGSLineSearch: 8 17:41:43 -117.643709 0.002286 LBFGSLineSearch: 9 17:41:43 -117.643712 0.002411 LBFGSLineSearch: 10 17:41:44 -117.643714 0.001836 LBFGSLineSearch: 11 17:41:44 -117.643714 0.001581 LBFGSLineSearch: 12 17:41:45 -117.643715 0.002163 LBFGSLineSearch: 13 17:41:45 -117.643717 0.000779 LBFGSLineSearch: 14 17:41:46 -117.643717 0.000351 LBFGSLineSearch: 15 17:41:47 -117.643717 0.000131 LBFGSLineSearch: 16 17:41:48 -117.643717 0.000087 LBFGSLineSearch: 17 17:41:49 -117.643717 0.000070 LBFGSLineSearch: 18 17:41:50 -117.643717 0.000057 LBFGSLineSearch: 19 17:41:51 -117.643717 0.000032 LBFGSLineSearch: 20 17:41:51 -117.643717 0.000020 LBFGSLineSearch: 21 17:41:53 -117.643717 0.000007 Minimization converged after 21 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:00 -118.295054 0.046531 LBFGSLineSearch: 1 17:42:01 -118.295747 0.011138 LBFGSLineSearch: 2 17:42:02 -118.295787 0.006181 LBFGSLineSearch: 3 17:42:03 -118.295800 0.006695 LBFGSLineSearch: 4 17:42:03 -118.295807 0.003826 LBFGSLineSearch: 5 17:42:04 -118.295815 0.002279 LBFGSLineSearch: 6 17:42:05 -118.295817 0.002553 LBFGSLineSearch: 7 17:42:06 -118.295820 0.003024 LBFGSLineSearch: 8 17:42:08 -118.295823 0.002232 LBFGSLineSearch: 9 17:42:10 -118.295826 0.002301 LBFGSLineSearch: 10 17:42:11 -118.295828 0.001836 LBFGSLineSearch: 11 17:42:12 -118.295828 0.001542 LBFGSLineSearch: 12 17:42:13 -118.295829 0.002019 LBFGSLineSearch: 13 17:42:15 -118.295830 0.000752 LBFGSLineSearch: 14 17:42:17 -118.295831 0.000379 LBFGSLineSearch: 15 17:42:18 -118.295831 0.000138 LBFGSLineSearch: 16 17:42:19 -118.295831 0.000085 LBFGSLineSearch: 17 17:42:20 -118.295831 0.000068 LBFGSLineSearch: 18 17:42:21 -118.295831 0.000059 LBFGSLineSearch: 19 17:42:22 -118.295831 0.000030 LBFGSLineSearch: 20 17:42:25 -118.295831 0.000033 LBFGSLineSearch: 21 17:42:26 -118.295831 0.000007 Minimization converged after 21 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:32 -118.948724 0.046642 LBFGSLineSearch: 1 17:42:34 -118.949425 0.011240 LBFGSLineSearch: 2 17:42:34 -118.949466 0.006280 LBFGSLineSearch: 3 17:42:35 -118.949479 0.006874 LBFGSLineSearch: 4 17:42:36 -118.949487 0.003772 LBFGSLineSearch: 5 17:42:37 -118.949495 0.002263 LBFGSLineSearch: 6 17:42:37 -118.949497 0.002521 LBFGSLineSearch: 7 17:42:39 -118.949500 0.002989 LBFGSLineSearch: 8 17:42:40 -118.949502 0.002185 LBFGSLineSearch: 9 17:42:41 -118.949505 0.002211 LBFGSLineSearch: 10 17:42:43 -118.949507 0.001819 LBFGSLineSearch: 11 17:42:44 -118.949508 0.001507 LBFGSLineSearch: 12 17:42:45 -118.949508 0.001877 LBFGSLineSearch: 13 17:42:46 -118.949510 0.000768 LBFGSLineSearch: 14 17:42:46 -118.949510 0.000701 LBFGSLineSearch: 15 17:42:46 -118.949510 0.000106 LBFGSLineSearch: 16 17:42:47 -118.949510 0.000084 LBFGSLineSearch: 17 17:42:48 -118.949510 0.000065 LBFGSLineSearch: 18 17:42:49 -118.949510 0.000038 LBFGSLineSearch: 19 17:42:50 -118.949510 0.000031 LBFGSLineSearch: 20 17:42:51 -118.949510 0.000006 Minimization converged after 20 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:57 -119.603979 0.046754 LBFGSLineSearch: 1 17:43:00 -119.604689 0.011332 LBFGSLineSearch: 2 17:43:02 -119.604731 0.006375 LBFGSLineSearch: 3 17:43:04 -119.604744 0.007045 LBFGSLineSearch: 4 17:43:05 -119.604753 0.003812 LBFGSLineSearch: 5 17:43:06 -119.604760 0.002257 LBFGSLineSearch: 6 17:43:07 -119.604763 0.002494 LBFGSLineSearch: 7 17:43:09 -119.604765 0.002955 LBFGSLineSearch: 8 17:43:09 -119.604768 0.002145 LBFGSLineSearch: 9 17:43:11 -119.604771 0.002136 LBFGSLineSearch: 10 17:43:12 -119.604772 0.001792 LBFGSLineSearch: 11 17:43:12 -119.604773 0.001473 LBFGSLineSearch: 12 17:43:12 -119.604773 0.001762 LBFGSLineSearch: 13 17:43:14 -119.604775 0.000822 LBFGSLineSearch: 14 17:43:14 -119.604775 0.000698 LBFGSLineSearch: 15 17:43:15 -119.604775 0.000111 LBFGSLineSearch: 16 17:43:17 -119.604775 0.000081 LBFGSLineSearch: 17 17:43:17 -119.604775 0.000064 LBFGSLineSearch: 18 17:43:17 -119.604775 0.000044 LBFGSLineSearch: 19 17:43:19 -119.604775 0.000027 LBFGSLineSearch: 20 17:43:19 -119.604775 0.000013 LBFGSLineSearch: 21 17:43:20 -119.604775 0.000007 Minimization converged after 21 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:26 -120.260840 0.046868 LBFGSLineSearch: 1 17:43:28 -120.261559 0.011415 LBFGSLineSearch: 2 17:43:29 -120.261602 0.006480 LBFGSLineSearch: 3 17:43:30 -120.261616 0.007217 LBFGSLineSearch: 4 17:43:31 -120.261624 0.003856 LBFGSLineSearch: 5 17:43:32 -120.261632 0.002258 LBFGSLineSearch: 6 17:43:32 -120.261634 0.002473 LBFGSLineSearch: 7 17:43:33 -120.261636 0.002924 LBFGSLineSearch: 8 17:43:34 -120.261639 0.002111 LBFGSLineSearch: 9 17:43:35 -120.261642 0.002070 LBFGSLineSearch: 10 17:43:35 -120.261644 0.001766 LBFGSLineSearch: 11 17:43:36 -120.261644 0.001439 LBFGSLineSearch: 12 17:43:37 -120.261645 0.001661 LBFGSLineSearch: 13 17:43:38 -120.261646 0.000853 LBFGSLineSearch: 14 17:43:39 -120.261646 0.000603 LBFGSLineSearch: 15 17:43:40 -120.261646 0.000607 LBFGSLineSearch: 16 17:43:41 -120.261646 0.000098 LBFGSLineSearch: 17 17:43:42 -120.261646 0.000065 LBFGSLineSearch: 18 17:43:42 -120.261646 0.000059 LBFGSLineSearch: 19 17:43:43 -120.261646 0.000038 LBFGSLineSearch: 20 17:43:44 -120.261646 0.000026 LBFGSLineSearch: 21 17:43:46 -120.261646 0.000011 LBFGSLineSearch: 22 17:43:47 -120.261646 0.000006 Minimization converged after 22 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:53 -120.919328 0.046983 LBFGSLineSearch: 1 17:43:53 -120.920057 0.011492 LBFGSLineSearch: 2 17:43:54 -120.920100 0.006581 LBFGSLineSearch: 3 17:43:54 -120.920114 0.007388 LBFGSLineSearch: 4 17:43:55 -120.920123 0.003902 LBFGSLineSearch: 5 17:43:57 -120.920131 0.002267 LBFGSLineSearch: 6 17:43:58 -120.920133 0.002455 LBFGSLineSearch: 7 17:44:00 -120.920135 0.002893 LBFGSLineSearch: 8 17:44:01 -120.920138 0.002083 LBFGSLineSearch: 9 17:44:02 -120.920141 0.002013 LBFGSLineSearch: 10 17:44:03 -120.920142 0.001742 LBFGSLineSearch: 11 17:44:04 -120.920143 0.001407 LBFGSLineSearch: 12 17:44:04 -120.920143 0.001575 LBFGSLineSearch: 13 17:44:04 -120.920145 0.000868 LBFGSLineSearch: 14 17:44:05 -120.920145 0.000612 LBFGSLineSearch: 15 17:44:05 -120.920145 0.000604 LBFGSLineSearch: 16 17:44:06 -120.920145 0.000103 LBFGSLineSearch: 17 17:44:07 -120.920145 0.000064 LBFGSLineSearch: 18 17:44:07 -120.920145 0.000059 LBFGSLineSearch: 19 17:44:08 -120.920145 0.000039 LBFGSLineSearch: 20 17:44:10 -120.920145 0.000029 LBFGSLineSearch: 21 17:44:11 -120.920145 0.000011 LBFGSLineSearch: 22 17:44:12 -120.920145 0.000006 Minimization converged after 22 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:19 -121.579465 0.047100 LBFGSLineSearch: 1 17:44:20 -121.580203 0.011565 LBFGSLineSearch: 2 17:44:21 -121.580247 0.006684 LBFGSLineSearch: 3 17:44:22 -121.580262 0.007564 LBFGSLineSearch: 4 17:44:24 -121.580272 0.003950 LBFGSLineSearch: 5 17:44:25 -121.580279 0.002282 LBFGSLineSearch: 6 17:44:26 -121.580282 0.002442 LBFGSLineSearch: 7 17:44:26 -121.580284 0.002863 LBFGSLineSearch: 8 17:44:27 -121.580286 0.002061 LBFGSLineSearch: 9 17:44:27 -121.580289 0.001963 LBFGSLineSearch: 10 17:44:28 -121.580290 0.001719 LBFGSLineSearch: 11 17:44:29 -121.580291 0.001374 LBFGSLineSearch: 12 17:44:31 -121.580291 0.001501 LBFGSLineSearch: 13 17:44:33 -121.580293 0.000871 LBFGSLineSearch: 14 17:44:34 -121.580293 0.000625 LBFGSLineSearch: 15 17:44:34 -121.580293 0.000601 LBFGSLineSearch: 16 17:44:34 -121.580293 0.000109 LBFGSLineSearch: 17 17:44:34 -121.580293 0.000064 LBFGSLineSearch: 18 17:44:35 -121.580293 0.000060 LBFGSLineSearch: 19 17:44:35 -121.580293 0.000040 LBFGSLineSearch: 20 17:44:36 -121.580293 0.000030 LBFGSLineSearch: 21 17:44:36 -121.580293 0.000010 Minimization converged after 21 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:42 -122.241273 0.047223 LBFGSLineSearch: 1 17:44:43 -122.242022 0.011633 LBFGSLineSearch: 2 17:44:43 -122.242067 0.006774 LBFGSLineSearch: 3 17:44:45 -122.242082 0.007741 LBFGSLineSearch: 4 17:44:46 -122.242092 0.003996 LBFGSLineSearch: 5 17:44:46 -122.242099 0.002303 LBFGSLineSearch: 6 17:44:46 -122.242102 0.002431 LBFGSLineSearch: 7 17:44:46 -122.242104 0.002834 LBFGSLineSearch: 8 17:44:47 -122.242106 0.002045 LBFGSLineSearch: 9 17:44:47 -122.242109 0.001920 LBFGSLineSearch: 10 17:44:47 -122.242111 0.001700 LBFGSLineSearch: 11 17:44:48 -122.242111 0.001342 LBFGSLineSearch: 12 17:44:48 -122.242112 0.001438 LBFGSLineSearch: 13 17:44:48 -122.242113 0.000867 LBFGSLineSearch: 14 17:44:49 -122.242113 0.000639 LBFGSLineSearch: 15 17:44:49 -122.242113 0.000597 LBFGSLineSearch: 16 17:44:49 -122.242113 0.000116 LBFGSLineSearch: 17 17:44:50 -122.242113 0.000063 LBFGSLineSearch: 18 17:44:50 -122.242113 0.000063 LBFGSLineSearch: 19 17:44:50 -122.242113 0.000046 LBFGSLineSearch: 20 17:44:50 -122.242113 0.000030 LBFGSLineSearch: 21 17:44:51 -122.242113 0.000011 LBFGSLineSearch: 22 17:44:51 -122.242113 0.000006 Minimization converged after 22 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:58 -122.904777 0.047338 LBFGSLineSearch: 1 17:45:00 -122.905536 0.011699 LBFGSLineSearch: 2 17:45:00 -122.905582 0.006893 LBFGSLineSearch: 3 17:45:01 -122.905598 0.007936 LBFGSLineSearch: 4 17:45:02 -122.905608 0.004045 LBFGSLineSearch: 5 17:45:04 -122.905615 0.002331 LBFGSLineSearch: 6 17:45:04 -122.905618 0.002425 LBFGSLineSearch: 7 17:45:05 -122.905620 0.002805 LBFGSLineSearch: 8 17:45:05 -122.905622 0.002036 LBFGSLineSearch: 9 17:45:05 -122.905625 0.001884 LBFGSLineSearch: 10 17:45:05 -122.905626 0.001683 LBFGSLineSearch: 11 17:45:06 -122.905627 0.001311 LBFGSLineSearch: 12 17:45:06 -122.905627 0.001385 LBFGSLineSearch: 13 17:45:07 -122.905629 0.000857 LBFGSLineSearch: 14 17:45:07 -122.905629 0.000655 LBFGSLineSearch: 15 17:45:07 -122.905629 0.000593 LBFGSLineSearch: 16 17:45:07 -122.905629 0.000123 LBFGSLineSearch: 17 17:45:08 -122.905629 0.000066 LBFGSLineSearch: 18 17:45:08 -122.905629 0.000063 LBFGSLineSearch: 19 17:45:09 -122.905629 0.000049 LBFGSLineSearch: 20 17:45:10 -122.905629 0.000032 LBFGSLineSearch: 21 17:45:10 -122.905629 0.000009 Minimization converged after 21 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:45:16 -123.570001 0.047465 LBFGSLineSearch: 1 17:45:16 -123.570769 0.011762 LBFGSLineSearch: 2 17:45:17 -123.570817 0.006984 LBFGSLineSearch: 3 17:45:18 -123.570833 0.008130 LBFGSLineSearch: 4 17:45:18 -123.570843 0.004090 LBFGSLineSearch: 5 17:45:20 -123.570851 0.002361 LBFGSLineSearch: 6 17:45:20 -123.570853 0.002420 LBFGSLineSearch: 7 17:45:21 -123.570855 0.002776 LBFGSLineSearch: 8 17:45:21 -123.570858 0.002035 LBFGSLineSearch: 9 17:45:22 -123.570860 0.001854 LBFGSLineSearch: 10 17:45:23 -123.570862 0.001670 LBFGSLineSearch: 11 17:45:25 -123.570863 0.001280 LBFGSLineSearch: 12 17:45:27 -123.570863 0.001341 LBFGSLineSearch: 13 17:45:30 -123.570864 0.000846 LBFGSLineSearch: 14 17:45:32 -123.570864 0.000670 LBFGSLineSearch: 15 17:45:34 -123.570864 0.000585 LBFGSLineSearch: 16 17:45:35 -123.570865 0.000131 LBFGSLineSearch: 17 17:45:37 -123.570865 0.000069 LBFGSLineSearch: 18 17:45:39 -123.570865 0.000065 LBFGSLineSearch: 19 17:45:42 -123.570865 0.000051 LBFGSLineSearch: 20 17:45:43 -123.570865 0.000035 LBFGSLineSearch: 21 17:45:43 -123.570865 0.000008 Minimization converged after 21 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:45:50 -124.236969 0.047586 LBFGSLineSearch: 1 17:45:50 -124.237748 0.011825 LBFGSLineSearch: 2 17:45:53 -124.237796 0.007093 LBFGSLineSearch: 3 17:45:54 -124.237813 0.008343 LBFGSLineSearch: 4 17:45:55 -124.237824 0.004135 LBFGSLineSearch: 5 17:45:57 -124.237831 0.002397 LBFGSLineSearch: 6 17:45:57 -124.237834 0.002418 LBFGSLineSearch: 7 17:45:58 -124.237836 0.002748 LBFGSLineSearch: 8 17:46:01 -124.237838 0.002042 LBFGSLineSearch: 9 17:46:01 -124.237841 0.001833 LBFGSLineSearch: 10 17:46:02 -124.237843 0.001661 LBFGSLineSearch: 11 17:46:03 -124.237844 0.001251 LBFGSLineSearch: 12 17:46:04 -124.237844 0.001303 LBFGSLineSearch: 13 17:46:05 -124.237845 0.000833 LBFGSLineSearch: 14 17:46:06 -124.237845 0.000716 LBFGSLineSearch: 15 17:46:07 -124.237845 0.000180 LBFGSLineSearch: 16 17:46:09 -124.237846 0.000140 LBFGSLineSearch: 17 17:46:10 -124.237846 0.000088 LBFGSLineSearch: 18 17:46:12 -124.237846 0.000075 LBFGSLineSearch: 19 17:46:13 -124.237846 0.000063 LBFGSLineSearch: 20 17:46:13 -124.237846 0.000057 LBFGSLineSearch: 21 17:46:14 -124.237846 0.000036 LBFGSLineSearch: 22 17:46:14 -124.237846 0.000047 LBFGSLineSearch: 23 17:46:15 -124.237846 0.000005 Minimization converged after 23 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:46:22 -124.905708 0.047708 LBFGSLineSearch: 1 17:46:24 -124.906498 0.011889 LBFGSLineSearch: 2 17:46:27 -124.906548 0.007219 LBFGSLineSearch: 3 17:46:28 -124.906565 0.008574 LBFGSLineSearch: 4 17:46:29 -124.906576 0.004178 LBFGSLineSearch: 5 17:46:30 -124.906585 0.002624 LBFGSLineSearch: 6 17:46:30 -124.906589 0.002011 LBFGSLineSearch: 7 17:46:31 -124.906590 0.002076 LBFGSLineSearch: 8 17:46:31 -124.906591 0.002284 LBFGSLineSearch: 9 17:46:32 -124.906594 0.001862 LBFGSLineSearch: 10 17:46:34 -124.906595 0.001347 LBFGSLineSearch: 11 17:46:34 -124.906596 0.001109 LBFGSLineSearch: 12 17:46:35 -124.906597 0.001442 LBFGSLineSearch: 13 17:46:35 -124.906597 0.000749 LBFGSLineSearch: 14 17:46:36 -124.906598 0.000515 LBFGSLineSearch: 15 17:46:36 -124.906598 0.000188 LBFGSLineSearch: 16 17:46:36 -124.906598 0.000148 LBFGSLineSearch: 17 17:46:36 -124.906598 0.000117 LBFGSLineSearch: 18 17:46:37 -124.906598 0.000076 LBFGSLineSearch: 19 17:46:37 -124.906598 0.000067 LBFGSLineSearch: 20 17:46:37 -124.906598 0.000061 LBFGSLineSearch: 21 17:46:38 -124.906598 0.000040 LBFGSLineSearch: 22 17:46:38 -124.906598 0.000055 LBFGSLineSearch: 23 17:46:38 -124.906598 0.000005 Minimization converged after 23 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:46:43 -125.576245 0.047835 LBFGSLineSearch: 1 17:46:44 -125.577047 0.011952 LBFGSLineSearch: 2 17:46:45 -125.577098 0.007330 LBFGSLineSearch: 3 17:46:47 -125.577115 0.008818 LBFGSLineSearch: 4 17:46:49 -125.577127 0.004219 LBFGSLineSearch: 5 17:46:52 -125.577137 0.002626 LBFGSLineSearch: 6 17:46:54 -125.577140 0.002060 LBFGSLineSearch: 7 17:46:56 -125.577141 0.002096 LBFGSLineSearch: 8 17:46:58 -125.577142 0.002332 LBFGSLineSearch: 9 17:46:59 -125.577145 0.001886 LBFGSLineSearch: 10 17:47:00 -125.577147 0.001646 LBFGSLineSearch: 11 17:47:01 -125.577148 0.001068 LBFGSLineSearch: 12 17:47:03 -125.577148 0.001213 LBFGSLineSearch: 13 17:47:04 -125.577149 0.000803 LBFGSLineSearch: 14 17:47:04 -125.577149 0.000716 LBFGSLineSearch: 15 17:47:05 -125.577149 0.000627 LBFGSLineSearch: 16 17:47:05 -125.577149 0.000159 LBFGSLineSearch: 17 17:47:06 -125.577149 0.000095 LBFGSLineSearch: 18 17:47:07 -125.577149 0.000068 LBFGSLineSearch: 19 17:47:07 -125.577149 0.000074 LBFGSLineSearch: 20 17:47:07 -125.577149 0.000049 LBFGSLineSearch: 21 17:47:08 -125.577149 0.000051 LBFGSLineSearch: 22 17:47:08 -125.577149 0.000017 LBFGSLineSearch: 23 17:47:09 -125.577149 0.000007 Minimization converged after 23 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:47:15 -126.248610 0.047964 LBFGSLineSearch: 1 17:47:16 -126.249423 0.012014 LBFGSLineSearch: 2 17:47:16 -126.249475 0.007441 LBFGSLineSearch: 3 17:47:18 -126.249494 0.009080 LBFGSLineSearch: 4 17:47:18 -126.249506 0.004257 LBFGSLineSearch: 5 17:47:20 -126.249516 0.002630 LBFGSLineSearch: 6 17:47:20 -126.249519 0.002128 LBFGSLineSearch: 7 17:47:20 -126.249520 0.002130 LBFGSLineSearch: 8 17:47:21 -126.249521 0.002403 LBFGSLineSearch: 9 17:47:21 -126.249524 0.001945 LBFGSLineSearch: 10 17:47:22 -126.249525 0.002478 LBFGSLineSearch: 11 17:47:22 -126.249527 0.001057 LBFGSLineSearch: 12 17:47:23 -126.249528 0.000886 LBFGSLineSearch: 13 17:47:23 -126.249528 0.000788 LBFGSLineSearch: 14 17:47:24 -126.249529 0.000789 LBFGSLineSearch: 15 17:47:24 -126.249529 0.000199 LBFGSLineSearch: 16 17:47:25 -126.249529 0.000084 LBFGSLineSearch: 17 17:47:26 -126.249529 0.000084 LBFGSLineSearch: 18 17:47:26 -126.249529 0.000053 LBFGSLineSearch: 19 17:47:26 -126.249529 0.000044 LBFGSLineSearch: 20 17:47:27 -126.249529 0.000010 Minimization converged after 20 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:47:33 -126.922833 0.048099 LBFGSLineSearch: 1 17:47:34 -126.923658 0.012077 LBFGSLineSearch: 2 17:47:34 -126.923711 0.007557 LBFGSLineSearch: 3 17:47:35 -126.923730 0.009366 LBFGSLineSearch: 4 17:47:36 -126.923743 0.004293 LBFGSLineSearch: 5 17:47:37 -126.923753 0.002637 LBFGSLineSearch: 6 17:47:37 -126.923757 0.002212 LBFGSLineSearch: 7 17:47:37 -126.923758 0.002182 LBFGSLineSearch: 8 17:47:38 -126.923759 0.002498 LBFGSLineSearch: 9 17:47:38 -126.923762 0.002033 LBFGSLineSearch: 10 17:47:38 -126.923763 0.002375 LBFGSLineSearch: 11 17:47:39 -126.923765 0.001043 LBFGSLineSearch: 12 17:47:41 -126.923766 0.001134 LBFGSLineSearch: 13 17:47:42 -126.923767 0.000814 LBFGSLineSearch: 14 17:47:43 -126.923767 0.000773 LBFGSLineSearch: 15 17:47:44 -126.923767 0.000210 LBFGSLineSearch: 16 17:47:44 -126.923767 0.000097 LBFGSLineSearch: 17 17:47:45 -126.923767 0.000095 LBFGSLineSearch: 18 17:47:47 -126.923767 0.000068 LBFGSLineSearch: 19 17:47:48 -126.923767 0.000077 LBFGSLineSearch: 20 17:47:48 -126.923767 0.000016 LBFGSLineSearch: 21 17:47:49 -126.923767 0.000012 LBFGSLineSearch: 22 17:47:50 -126.923767 0.000003 Minimization converged after 22 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:47:56 -127.598945 0.048229 LBFGSLineSearch: 1 17:47:59 -127.599783 0.012139 LBFGSLineSearch: 2 17:48:00 -127.599838 0.007663 LBFGSLineSearch: 3 17:48:02 -127.599857 0.009673 LBFGSLineSearch: 4 17:48:03 -127.599872 0.004326 LBFGSLineSearch: 5 17:48:03 -127.599882 0.002650 LBFGSLineSearch: 6 17:48:04 -127.599885 0.002317 LBFGSLineSearch: 7 17:48:04 -127.599886 0.002259 LBFGSLineSearch: 8 17:48:05 -127.599887 0.002627 LBFGSLineSearch: 9 17:48:06 -127.599891 0.002160 LBFGSLineSearch: 10 17:48:07 -127.599892 0.001839 LBFGSLineSearch: 11 17:48:07 -127.599893 0.002680 LBFGSLineSearch: 12 17:48:09 -127.599895 0.000989 LBFGSLineSearch: 13 17:48:11 -127.599896 0.000810 LBFGSLineSearch: 14 17:48:13 -127.599896 0.000454 LBFGSLineSearch: 15 17:48:13 -127.599896 0.000221 LBFGSLineSearch: 16 17:48:14 -127.599896 0.000184 LBFGSLineSearch: 17 17:48:15 -127.599896 0.000118 LBFGSLineSearch: 18 17:48:15 -127.599896 0.000101 LBFGSLineSearch: 19 17:48:16 -127.599896 0.000101 LBFGSLineSearch: 20 17:48:17 -127.599896 0.000068 LBFGSLineSearch: 21 17:48:18 -127.599896 0.000082 LBFGSLineSearch: 22 17:48:18 -127.599896 0.000016 LBFGSLineSearch: 23 17:48:19 -127.599896 0.000012 LBFGSLineSearch: 24 17:48:19 -127.599896 0.000005 Minimization converged after 24 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:48:25 -128.276983 0.048365 LBFGSLineSearch: 1 17:48:26 -128.277834 0.012200 LBFGSLineSearch: 2 17:48:28 -128.277890 0.007748 LBFGSLineSearch: 3 17:48:31 -128.277910 0.010000 LBFGSLineSearch: 4 17:48:32 -128.277926 0.004357 LBFGSLineSearch: 5 17:48:33 -128.277936 0.002767 LBFGSLineSearch: 6 17:48:34 -128.277940 0.002452 LBFGSLineSearch: 7 17:48:35 -128.277941 0.002613 LBFGSLineSearch: 8 17:48:36 -128.277945 0.002549 LBFGSLineSearch: 9 17:48:36 -128.277947 0.002561 LBFGSLineSearch: 10 17:48:37 -128.277950 0.001298 LBFGSLineSearch: 11 17:48:38 -128.277951 0.001122 LBFGSLineSearch: 12 17:48:40 -128.277951 0.001380 LBFGSLineSearch: 13 17:48:41 -128.277952 0.000788 LBFGSLineSearch: 14 17:48:41 -128.277953 0.000280 LBFGSLineSearch: 15 17:48:42 -128.277953 0.000180 LBFGSLineSearch: 16 17:48:44 -128.277953 0.000120 LBFGSLineSearch: 17 17:48:45 -128.277953 0.000130 LBFGSLineSearch: 18 17:48:45 -128.277953 0.000124 LBFGSLineSearch: 19 17:48:45 -128.277953 0.000085 LBFGSLineSearch: 20 17:48:46 -128.277953 0.000086 LBFGSLineSearch: 21 17:48:46 -128.277953 0.000031 LBFGSLineSearch: 22 17:48:47 -128.277953 0.000019 LBFGSLineSearch: 23 17:48:48 -128.277953 0.000014 LBFGSLineSearch: 24 17:48:48 -128.277953 0.000002 Minimization converged after 24 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:48:54 -128.956985 0.048504 LBFGSLineSearch: 1 17:48:55 -128.957849 0.012272 LBFGSLineSearch: 2 17:48:56 -128.957907 0.007887 LBFGSLineSearch: 3 17:48:57 -128.957928 0.010389 LBFGSLineSearch: 4 17:48:58 -128.957945 0.004389 LBFGSLineSearch: 5 17:48:58 -128.957956 0.002960 LBFGSLineSearch: 6 17:48:59 -128.957960 0.002629 LBFGSLineSearch: 7 17:49:00 -128.957961 0.002865 LBFGSLineSearch: 8 17:49:01 -128.957967 0.002413 LBFGSLineSearch: 9 17:49:02 -128.957970 0.002284 LBFGSLineSearch: 10 17:49:02 -128.957973 0.001661 LBFGSLineSearch: 11 17:49:03 -128.957973 0.001576 LBFGSLineSearch: 12 17:49:04 -128.957975 0.000683 LBFGSLineSearch: 13 17:49:05 -128.957975 0.000793 LBFGSLineSearch: 14 17:49:07 -128.957975 0.000831 LBFGSLineSearch: 15 17:49:08 -128.957975 0.000274 LBFGSLineSearch: 16 17:49:09 -128.957975 0.000160 LBFGSLineSearch: 17 17:49:10 -128.957975 0.000150 LBFGSLineSearch: 18 17:49:11 -128.957976 0.000123 LBFGSLineSearch: 19 17:49:11 -128.957976 0.000105 LBFGSLineSearch: 20 17:49:11 -128.957976 0.000098 LBFGSLineSearch: 21 17:49:12 -128.957976 0.000057 LBFGSLineSearch: 22 17:49:13 -128.957976 0.000020 LBFGSLineSearch: 23 17:49:13 -128.957976 0.000017 LBFGSLineSearch: 24 17:49:14 -128.957976 0.000001 Minimization converged after 24 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:49:20 -129.638996 0.048645 LBFGSLineSearch: 1 17:49:22 -129.639875 0.012335 LBFGSLineSearch: 2 17:49:24 -129.639934 0.007997 LBFGSLineSearch: 3 17:49:25 -129.639955 0.010812 LBFGSLineSearch: 4 17:49:26 -129.639974 0.004420 LBFGSLineSearch: 5 17:49:27 -129.639986 0.003254 LBFGSLineSearch: 6 17:49:27 -129.639991 0.002815 LBFGSLineSearch: 7 17:49:28 -129.639993 0.003210 LBFGSLineSearch: 8 17:49:28 -129.640000 0.002978 LBFGSLineSearch: 9 17:49:29 -129.640004 0.002401 LBFGSLineSearch: 10 17:49:29 -129.640008 0.002132 LBFGSLineSearch: 11 17:49:29 -129.640009 0.001463 LBFGSLineSearch: 12 17:49:30 -129.640010 0.001878 LBFGSLineSearch: 13 17:49:31 -129.640011 0.000691 LBFGSLineSearch: 14 17:49:32 -129.640012 0.000947 LBFGSLineSearch: 15 17:49:32 -129.640012 0.000371 LBFGSLineSearch: 16 17:49:33 -129.640012 0.000287 LBFGSLineSearch: 17 17:49:34 -129.640012 0.000254 LBFGSLineSearch: 18 17:49:36 -129.640012 0.000185 LBFGSLineSearch: 19 17:49:38 -129.640012 0.000127 LBFGSLineSearch: 20 17:49:40 -129.640012 0.000116 LBFGSLineSearch: 21 17:49:41 -129.640012 0.000028 LBFGSLineSearch: 22 17:49:41 -129.640012 0.000018 LBFGSLineSearch: 23 17:49:41 -129.640012 0.000002 Minimization converged after 23 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:49:48 -130.323076 0.048792 LBFGSLineSearch: 1 17:49:48 -130.323969 0.012397 LBFGSLineSearch: 2 17:49:49 -130.324030 0.008138 LBFGSLineSearch: 3 17:49:51 -130.324052 0.011322 LBFGSLineSearch: 4 17:49:52 -130.324073 0.004456 LBFGSLineSearch: 5 17:49:52 -130.324087 0.003734 LBFGSLineSearch: 6 17:49:53 -130.324092 0.003099 LBFGSLineSearch: 7 17:49:53 -130.324095 0.003813 LBFGSLineSearch: 8 17:49:54 -130.324107 0.003864 LBFGSLineSearch: 9 17:49:55 -130.324113 0.003729 LBFGSLineSearch: 10 17:49:55 -130.324123 0.003488 LBFGSLineSearch: 11 17:49:55 -130.324125 0.002336 LBFGSLineSearch: 12 17:49:56 -130.324127 0.001897 LBFGSLineSearch: 13 17:49:57 -130.324128 0.002438 LBFGSLineSearch: 14 17:49:57 -130.324129 0.001051 LBFGSLineSearch: 15 17:49:58 -130.324130 0.000596 LBFGSLineSearch: 16 17:49:58 -130.324130 0.000455 LBFGSLineSearch: 17 17:49:59 -130.324130 0.000513 LBFGSLineSearch: 18 17:50:01 -130.324131 0.000244 LBFGSLineSearch: 19 17:50:02 -130.324131 0.000178 LBFGSLineSearch: 20 17:50:03 -130.324131 0.000167 LBFGSLineSearch: 21 17:50:05 -130.324131 0.000183 LBFGSLineSearch: 22 17:50:06 -130.324131 0.000163 LBFGSLineSearch: 23 17:50:06 -130.324131 0.000033 LBFGSLineSearch: 24 17:50:07 -130.324131 0.000008 Minimization converged after 24 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:50:12 -131.009326 0.048949 LBFGSLineSearch: 1 17:50:13 -131.010235 0.012448 LBFGSLineSearch: 2 17:50:13 -131.010297 0.008369 LBFGSLineSearch: 3 17:50:14 -131.010320 0.012026 LBFGSLineSearch: 4 17:50:15 -131.010345 0.004504 LBFGSLineSearch: 5 17:50:16 -131.010363 0.004662 LBFGSLineSearch: 6 17:50:17 -131.010371 0.003792 LBFGSLineSearch: 7 17:50:17 -131.010377 0.005188 LBFGSLineSearch: 8 17:50:18 -131.010404 0.005444 LBFGSLineSearch: 9 17:50:18 -131.010413 0.007416 LBFGSLineSearch: 10 17:50:19 -131.010479 0.007686 LBFGSLineSearch: 11 17:50:19 -131.010490 0.008195 LBFGSLineSearch: 12 17:50:20 -131.010508 0.005059 LBFGSLineSearch: 13 17:50:20 -131.010516 0.005487 LBFGSLineSearch: 14 17:50:21 -131.010518 0.005073 LBFGSLineSearch: 15 17:50:21 -131.010525 0.002937 LBFGSLineSearch: 16 17:50:22 -131.010536 0.004369 LBFGSLineSearch: 17 17:50:22 -131.010539 0.001949 LBFGSLineSearch: 18 17:50:23 -131.010540 0.001545 LBFGSLineSearch: 19 17:50:24 -131.010540 0.001384 LBFGSLineSearch: 20 17:50:24 -131.010541 0.000575 LBFGSLineSearch: 21 17:50:24 -131.010541 0.000350 LBFGSLineSearch: 22 17:50:24 -131.010541 0.000305 LBFGSLineSearch: 23 17:50:25 -131.010541 0.000317 LBFGSLineSearch: 24 17:50:25 -131.010541 0.000298 LBFGSLineSearch: 25 17:50:26 -131.010541 0.000057 LBFGSLineSearch: 26 17:50:26 -131.010541 0.000041 LBFGSLineSearch: 27 17:50:27 -131.010541 0.000031 LBFGSLineSearch: 28 17:50:28 -131.010541 0.000026 LBFGSLineSearch: 29 17:50:29 -131.010541 0.000016 LBFGSLineSearch: 30 17:50:29 -131.010541 0.000004 Minimization converged after 30 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:50:35 -131.698274 0.049126 LBFGSLineSearch: 1 17:50:37 -131.699201 0.012375 LBFGSLineSearch: 2 17:50:37 -131.699263 0.009412 LBFGSLineSearch: 3 17:50:38 -131.699286 0.013431 LBFGSLineSearch: 4 17:50:39 -131.699315 0.005139 LBFGSLineSearch: 5 17:50:39 -131.699334 0.005205 LBFGSLineSearch: 6 17:50:40 -131.699345 0.004268 LBFGSLineSearch: 7 17:50:40 -131.699350 0.005147 LBFGSLineSearch: 8 17:50:40 -131.699354 0.005986 LBFGSLineSearch: 9 17:50:41 -131.699361 0.007842 LBFGSLineSearch: 10 17:50:42 -131.699389 0.006005 LBFGSLineSearch: 11 17:50:43 -131.699397 0.006051 LBFGSLineSearch: 12 17:50:44 -131.699409 0.007484 LBFGSLineSearch: 13 17:50:44 -131.699441 0.001717 LBFGSLineSearch: 14 17:50:45 -131.699442 0.001932 LBFGSLineSearch: 15 17:50:45 -131.699443 0.001619 LBFGSLineSearch: 16 17:50:46 -131.699443 0.001304 LBFGSLineSearch: 17 17:50:47 -131.699443 0.000871 LBFGSLineSearch: 18 17:50:47 -131.699444 0.000718 LBFGSLineSearch: 19 17:50:48 -131.699444 0.000568 LBFGSLineSearch: 20 17:50:48 -131.699444 0.000309 LBFGSLineSearch: 21 17:50:49 -131.699444 0.000293 LBFGSLineSearch: 22 17:50:49 -131.699444 0.000158 LBFGSLineSearch: 23 17:50:50 -131.699444 0.000137 LBFGSLineSearch: 24 17:50:50 -131.699444 0.000132 LBFGSLineSearch: 25 17:50:51 -131.699444 0.000106 LBFGSLineSearch: 26 17:50:51 -131.699444 0.000038 LBFGSLineSearch: 27 17:50:52 -131.699444 0.000018 LBFGSLineSearch: 28 17:50:53 -131.699444 0.000013 LBFGSLineSearch: 29 17:50:54 -131.699444 0.000008 Minimization converged after 29 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:50:59 -132.389483 0.049296 LBFGSLineSearch: 1 17:51:01 -132.390427 0.012440 LBFGSLineSearch: 2 17:51:01 -132.390489 0.010204 LBFGSLineSearch: 3 17:51:03 -132.390513 0.013452 LBFGSLineSearch: 4 17:51:04 -132.390538 0.004730 LBFGSLineSearch: 5 17:51:04 -132.390550 0.003226 LBFGSLineSearch: 6 17:51:05 -132.390554 0.003685 LBFGSLineSearch: 7 17:51:05 -132.390559 0.004275 LBFGSLineSearch: 8 17:51:06 -132.390564 0.003941 LBFGSLineSearch: 9 17:51:07 -132.390575 0.003968 LBFGSLineSearch: 10 17:51:07 -132.390578 0.003363 LBFGSLineSearch: 11 17:51:08 -132.390581 0.004376 LBFGSLineSearch: 12 17:51:09 -132.390593 0.001139 LBFGSLineSearch: 13 17:51:09 -132.390594 0.001157 LBFGSLineSearch: 14 17:51:11 -132.390594 0.000770 LBFGSLineSearch: 15 17:51:11 -132.390594 0.000535 LBFGSLineSearch: 16 17:51:11 -132.390595 0.000453 LBFGSLineSearch: 17 17:51:12 -132.390595 0.000432 LBFGSLineSearch: 18 17:51:13 -132.390595 0.000388 LBFGSLineSearch: 19 17:51:14 -132.390595 0.000211 LBFGSLineSearch: 20 17:51:14 -132.390595 0.000068 LBFGSLineSearch: 21 17:51:14 -132.390595 0.000045 LBFGSLineSearch: 22 17:51:15 -132.390595 0.000021 LBFGSLineSearch: 23 17:51:16 -132.390595 0.000017 LBFGSLineSearch: 24 17:51:17 -132.390595 0.000008 Minimization converged after 24 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:51:23 -133.082855 0.049455 LBFGSLineSearch: 1 17:51:24 -133.083817 0.012567 LBFGSLineSearch: 2 17:51:25 -133.083880 0.010702 LBFGSLineSearch: 3 17:51:26 -133.083905 0.013173 LBFGSLineSearch: 4 17:51:28 -133.083927 0.004506 LBFGSLineSearch: 5 17:51:29 -133.083938 0.003021 LBFGSLineSearch: 6 17:51:29 -133.083941 0.003026 LBFGSLineSearch: 7 17:51:30 -133.083944 0.003385 LBFGSLineSearch: 8 17:51:30 -133.083948 0.003141 LBFGSLineSearch: 9 17:51:31 -133.083955 0.002972 LBFGSLineSearch: 10 17:51:31 -133.083956 0.002812 LBFGSLineSearch: 11 17:51:32 -133.083965 0.001601 LBFGSLineSearch: 12 17:51:32 -133.083965 0.001158 LBFGSLineSearch: 13 17:51:33 -133.083966 0.000680 LBFGSLineSearch: 14 17:51:33 -133.083966 0.000362 LBFGSLineSearch: 15 17:51:34 -133.083966 0.000379 LBFGSLineSearch: 16 17:51:34 -133.083966 0.000330 LBFGSLineSearch: 17 17:51:36 -133.083966 0.000163 LBFGSLineSearch: 18 17:51:36 -133.083966 0.000170 LBFGSLineSearch: 19 17:51:36 -133.083966 0.000074 LBFGSLineSearch: 20 17:51:37 -133.083966 0.000036 LBFGSLineSearch: 21 17:51:37 -133.083966 0.000013 LBFGSLineSearch: 22 17:51:38 -133.083966 0.000003 Minimization converged after 22 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:51:44 -133.778452 0.049609 LBFGSLineSearch: 1 17:51:45 -133.779434 0.012712 LBFGSLineSearch: 2 17:51:46 -133.779496 0.011014 LBFGSLineSearch: 3 17:51:46 -133.779523 0.012798 LBFGSLineSearch: 4 17:51:47 -133.779543 0.004431 LBFGSLineSearch: 5 17:51:48 -133.779553 0.002983 LBFGSLineSearch: 6 17:51:49 -133.779556 0.003565 LBFGSLineSearch: 7 17:51:51 -133.779561 0.002621 LBFGSLineSearch: 8 17:51:52 -133.779565 0.002880 LBFGSLineSearch: 9 17:51:53 -133.779566 0.002304 LBFGSLineSearch: 10 17:51:53 -133.779567 0.002290 LBFGSLineSearch: 11 17:51:53 -133.779572 0.001850 LBFGSLineSearch: 12 17:51:54 -133.779573 0.000641 LBFGSLineSearch: 13 17:51:54 -133.779573 0.000599 LBFGSLineSearch: 14 17:51:55 -133.779574 0.000401 LBFGSLineSearch: 15 17:51:56 -133.779574 0.000317 LBFGSLineSearch: 16 17:51:56 -133.779574 0.000286 LBFGSLineSearch: 17 17:51:57 -133.779574 0.000159 LBFGSLineSearch: 18 17:51:58 -133.779574 0.000073 LBFGSLineSearch: 19 17:51:59 -133.779574 0.000072 LBFGSLineSearch: 20 17:52:00 -133.779574 0.000031 LBFGSLineSearch: 21 17:52:01 -133.779574 0.000009 Minimization converged after 21 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:52:07 -134.476308 0.049776 LBFGSLineSearch: 1 17:52:07 -134.477312 0.012898 LBFGSLineSearch: 2 17:52:08 -134.477375 0.011227 LBFGSLineSearch: 3 17:52:08 -134.477402 0.012333 LBFGSLineSearch: 4 17:52:09 -134.477421 0.004539 LBFGSLineSearch: 5 17:52:10 -134.477431 0.002954 LBFGSLineSearch: 6 17:52:10 -134.477434 0.003381 LBFGSLineSearch: 7 17:52:10 -134.477438 0.002205 LBFGSLineSearch: 8 17:52:11 -134.477441 0.002286 LBFGSLineSearch: 9 17:52:11 -134.477442 0.001844 LBFGSLineSearch: 10 17:52:12 -134.477443 0.001790 LBFGSLineSearch: 11 17:52:12 -134.477445 0.001327 LBFGSLineSearch: 12 17:52:12 -134.477446 0.001817 LBFGSLineSearch: 13 17:52:13 -134.477446 0.001365 LBFGSLineSearch: 14 17:52:13 -134.477447 0.000401 LBFGSLineSearch: 15 17:52:14 -134.477447 0.000270 LBFGSLineSearch: 16 17:52:15 -134.477447 0.000287 LBFGSLineSearch: 17 17:52:16 -134.477447 0.000280 LBFGSLineSearch: 18 17:52:16 -134.477447 0.000198 LBFGSLineSearch: 19 17:52:16 -134.477447 0.000151 LBFGSLineSearch: 20 17:52:17 -134.477447 0.000101 LBFGSLineSearch: 21 17:52:17 -134.477447 0.000050 LBFGSLineSearch: 22 17:52:17 -134.477447 0.000046 LBFGSLineSearch: 23 17:52:18 -134.477447 0.000002 Minimization converged after 23 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:52:24 -135.176465 0.049932 LBFGSLineSearch: 1 17:52:25 -135.177493 0.013127 LBFGSLineSearch: 2 17:52:26 -135.177556 0.011333 LBFGSLineSearch: 3 17:52:26 -135.177585 0.011804 LBFGSLineSearch: 4 17:52:28 -135.177602 0.004664 LBFGSLineSearch: 5 17:52:28 -135.177613 0.002943 LBFGSLineSearch: 6 17:52:29 -135.177615 0.003283 LBFGSLineSearch: 7 17:52:29 -135.177619 0.001813 LBFGSLineSearch: 8 17:52:29 -135.177621 0.001733 LBFGSLineSearch: 9 17:52:30 -135.177621 0.001410 LBFGSLineSearch: 10 17:52:30 -135.177622 0.001319 LBFGSLineSearch: 11 17:52:30 -135.177623 0.001258 LBFGSLineSearch: 12 17:52:31 -135.177623 0.001842 LBFGSLineSearch: 13 17:52:32 -135.177625 0.000429 LBFGSLineSearch: 14 17:52:32 -135.177625 0.000310 LBFGSLineSearch: 15 17:52:33 -135.177625 0.000279 LBFGSLineSearch: 16 17:52:34 -135.177625 0.000317 LBFGSLineSearch: 17 17:52:34 -135.177625 0.000104 LBFGSLineSearch: 18 17:52:35 -135.177625 0.000075 LBFGSLineSearch: 19 17:52:35 -135.177625 0.000084 LBFGSLineSearch: 20 17:52:35 -135.177625 0.000043 LBFGSLineSearch: 21 17:52:36 -135.177625 0.000024 LBFGSLineSearch: 22 17:52:37 -135.177625 0.000017 LBFGSLineSearch: 23 17:52:37 -135.177625 0.000003 Minimization converged after 23 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:52:43 -135.878971 0.050100 LBFGSLineSearch: 1 17:52:44 -135.880028 0.013436 LBFGSLineSearch: 2 17:52:44 -135.880093 0.011202 LBFGSLineSearch: 3 17:52:45 -135.880121 0.011659 LBFGSLineSearch: 4 17:52:45 -135.880139 0.004947 LBFGSLineSearch: 5 17:52:47 -135.880150 0.003007 LBFGSLineSearch: 6 17:52:47 -135.880153 0.003490 LBFGSLineSearch: 7 17:52:48 -135.880156 0.001211 LBFGSLineSearch: 8 17:52:49 -135.880157 0.001134 LBFGSLineSearch: 9 17:52:50 -135.880157 0.000849 LBFGSLineSearch: 10 17:52:51 -135.880158 0.001104 LBFGSLineSearch: 11 17:52:53 -135.880158 0.000764 LBFGSLineSearch: 12 17:52:54 -135.880159 0.000356 LBFGSLineSearch: 13 17:52:55 -135.880159 0.000339 LBFGSLineSearch: 14 17:52:56 -135.880159 0.000415 LBFGSLineSearch: 15 17:52:57 -135.880159 0.000395 LBFGSLineSearch: 16 17:52:59 -135.880159 0.000247 LBFGSLineSearch: 17 17:53:00 -135.880159 0.000229 LBFGSLineSearch: 18 17:53:01 -135.880159 0.000241 LBFGSLineSearch: 19 17:53:02 -135.880159 0.000076 LBFGSLineSearch: 20 17:53:03 -135.880159 0.000034 LBFGSLineSearch: 21 17:53:03 -135.880159 0.000014 LBFGSLineSearch: 22 17:53:05 -135.880159 0.000012 LBFGSLineSearch: 23 17:53:05 -135.880159 0.000006 Minimization converged after 23 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:11 -136.583896 0.050269 LBFGSLineSearch: 1 17:53:12 -136.584995 0.013946 LBFGSLineSearch: 2 17:53:12 -136.585071 0.010518 LBFGSLineSearch: 3 17:53:13 -136.585103 0.014006 LBFGSLineSearch: 4 17:53:14 -136.585137 0.007400 LBFGSLineSearch: 5 17:53:14 -136.585185 0.012739 LBFGSLineSearch: 6 17:53:16 -136.585349 0.018004 LBFGSLineSearch: 7 17:53:18 -136.585414 0.013906 LBFGSLineSearch: 8 17:53:19 -136.585467 0.011116 LBFGSLineSearch: 9 17:53:19 -136.585487 0.009405 LBFGSLineSearch: 10 17:53:20 -136.585527 0.010255 LBFGSLineSearch: 11 17:53:20 -136.585566 0.006888 LBFGSLineSearch: 12 17:53:21 -136.585582 0.005062 LBFGSLineSearch: 13 17:53:22 -136.585592 0.006219 LBFGSLineSearch: 14 17:53:24 -136.585618 0.002703 LBFGSLineSearch: 15 17:53:25 -136.585621 0.002513 LBFGSLineSearch: 16 17:53:25 -136.585623 0.002866 LBFGSLineSearch: 17 17:53:26 -136.585631 0.001280 LBFGSLineSearch: 18 17:53:27 -136.585632 0.001375 LBFGSLineSearch: 19 17:53:28 -136.585632 0.001163 LBFGSLineSearch: 20 17:53:29 -136.585633 0.000904 LBFGSLineSearch: 21 17:53:31 -136.585633 0.000707 LBFGSLineSearch: 22 17:53:32 -136.585633 0.000905 LBFGSLineSearch: 23 17:53:33 -136.585634 0.000432 LBFGSLineSearch: 24 17:53:33 -136.585634 0.000450 LBFGSLineSearch: 25 17:53:34 -136.585634 0.000103 LBFGSLineSearch: 26 17:53:34 -136.585634 0.000093 LBFGSLineSearch: 27 17:53:34 -136.585634 0.000082 LBFGSLineSearch: 28 17:53:34 -136.585634 0.000021 LBFGSLineSearch: 29 17:53:35 -136.585634 0.000021 LBFGSLineSearch: 30 17:53:35 -136.585634 0.000002 Minimization converged after 30 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:41 -137.292218 0.050471 LBFGSLineSearch: 1 17:53:44 -137.293321 0.014397 LBFGSLineSearch: 2 17:53:46 -137.293394 0.011115 LBFGSLineSearch: 3 17:53:47 -137.293422 0.013350 LBFGSLineSearch: 4 17:53:48 -137.293445 0.005107 LBFGSLineSearch: 5 17:53:49 -137.293458 0.003248 LBFGSLineSearch: 6 17:53:49 -137.293461 0.003683 LBFGSLineSearch: 7 17:53:49 -137.293465 0.001349 LBFGSLineSearch: 8 17:53:50 -137.293466 0.001365 LBFGSLineSearch: 9 17:53:50 -137.293467 0.001136 LBFGSLineSearch: 10 17:53:50 -137.293467 0.001026 LBFGSLineSearch: 11 17:53:51 -137.293467 0.000938 LBFGSLineSearch: 12 17:53:51 -137.293468 0.001301 LBFGSLineSearch: 13 17:53:51 -137.293468 0.000429 LBFGSLineSearch: 14 17:53:52 -137.293468 0.000296 LBFGSLineSearch: 15 17:53:52 -137.293468 0.000260 LBFGSLineSearch: 16 17:53:52 -137.293468 0.000301 LBFGSLineSearch: 17 17:53:52 -137.293468 0.000142 LBFGSLineSearch: 18 17:53:53 -137.293468 0.000122 LBFGSLineSearch: 19 17:53:53 -137.293468 0.000085 LBFGSLineSearch: 20 17:53:54 -137.293468 0.000054 LBFGSLineSearch: 21 17:53:54 -137.293468 0.000008 Minimization converged after 21 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:01 -138.002563 0.050657 LBFGSLineSearch: 1 17:54:02 -138.003689 0.014643 LBFGSLineSearch: 2 17:54:03 -138.003764 0.011327 LBFGSLineSearch: 3 17:54:04 -138.003793 0.013497 LBFGSLineSearch: 4 17:54:04 -138.003817 0.005231 LBFGSLineSearch: 5 17:54:05 -138.003830 0.003279 LBFGSLineSearch: 6 17:54:05 -138.003833 0.003727 LBFGSLineSearch: 7 17:54:06 -138.003838 0.001183 LBFGSLineSearch: 8 17:54:09 -138.003839 0.001174 LBFGSLineSearch: 9 17:54:10 -138.003839 0.000988 LBFGSLineSearch: 10 17:54:10 -138.003839 0.000918 LBFGSLineSearch: 11 17:54:11 -138.003840 0.000858 LBFGSLineSearch: 12 17:54:11 -138.003840 0.001147 LBFGSLineSearch: 13 17:54:12 -138.003841 0.000270 LBFGSLineSearch: 14 17:54:13 -138.003841 0.000312 LBFGSLineSearch: 15 17:54:13 -138.003841 0.000279 LBFGSLineSearch: 16 17:54:15 -138.003841 0.000214 LBFGSLineSearch: 17 17:54:17 -138.003841 0.000112 LBFGSLineSearch: 18 17:54:18 -138.003841 0.000041 LBFGSLineSearch: 19 17:54:19 -138.003841 0.000036 LBFGSLineSearch: 20 17:54:21 -138.003841 0.000006 Minimization converged after 20 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:27 -138.715501 0.050839 LBFGSLineSearch: 1 17:54:28 -138.716651 0.014907 LBFGSLineSearch: 2 17:54:29 -138.716729 0.011519 LBFGSLineSearch: 3 17:54:29 -138.716760 0.013690 LBFGSLineSearch: 4 17:54:29 -138.716785 0.005362 LBFGSLineSearch: 5 17:54:30 -138.716798 0.003316 LBFGSLineSearch: 6 17:54:30 -138.716801 0.003792 LBFGSLineSearch: 7 17:54:30 -138.716806 0.001111 LBFGSLineSearch: 8 17:54:31 -138.716807 0.001038 LBFGSLineSearch: 9 17:54:31 -138.716807 0.000855 LBFGSLineSearch: 10 17:54:32 -138.716807 0.000828 LBFGSLineSearch: 11 17:54:33 -138.716808 0.000772 LBFGSLineSearch: 12 17:54:34 -138.716808 0.000832 LBFGSLineSearch: 13 17:54:35 -138.716808 0.000361 LBFGSLineSearch: 14 17:54:35 -138.716808 0.000243 LBFGSLineSearch: 15 17:54:35 -138.716808 0.000228 LBFGSLineSearch: 16 17:54:36 -138.716808 0.000248 LBFGSLineSearch: 17 17:54:36 -138.716808 0.000096 LBFGSLineSearch: 18 17:54:38 -138.716808 0.000046 LBFGSLineSearch: 19 17:54:41 -138.716808 0.000046 LBFGSLineSearch: 20 17:54:41 -138.716808 0.000005 Minimization converged after 20 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:47 -139.431094 0.051025 LBFGSLineSearch: 1 17:54:48 -139.432271 0.015091 LBFGSLineSearch: 2 17:54:48 -139.432351 0.011592 LBFGSLineSearch: 3 17:54:49 -139.432383 0.013909 LBFGSLineSearch: 4 17:54:49 -139.432409 0.005502 LBFGSLineSearch: 5 17:54:50 -139.432423 0.003405 LBFGSLineSearch: 6 17:54:51 -139.432426 0.003856 LBFGSLineSearch: 7 17:54:52 -139.432432 0.001127 LBFGSLineSearch: 8 17:54:53 -139.432432 0.000878 LBFGSLineSearch: 9 17:54:54 -139.432433 0.000686 LBFGSLineSearch: 10 17:54:55 -139.432433 0.000785 LBFGSLineSearch: 11 17:54:57 -139.432433 0.000693 LBFGSLineSearch: 12 17:54:57 -139.432433 0.000639 LBFGSLineSearch: 13 17:54:59 -139.432433 0.000860 LBFGSLineSearch: 14 17:55:00 -139.432433 0.000231 LBFGSLineSearch: 15 17:55:00 -139.432433 0.000181 LBFGSLineSearch: 16 17:55:01 -139.432434 0.000211 LBFGSLineSearch: 17 17:55:01 -139.432434 0.000082 LBFGSLineSearch: 18 17:55:02 -139.432434 0.000063 LBFGSLineSearch: 19 17:55:02 -139.432434 0.000039 LBFGSLineSearch: 20 17:55:03 -139.432434 0.000014 LBFGSLineSearch: 21 17:55:05 -139.432434 0.000002 Minimization converged after 21 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:12 -140.149409 0.051215 LBFGSLineSearch: 1 17:55:14 -140.150613 0.015157 LBFGSLineSearch: 2 17:55:15 -140.150688 0.011497 LBFGSLineSearch: 3 17:55:15 -140.150725 0.012834 LBFGSLineSearch: 4 17:55:16 -140.150757 0.005650 LBFGSLineSearch: 5 17:55:17 -140.150772 0.003556 LBFGSLineSearch: 6 17:55:17 -140.150776 0.003983 LBFGSLineSearch: 7 17:55:18 -140.150781 0.001142 LBFGSLineSearch: 8 17:55:19 -140.150782 0.001020 LBFGSLineSearch: 9 17:55:20 -140.150782 0.000730 LBFGSLineSearch: 10 17:55:21 -140.150783 0.000618 LBFGSLineSearch: 11 17:55:22 -140.150783 0.000579 LBFGSLineSearch: 12 17:55:22 -140.150783 0.000681 LBFGSLineSearch: 13 17:55:24 -140.150783 0.000228 LBFGSLineSearch: 14 17:55:24 -140.150783 0.000175 LBFGSLineSearch: 15 17:55:24 -140.150783 0.000155 LBFGSLineSearch: 16 17:55:24 -140.150783 0.000172 LBFGSLineSearch: 17 17:55:25 -140.150783 0.000071 LBFGSLineSearch: 18 17:55:25 -140.150783 0.000090 LBFGSLineSearch: 19 17:55:26 -140.150783 0.000046 LBFGSLineSearch: 20 17:55:26 -140.150783 0.000032 LBFGSLineSearch: 21 17:55:28 -140.150783 0.000040 LBFGSLineSearch: 22 17:55:28 -140.150783 0.000010 Minimization converged after 22 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:34 -140.870518 0.051416 LBFGSLineSearch: 1 17:55:36 -140.871749 0.015242 LBFGSLineSearch: 2 17:55:37 -140.871815 0.010007 LBFGSLineSearch: 3 17:55:38 -140.871865 0.013715 LBFGSLineSearch: 4 17:55:39 -140.871901 0.005828 LBFGSLineSearch: 5 17:55:40 -140.871917 0.003488 LBFGSLineSearch: 6 17:55:40 -140.871921 0.004140 LBFGSLineSearch: 7 17:55:41 -140.871927 0.001082 LBFGSLineSearch: 8 17:55:41 -140.871927 0.000982 LBFGSLineSearch: 9 17:55:42 -140.871928 0.000748 LBFGSLineSearch: 10 17:55:42 -140.871928 0.000707 LBFGSLineSearch: 11 17:55:44 -140.871928 0.000492 LBFGSLineSearch: 12 17:55:45 -140.871928 0.000145 LBFGSLineSearch: 13 17:55:46 -140.871928 0.000149 LBFGSLineSearch: 14 17:55:47 -140.871928 0.000131 LBFGSLineSearch: 15 17:55:48 -140.871928 0.000128 LBFGSLineSearch: 16 17:55:49 -140.871928 0.000062 LBFGSLineSearch: 17 17:55:49 -140.871928 0.000071 LBFGSLineSearch: 18 17:55:50 -140.871928 0.000042 LBFGSLineSearch: 19 17:55:51 -140.871928 0.000032 LBFGSLineSearch: 20 17:55:52 -140.871928 0.000034 LBFGSLineSearch: 21 17:55:54 -140.871928 0.000005 Minimization converged after 21 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:00 -141.594496 0.051613 LBFGSLineSearch: 1 17:56:01 -141.595755 0.015308 LBFGSLineSearch: 2 17:56:02 -141.595815 0.011313 LBFGSLineSearch: 3 17:56:02 -141.595877 0.014265 LBFGSLineSearch: 4 17:56:03 -141.595916 0.006002 LBFGSLineSearch: 5 17:56:04 -141.595934 0.003544 LBFGSLineSearch: 6 17:56:04 -141.595937 0.004256 LBFGSLineSearch: 7 17:56:04 -141.595944 0.001139 LBFGSLineSearch: 8 17:56:05 -141.595944 0.000988 LBFGSLineSearch: 9 17:56:05 -141.595945 0.000829 LBFGSLineSearch: 10 17:56:06 -141.595945 0.000696 LBFGSLineSearch: 11 17:56:06 -141.595945 0.000505 LBFGSLineSearch: 12 17:56:07 -141.595945 0.000412 LBFGSLineSearch: 13 17:56:08 -141.595945 0.000273 LBFGSLineSearch: 14 17:56:09 -141.595945 0.000105 LBFGSLineSearch: 15 17:56:09 -141.595945 0.000095 LBFGSLineSearch: 16 17:56:09 -141.595945 0.000073 LBFGSLineSearch: 17 17:56:10 -141.595945 0.000081 LBFGSLineSearch: 18 17:56:11 -141.595945 0.000071 LBFGSLineSearch: 19 17:56:11 -141.595945 0.000051 LBFGSLineSearch: 20 17:56:11 -141.595945 0.000046 LBFGSLineSearch: 21 17:56:12 -141.595945 0.000041 LBFGSLineSearch: 22 17:56:12 -141.595945 0.000028 LBFGSLineSearch: 23 17:56:13 -141.595945 0.000031 LBFGSLineSearch: 24 17:56:13 -141.595945 0.000020 LBFGSLineSearch: 25 17:56:14 -141.595945 0.000010 Minimization converged after 25 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:20 -142.321425 0.051827 LBFGSLineSearch: 1 17:56:21 -142.322713 0.015400 LBFGSLineSearch: 2 17:56:21 -142.322770 0.012673 LBFGSLineSearch: 3 17:56:22 -142.322844 0.014673 LBFGSLineSearch: 4 17:56:22 -142.322885 0.006192 LBFGSLineSearch: 5 17:56:23 -142.322904 0.003610 LBFGSLineSearch: 6 17:56:23 -142.322907 0.003717 LBFGSLineSearch: 7 17:56:24 -142.322911 0.003515 LBFGSLineSearch: 8 17:56:25 -142.322915 0.001155 LBFGSLineSearch: 9 17:56:25 -142.322916 0.000796 LBFGSLineSearch: 10 17:56:27 -142.322916 0.000849 LBFGSLineSearch: 11 17:56:28 -142.322916 0.000459 LBFGSLineSearch: 12 17:56:29 -142.322916 0.000188 LBFGSLineSearch: 13 17:56:31 -142.322916 0.000102 LBFGSLineSearch: 14 17:56:32 -142.322916 0.000072 LBFGSLineSearch: 15 17:56:33 -142.322916 0.000043 LBFGSLineSearch: 16 17:56:34 -142.322916 0.000035 LBFGSLineSearch: 17 17:56:35 -142.322916 0.000023 LBFGSLineSearch: 18 17:56:35 -142.322916 0.000022 LBFGSLineSearch: 19 17:56:36 -142.322916 0.000017 LBFGSLineSearch: 20 17:56:37 -142.322916 0.000009 Minimization converged after 20 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:44 -143.051393 0.052038 LBFGSLineSearch: 1 17:56:46 -143.052711 0.015494 LBFGSLineSearch: 2 17:56:46 -143.052768 0.013763 LBFGSLineSearch: 3 17:56:47 -143.052852 0.015040 LBFGSLineSearch: 4 17:56:48 -143.052896 0.006391 LBFGSLineSearch: 5 17:56:48 -143.052916 0.003682 LBFGSLineSearch: 6 17:56:49 -143.052919 0.003871 LBFGSLineSearch: 7 17:56:49 -143.052924 0.003701 LBFGSLineSearch: 8 17:56:49 -143.052928 0.001246 LBFGSLineSearch: 9 17:56:50 -143.052929 0.000879 LBFGSLineSearch: 10 17:56:50 -143.052929 0.000944 LBFGSLineSearch: 11 17:56:51 -143.052929 0.000476 LBFGSLineSearch: 12 17:56:51 -143.052929 0.000217 LBFGSLineSearch: 13 17:56:51 -143.052929 0.000108 LBFGSLineSearch: 14 17:56:52 -143.052929 0.000078 LBFGSLineSearch: 15 17:56:53 -143.052929 0.000038 LBFGSLineSearch: 16 17:56:53 -143.052929 0.000025 LBFGSLineSearch: 17 17:56:55 -143.052929 0.000024 LBFGSLineSearch: 18 17:56:55 -143.052929 0.000022 LBFGSLineSearch: 19 17:56:56 -143.052929 0.000012 LBFGSLineSearch: 20 17:56:56 -143.052929 0.000008 Minimization converged after 20 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:02 -143.784495 0.052257 LBFGSLineSearch: 1 17:57:04 -143.785844 0.015602 LBFGSLineSearch: 2 17:57:04 -143.785904 0.014630 LBFGSLineSearch: 3 17:57:04 -143.785997 0.015408 LBFGSLineSearch: 4 17:57:05 -143.786043 0.006604 LBFGSLineSearch: 5 17:57:05 -143.786065 0.003764 LBFGSLineSearch: 6 17:57:05 -143.786069 0.004043 LBFGSLineSearch: 7 17:57:06 -143.786073 0.003900 LBFGSLineSearch: 8 17:57:06 -143.786078 0.001366 LBFGSLineSearch: 9 17:57:07 -143.786079 0.000988 LBFGSLineSearch: 10 17:57:07 -143.786079 0.001065 LBFGSLineSearch: 11 17:57:07 -143.786080 0.000519 LBFGSLineSearch: 12 17:57:09 -143.786080 0.000759 LBFGSLineSearch: 13 17:57:09 -143.786080 0.000109 LBFGSLineSearch: 14 17:57:10 -143.786080 0.000068 LBFGSLineSearch: 15 17:57:11 -143.786080 0.000070 LBFGSLineSearch: 16 17:57:11 -143.786080 0.000053 LBFGSLineSearch: 17 17:57:12 -143.786080 0.000048 LBFGSLineSearch: 18 17:57:12 -143.786080 0.000022 LBFGSLineSearch: 19 17:57:13 -143.786080 0.000020 LBFGSLineSearch: 20 17:57:13 -143.786080 0.000009 Minimization converged after 20 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:20 -144.520833 0.052486 LBFGSLineSearch: 1 17:57:22 -144.522215 0.015724 LBFGSLineSearch: 2 17:57:22 -144.522269 0.015510 LBFGSLineSearch: 3 17:57:23 -144.522334 0.010565 LBFGSLineSearch: 4 17:57:24 -144.522406 0.012739 LBFGSLineSearch: 5 17:57:25 -144.522439 0.007292 LBFGSLineSearch: 6 17:57:25 -144.522458 0.003813 LBFGSLineSearch: 7 17:57:26 -144.522462 0.004518 LBFGSLineSearch: 8 17:57:27 -144.522469 0.001509 LBFGSLineSearch: 9 17:57:27 -144.522470 0.001108 LBFGSLineSearch: 10 17:57:27 -144.522471 0.001151 LBFGSLineSearch: 11 17:57:28 -144.522471 0.001073 LBFGSLineSearch: 12 17:57:28 -144.522471 0.000506 LBFGSLineSearch: 13 17:57:29 -144.522472 0.000153 LBFGSLineSearch: 14 17:57:29 -144.522472 0.000103 LBFGSLineSearch: 15 17:57:29 -144.522472 0.000101 LBFGSLineSearch: 16 17:57:29 -144.522472 0.000111 LBFGSLineSearch: 17 17:57:30 -144.522472 0.000114 LBFGSLineSearch: 18 17:57:30 -144.522472 0.000086 LBFGSLineSearch: 19 17:57:30 -144.522472 0.000060 LBFGSLineSearch: 20 17:57:31 -144.522472 0.000067 LBFGSLineSearch: 21 17:57:31 -144.522472 0.000051 LBFGSLineSearch: 22 17:57:31 -144.522472 0.000022 LBFGSLineSearch: 23 17:57:31 -144.522472 0.000016 LBFGSLineSearch: 24 17:57:32 -144.522472 0.000010 LBFGSLineSearch: 25 17:57:32 -144.522472 0.000007 Minimization converged after 25 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:37 -145.260520 0.052722 LBFGSLineSearch: 1 17:57:38 -145.261936 0.015858 LBFGSLineSearch: 2 17:57:38 -145.261997 0.015980 LBFGSLineSearch: 3 17:57:38 -145.262065 0.011145 LBFGSLineSearch: 4 17:57:39 -145.262144 0.013208 LBFGSLineSearch: 5 17:57:39 -145.262180 0.007739 LBFGSLineSearch: 6 17:57:40 -145.262201 0.003975 LBFGSLineSearch: 7 17:57:40 -145.262205 0.004762 LBFGSLineSearch: 8 17:57:40 -145.262213 0.001687 LBFGSLineSearch: 9 17:57:40 -145.262215 0.001293 LBFGSLineSearch: 10 17:57:41 -145.262215 0.001315 LBFGSLineSearch: 11 17:57:42 -145.262215 0.001233 LBFGSLineSearch: 12 17:57:42 -145.262215 0.000548 LBFGSLineSearch: 13 17:57:42 -145.262216 0.000182 LBFGSLineSearch: 14 17:57:43 -145.262216 0.000142 LBFGSLineSearch: 15 17:57:43 -145.262216 0.000162 LBFGSLineSearch: 16 17:57:44 -145.262216 0.000153 LBFGSLineSearch: 17 17:57:45 -145.262216 0.000089 LBFGSLineSearch: 18 17:57:46 -145.262216 0.000044 LBFGSLineSearch: 19 17:57:46 -145.262216 0.000016 LBFGSLineSearch: 20 17:57:47 -145.262216 0.000008 Minimization converged after 20 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:53 -146.003677 0.052967 LBFGSLineSearch: 1 17:57:56 -146.005128 0.016004 LBFGSLineSearch: 2 17:57:57 -146.005200 0.016493 LBFGSLineSearch: 3 17:57:58 -146.005270 0.011688 LBFGSLineSearch: 4 17:57:59 -146.005357 0.013678 LBFGSLineSearch: 5 17:58:00 -146.005395 0.008232 LBFGSLineSearch: 6 17:58:01 -146.005419 0.004154 LBFGSLineSearch: 7 17:58:02 -146.005423 0.005024 LBFGSLineSearch: 8 17:58:03 -146.005432 0.001899 LBFGSLineSearch: 9 17:58:04 -146.005434 0.001516 LBFGSLineSearch: 10 17:58:04 -146.005435 0.001508 LBFGSLineSearch: 11 17:58:04 -146.005435 0.001422 LBFGSLineSearch: 12 17:58:05 -146.005435 0.000630 LBFGSLineSearch: 13 17:58:06 -146.005436 0.001447 LBFGSLineSearch: 14 17:58:06 -146.005436 0.000189 LBFGSLineSearch: 15 17:58:07 -146.005436 0.000192 LBFGSLineSearch: 16 17:58:07 -146.005436 0.000190 LBFGSLineSearch: 17 17:58:08 -146.005436 0.000129 LBFGSLineSearch: 18 17:58:08 -146.005437 0.000096 LBFGSLineSearch: 19 17:58:09 -146.005437 0.000099 LBFGSLineSearch: 20 17:58:09 -146.005437 0.000074 LBFGSLineSearch: 21 17:58:09 -146.005437 0.000021 LBFGSLineSearch: 22 17:58:10 -146.005437 0.000011 LBFGSLineSearch: 23 17:58:10 -146.005437 0.000008 Minimization converged after 23 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:16 -146.750438 0.053220 LBFGSLineSearch: 1 17:58:17 -146.751925 0.016168 LBFGSLineSearch: 2 17:58:18 -146.752009 0.017056 LBFGSLineSearch: 3 17:58:19 -146.752084 0.012213 LBFGSLineSearch: 4 17:58:19 -146.752178 0.014167 LBFGSLineSearch: 5 17:58:20 -146.752220 0.008775 LBFGSLineSearch: 6 17:58:21 -146.752246 0.004350 LBFGSLineSearch: 7 17:58:21 -146.752251 0.005306 LBFGSLineSearch: 8 17:58:22 -146.752262 0.002150 LBFGSLineSearch: 9 17:58:23 -146.752264 0.001782 LBFGSLineSearch: 10 17:58:24 -146.752264 0.001735 LBFGSLineSearch: 11 17:58:24 -146.752265 0.001646 LBFGSLineSearch: 12 17:58:26 -146.752266 0.000815 LBFGSLineSearch: 13 17:58:27 -146.752266 0.001224 LBFGSLineSearch: 14 17:58:27 -146.752267 0.000238 LBFGSLineSearch: 15 17:58:28 -146.752267 0.000224 LBFGSLineSearch: 16 17:58:28 -146.752267 0.000225 LBFGSLineSearch: 17 17:58:29 -146.752267 0.000221 LBFGSLineSearch: 18 17:58:30 -146.752267 0.000190 LBFGSLineSearch: 19 17:58:31 -146.752267 0.000115 LBFGSLineSearch: 20 17:58:31 -146.752267 0.000012 LBFGSLineSearch: 21 17:58:31 -146.752267 0.000013 LBFGSLineSearch: 22 17:58:32 -146.752267 0.000009 Minimization converged after 22 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:38 -147.500951 0.053484 LBFGSLineSearch: 1 17:58:38 -147.502476 0.016352 LBFGSLineSearch: 2 17:58:39 -147.502574 0.017677 LBFGSLineSearch: 3 17:58:39 -147.502654 0.012741 LBFGSLineSearch: 4 17:58:40 -147.502757 0.014686 LBFGSLineSearch: 5 17:58:40 -147.502803 0.009380 LBFGSLineSearch: 6 17:58:41 -147.502831 0.004570 LBFGSLineSearch: 7 17:58:41 -147.502837 0.005613 LBFGSLineSearch: 8 17:58:42 -147.502849 0.002334 LBFGSLineSearch: 9 17:58:43 -147.502850 0.002506 LBFGSLineSearch: 10 17:58:43 -147.502853 0.002069 LBFGSLineSearch: 11 17:58:44 -147.502853 0.001587 LBFGSLineSearch: 12 17:58:45 -147.502855 0.000846 LBFGSLineSearch: 13 17:58:46 -147.502856 0.000623 LBFGSLineSearch: 14 17:58:46 -147.502857 0.000288 LBFGSLineSearch: 15 17:58:46 -147.502857 0.000286 LBFGSLineSearch: 16 17:58:46 -147.502857 0.000271 LBFGSLineSearch: 17 17:58:47 -147.502857 0.000253 LBFGSLineSearch: 18 17:58:47 -147.502857 0.000378 LBFGSLineSearch: 19 17:58:47 -147.502857 0.000106 LBFGSLineSearch: 20 17:58:48 -147.502857 0.000119 LBFGSLineSearch: 21 17:58:48 -147.502857 0.000107 LBFGSLineSearch: 22 17:58:49 -147.502857 0.000019 LBFGSLineSearch: 23 17:58:49 -147.502857 0.000012 LBFGSLineSearch: 24 17:58:50 -147.502857 0.000009 Minimization converged after 24 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:56 -148.255380 0.053758 LBFGSLineSearch: 1 17:58:56 -148.256944 0.016559 LBFGSLineSearch: 2 17:58:56 -148.257059 0.018365 LBFGSLineSearch: 3 17:58:57 -148.257146 0.013289 LBFGSLineSearch: 4 17:58:57 -148.257258 0.015246 LBFGSLineSearch: 5 17:58:57 -148.257308 0.010063 LBFGSLineSearch: 6 17:58:57 -148.257340 0.004819 LBFGSLineSearch: 7 17:58:58 -148.257345 0.005222 LBFGSLineSearch: 8 17:58:58 -148.257354 0.004725 LBFGSLineSearch: 9 17:58:58 -148.257362 0.002812 LBFGSLineSearch: 10 17:58:59 -148.257366 0.002163 LBFGSLineSearch: 11 17:58:59 -148.257366 0.002349 LBFGSLineSearch: 12 17:59:00 -148.257368 0.001187 LBFGSLineSearch: 13 17:59:00 -148.257369 0.001006 LBFGSLineSearch: 14 17:59:00 -148.257369 0.002093 LBFGSLineSearch: 15 17:59:01 -148.257371 0.000329 LBFGSLineSearch: 16 17:59:01 -148.257371 0.000343 LBFGSLineSearch: 17 17:59:02 -148.257371 0.000335 LBFGSLineSearch: 18 17:59:03 -148.257371 0.000277 LBFGSLineSearch: 19 17:59:03 -148.257371 0.000195 LBFGSLineSearch: 20 17:59:04 -148.257371 0.000133 LBFGSLineSearch: 21 17:59:05 -148.257371 0.000012 LBFGSLineSearch: 22 17:59:05 -148.257371 0.000009 Minimization converged after 22 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:59:11 -149.013908 0.054046 LBFGSLineSearch: 1 17:59:12 -149.015515 0.016788 LBFGSLineSearch: 2 17:59:13 -149.015649 0.019130 LBFGSLineSearch: 3 17:59:14 -149.015744 0.013869 LBFGSLineSearch: 4 17:59:15 -149.015867 0.015860 LBFGSLineSearch: 5 17:59:15 -149.015922 0.010841 LBFGSLineSearch: 6 17:59:16 -149.015958 0.005107 LBFGSLineSearch: 7 17:59:17 -149.015965 0.005596 LBFGSLineSearch: 8 17:59:17 -149.015974 0.005148 LBFGSLineSearch: 9 17:59:18 -149.015985 0.003248 LBFGSLineSearch: 10 17:59:18 -149.015989 0.002509 LBFGSLineSearch: 11 17:59:18 -149.015990 0.002742 LBFGSLineSearch: 12 17:59:19 -149.015993 0.001542 LBFGSLineSearch: 13 17:59:20 -149.015994 0.001227 LBFGSLineSearch: 14 17:59:20 -149.015994 0.002415 LBFGSLineSearch: 15 17:59:21 -149.015997 0.000405 LBFGSLineSearch: 16 17:59:22 -149.015997 0.000411 LBFGSLineSearch: 17 17:59:22 -149.015997 0.000357 LBFGSLineSearch: 18 17:59:23 -149.015997 0.000323 LBFGSLineSearch: 19 17:59:24 -149.015997 0.000321 LBFGSLineSearch: 20 17:59:25 -149.015997 0.000139 LBFGSLineSearch: 21 17:59:26 -149.015997 0.000136 LBFGSLineSearch: 22 17:59:26 -149.015997 0.000035 LBFGSLineSearch: 23 17:59:27 -149.015997 0.000010 LBFGSLineSearch: 24 17:59:27 -149.015997 0.000006 Minimization converged after 24 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:59:33 -149.776747 0.054344 LBFGSLineSearch: 1 17:59:34 -149.778398 0.017060 LBFGSLineSearch: 2 17:59:35 -149.778555 0.020003 LBFGSLineSearch: 3 17:59:35 -149.778660 0.014510 LBFGSLineSearch: 4 17:59:36 -149.778795 0.016551 LBFGSLineSearch: 5 17:59:36 -149.778856 0.011747 LBFGSLineSearch: 6 17:59:37 -149.778898 0.005441 LBFGSLineSearch: 7 17:59:38 -149.778906 0.006031 LBFGSLineSearch: 8 17:59:39 -149.778917 0.005613 LBFGSLineSearch: 9 17:59:40 -149.778930 0.003782 LBFGSLineSearch: 10 17:59:40 -149.778937 0.002929 LBFGSLineSearch: 11 17:59:41 -149.778938 0.003221 LBFGSLineSearch: 12 17:59:41 -149.778942 0.001977 LBFGSLineSearch: 13 17:59:41 -149.778943 0.001497 LBFGSLineSearch: 14 17:59:42 -149.778944 0.002540 LBFGSLineSearch: 15 17:59:43 -149.778947 0.000937 LBFGSLineSearch: 16 17:59:43 -149.778948 0.000504 LBFGSLineSearch: 17 17:59:44 -149.778948 0.000481 LBFGSLineSearch: 18 17:59:44 -149.778948 0.000476 LBFGSLineSearch: 19 17:59:45 -149.778948 0.000382 LBFGSLineSearch: 20 17:59:45 -149.778948 0.000343 LBFGSLineSearch: 21 17:59:46 -149.778948 0.000453 LBFGSLineSearch: 22 17:59:47 -149.778948 0.000141 LBFGSLineSearch: 23 17:59:47 -149.778948 0.000098 LBFGSLineSearch: 24 17:59:48 -149.778948 0.000015 LBFGSLineSearch: 25 17:59:48 -149.778948 0.000006 Minimization converged after 25 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:59:54 -150.544140 0.054661 LBFGSLineSearch: 1 17:59:55 -150.545837 0.017371 LBFGSLineSearch: 2 17:59:55 -150.546021 0.020995 LBFGSLineSearch: 3 17:59:56 -150.546139 0.015210 LBFGSLineSearch: 4 17:59:56 -150.546289 0.017335 LBFGSLineSearch: 5 17:59:56 -150.546357 0.012826 LBFGSLineSearch: 6 17:59:57 -150.546406 0.005847 LBFGSLineSearch: 7 17:59:57 -150.546416 0.006550 LBFGSLineSearch: 8 17:59:58 -150.546429 0.006208 LBFGSLineSearch: 9 17:59:58 -150.546446 0.004453 LBFGSLineSearch: 10 17:59:59 -150.546455 0.003454 LBFGSLineSearch: 11 17:59:59 -150.546457 0.003814 LBFGSLineSearch: 12 17:59:59 -150.546464 0.001964 LBFGSLineSearch: 13 18:00:00 -150.546466 0.002724 LBFGSLineSearch: 14 18:00:01 -150.546471 0.000591 LBFGSLineSearch: 15 18:00:01 -150.546471 0.000538 LBFGSLineSearch: 16 18:00:01 -150.546471 0.000490 LBFGSLineSearch: 17 18:00:01 -150.546471 0.000447 LBFGSLineSearch: 18 18:00:01 -150.546471 0.000238 LBFGSLineSearch: 19 18:00:01 -150.546471 0.000179 LBFGSLineSearch: 20 18:00:02 -150.546471 0.000220 LBFGSLineSearch: 21 18:00:02 -150.546471 0.000006 Minimization converged after 21 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:07 -151.316375 0.054994 LBFGSLineSearch: 1 18:00:08 -151.318121 0.018661 LBFGSLineSearch: 2 18:00:08 -151.318338 0.022139 LBFGSLineSearch: 3 18:00:08 -151.318474 0.016468 LBFGSLineSearch: 4 18:00:09 -151.318650 0.014885 LBFGSLineSearch: 5 18:00:09 -151.318728 0.007253 LBFGSLineSearch: 6 18:00:09 -151.318767 0.007513 LBFGSLineSearch: 7 18:00:10 -151.318782 0.008244 LBFGSLineSearch: 8 18:00:10 -151.318824 0.005164 LBFGSLineSearch: 9 18:00:10 -151.318828 0.006125 LBFGSLineSearch: 10 18:00:10 -151.318840 0.005008 LBFGSLineSearch: 11 18:00:10 -151.318844 0.004405 LBFGSLineSearch: 12 18:00:10 -151.318848 0.003942 LBFGSLineSearch: 13 18:00:11 -151.318858 0.002892 LBFGSLineSearch: 14 18:00:11 -151.318869 0.001273 LBFGSLineSearch: 15 18:00:11 -151.318871 0.001385 LBFGSLineSearch: 16 18:00:11 -151.318872 0.000947 LBFGSLineSearch: 17 18:00:13 -151.318872 0.000612 LBFGSLineSearch: 18 18:00:13 -151.318872 0.000620 LBFGSLineSearch: 19 18:00:14 -151.318873 0.000367 LBFGSLineSearch: 20 18:00:14 -151.318873 0.000310 LBFGSLineSearch: 21 18:00:15 -151.318873 0.000196 LBFGSLineSearch: 22 18:00:15 -151.318873 0.000072 LBFGSLineSearch: 23 18:00:15 -151.318873 0.000086 LBFGSLineSearch: 24 18:00:16 -151.318873 0.000045 LBFGSLineSearch: 25 18:00:16 -151.318873 0.000028 LBFGSLineSearch: 26 18:00:17 -151.318873 0.000022 LBFGSLineSearch: 27 18:00:18 -151.318873 0.000003 Minimization converged after 27 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:24 -152.093884 0.055361 LBFGSLineSearch: 1 18:00:25 -152.095683 0.020048 LBFGSLineSearch: 2 18:00:25 -152.095939 0.023222 LBFGSLineSearch: 3 18:00:26 -152.096111 0.019904 LBFGSLineSearch: 4 18:00:26 -152.096331 0.013096 LBFGSLineSearch: 5 18:00:27 -152.096461 0.009115 LBFGSLineSearch: 6 18:00:27 -152.096487 0.011366 LBFGSLineSearch: 7 18:00:28 -152.096525 0.009707 LBFGSLineSearch: 8 18:00:28 -152.096536 0.008122 LBFGSLineSearch: 9 18:00:28 -152.096567 0.006340 LBFGSLineSearch: 10 18:00:28 -152.096577 0.006376 LBFGSLineSearch: 11 18:00:29 -152.096590 0.007215 LBFGSLineSearch: 12 18:00:29 -152.096625 0.004085 LBFGSLineSearch: 13 18:00:29 -152.096641 0.002433 LBFGSLineSearch: 14 18:00:30 -152.096642 0.002197 LBFGSLineSearch: 15 18:00:30 -152.096643 0.001224 LBFGSLineSearch: 16 18:00:31 -152.096645 0.000935 LBFGSLineSearch: 17 18:00:32 -152.096645 0.000595 LBFGSLineSearch: 18 18:00:33 -152.096645 0.000537 LBFGSLineSearch: 19 18:00:34 -152.096646 0.000710 LBFGSLineSearch: 20 18:00:34 -152.096646 0.000286 LBFGSLineSearch: 21 18:00:34 -152.096646 0.000373 LBFGSLineSearch: 22 18:00:34 -152.096646 0.000119 LBFGSLineSearch: 23 18:00:34 -152.096646 0.000059 LBFGSLineSearch: 24 18:00:35 -152.096646 0.000044 LBFGSLineSearch: 25 18:00:35 -152.096646 0.000031 LBFGSLineSearch: 26 18:00:35 -152.096646 0.000030 LBFGSLineSearch: 27 18:00:35 -152.096646 0.000024 LBFGSLineSearch: 28 18:00:36 -152.096646 0.000021 LBFGSLineSearch: 29 18:00:36 -152.096646 0.000018 LBFGSLineSearch: 30 18:00:37 -152.096646 0.000000 Minimization converged after 30 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:42 -152.877169 0.055752 LBFGSLineSearch: 1 18:00:43 -152.878996 0.021173 LBFGSLineSearch: 2 18:00:43 -152.879239 0.018601 LBFGSLineSearch: 3 18:00:43 -152.879398 0.022692 LBFGSLineSearch: 4 18:00:44 -152.879573 0.012218 LBFGSLineSearch: 5 18:00:44 -152.879651 0.011992 LBFGSLineSearch: 6 18:00:44 -152.879696 0.009934 LBFGSLineSearch: 7 18:00:44 -152.879715 0.009907 LBFGSLineSearch: 8 18:00:45 -152.879775 0.009226 LBFGSLineSearch: 9 18:00:45 -152.879792 0.008550 LBFGSLineSearch: 10 18:00:46 -152.879810 0.008876 LBFGSLineSearch: 11 18:00:46 -152.879856 0.006239 LBFGSLineSearch: 12 18:00:47 -152.879909 0.007204 LBFGSLineSearch: 13 18:00:47 -152.879925 0.004404 LBFGSLineSearch: 14 18:00:47 -152.879931 0.003717 LBFGSLineSearch: 15 18:00:48 -152.879937 0.004151 LBFGSLineSearch: 16 18:00:49 -152.879950 0.002703 LBFGSLineSearch: 17 18:00:50 -152.879954 0.001705 LBFGSLineSearch: 18 18:00:50 -152.879955 0.001731 LBFGSLineSearch: 19 18:00:50 -152.879955 0.001701 LBFGSLineSearch: 20 18:00:51 -152.879956 0.001591 LBFGSLineSearch: 21 18:00:51 -152.879958 0.000770 LBFGSLineSearch: 22 18:00:51 -152.879958 0.000655 LBFGSLineSearch: 23 18:00:52 -152.879958 0.000587 LBFGSLineSearch: 24 18:00:52 -152.879958 0.000191 LBFGSLineSearch: 25 18:00:52 -152.879958 0.000180 LBFGSLineSearch: 26 18:00:52 -152.879958 0.000128 LBFGSLineSearch: 27 18:00:52 -152.879958 0.000038 LBFGSLineSearch: 28 18:00:52 -152.879958 0.000037 LBFGSLineSearch: 29 18:00:52 -152.879958 0.000027 LBFGSLineSearch: 30 18:00:53 -152.879958 0.000028 LBFGSLineSearch: 31 18:00:53 -152.879958 0.000009 Minimization converged after 31 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:58 -153.666155 0.056159 LBFGSLineSearch: 1 18:01:00 -153.667998 0.022293 LBFGSLineSearch: 2 18:01:00 -153.668228 0.018318 LBFGSLineSearch: 3 18:01:01 -153.668404 0.024888 LBFGSLineSearch: 4 18:01:01 -153.668614 0.016395 LBFGSLineSearch: 5 18:01:02 -153.668653 0.014699 LBFGSLineSearch: 6 18:01:03 -153.668763 0.011927 LBFGSLineSearch: 7 18:01:03 -153.668799 0.010011 LBFGSLineSearch: 8 18:01:04 -153.668837 0.010477 LBFGSLineSearch: 9 18:01:04 -153.668921 0.012411 LBFGSLineSearch: 10 18:01:05 -153.669095 0.017136 LBFGSLineSearch: 11 18:01:05 -154.101750 2.523986 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 11 steps. Final forces: [[ 1.82938571e+00 9.31527464e-01 -9.57554513e-01] [-1.82938571e+00 9.31527464e-01 9.57554513e-01] [-1.82938571e+00 -9.31527464e-01 9.57554513e-01] [ 1.82938571e+00 -9.31527464e-01 -9.57554513e-01] [ 4.49706727e-17 -2.03250337e-01 2.75113260e-19] [ 6.12045484e-17 2.03250337e-01 1.17240270e-19] [-1.43211147e-01 1.61052773e-02 1.35793764e-01] [ 1.43211147e-01 1.61052773e-02 -1.35793764e-01] [ 1.43211147e-01 -1.61052773e-02 -1.35793764e-01] [-1.43211147e-01 -1.61052773e-02 1.35793764e-01] [ 9.24894055e-01 8.15854821e-01 2.22993650e+00] [-9.24894055e-01 8.15854821e-01 -2.22993650e+00] [-9.24894055e-01 -8.15854821e-01 -2.22993650e+00] [ 9.24894055e-01 -8.15854821e-01 2.22993650e+00]] Final stress: [ 1.42658322e-01 2.29942639e-01 2.43919319e-01 1.54280270e-16 9.15107851e-03 -4.70993440e-17] Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:01:11 -154.913214 2.548267 LBFGSLineSearch: 1 18:01:12 -155.630640 0.734514 LBFGSLineSearch: 2 18:01:12 -155.776786 0.378153 LBFGSLineSearch: 3 18:01:13 -155.803540 0.503862 LBFGSLineSearch: 4 18:01:13 -155.841077 0.294974 LBFGSLineSearch: 5 18:01:14 -155.863196 0.355080 LBFGSLineSearch: 6 18:01:14 -155.888690 0.387128 LBFGSLineSearch: 7 18:01:15 -155.900087 0.369265 LBFGSLineSearch: 8 18:01:15 -155.976703 0.303100 LBFGSLineSearch: 9 18:01:17 -156.689636 1.123020 LBFGSLineSearch: 10 18:01:17 -156.690221 1.138992 LBFGSLineSearch: 11 18:01:19 -157.100057 0.764743 LBFGSLineSearch: 12 18:01:19 -157.195544 0.815146 LBFGSLineSearch: 13 18:01:20 -157.334298 0.645136 LBFGSLineSearch: 14 18:01:20 -157.369828 0.453071 LBFGSLineSearch: 15 18:01:21 -157.397699 0.478492 LBFGSLineSearch: 16 18:01:22 -157.420934 0.451887 LBFGSLineSearch: 17 18:01:23 -157.464232 0.610431 LBFGSLineSearch: 18 18:01:25 -157.580568 0.454636 LBFGSLineSearch: 19 18:01:26 -157.636198 0.587163 LBFGSLineSearch: 20 18:01:26 -157.671988 0.604021 LBFGSLineSearch: 21 18:01:26 -157.699213 0.596325 LBFGSLineSearch: 22 18:01:27 -157.765897 0.422337 LBFGSLineSearch: 23 18:01:27 -157.817639 0.390310 LBFGSLineSearch: 24 18:01:27 -157.879371 0.565863 LBFGSLineSearch: 25 18:01:27 -158.066628 1.299280 LBFGSLineSearch: 26 18:01:28 -158.909239 2.839995 LBFGSLineSearch: 27 18:01:28 -158.923494 3.840947 LBFGSLineSearch: 28 18:01:28 -159.422936 3.301316 LBFGSLineSearch: 29 18:01:29 -159.610368 4.616200 LBFGSLineSearch: 30 18:01:30 -160.149888 4.032581 LBFGSLineSearch: 31 18:01:31 -160.628598 1.732120 LBFGSLineSearch: 32 18:01:32 -161.450843 2.809384 LBFGSLineSearch: 33 18:01:32 -161.537856 3.938841 LBFGSLineSearch: 34 18:01:33 -162.331447 3.083544 LBFGSLineSearch: 35 18:01:33 -163.251821 1.363179 LBFGSLineSearch: 36 18:01:33 -163.553311 1.514084 LBFGSLineSearch: 37 18:01:34 -164.606256 2.942312 LBFGSLineSearch: 38 18:01:34 -165.927781 3.420687 LBFGSLineSearch: 39 18:01:34 -174.406683 11.361199 Failed to get energy or crystal structure at pressure -32.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')