Model name? MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "property-id": "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "instance-id": 1, "prototype-label": { "source-value": "A2B5_mC28_15_f_e2f" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 11.389419332618425, "source-unit": "angstrom", "si-unit": "m", "si-value": 1.138941933261843e-09 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "y1", "x2", "y2", "z2", "x3", "y3", "z3", "x4", "y4", "z4" ] }, "parameter-values": { "source-value": [ 0.42353550717904814, 0.42812705608549323, 80.36843556593132, 0.44882707675371214, 0.6203604580266917, 0.8106750704160925, 0.910564910948042, 0.09460520869147948, 0.045600321954753276, 0.6095333126537392, 0.7153871713959943, 0.12139703638877383, 0.7146086369302351 ] }, "cell-cauchy-stress": { "source-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ], "source-unit": "eV/angstrom^3", "si-unit": "kg / m s^2", "si-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ] }, "temperature": { "source-value": 0.0, "source-unit": "K", "si-unit": "K", "si-value": 0.0 }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_908245700773_000", "RD_196807244970_000" ] ] }, "coordinates-file": { "source-value": "instance-1.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-1.poscar" }, "meta": { "uuid": "TE_712723756130_003-and-MO_110119204723_002-1750699546-tr", "path": "tr/TE_712723756130_003-and-MO_110119204723_002-1750699546-tr", "type": "tr", "_id": "TE_712723756130_003-and-MO_110119204723_002-1750699546-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "short-id": "TE_712723756130_003", "kimid-prefix": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "kimid-typecode": "te", "kimid-number": "712723756130", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "type": "te", "kimnum": "712723756130", "version": 3, "shortcode": "TE_712723756130", "kimcode": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "path": "te/EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "approved": true, "_id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "makeable": true, "runner": true, "driver": { "extended-id": "EquilibriumCrystalStructure__TD_457028483760_003", "short-id": "TD_457028483760_003", "kimid-prefix": "EquilibriumCrystalStructure", "kimid-typecode": "td", "kimid-number": "457028483760", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure", "type": "td", "kimnum": "457028483760", "version": 3, "shortcode": "TD_457028483760", "kimcode": "EquilibriumCrystalStructure__TD_457028483760_003", "path": "td/EquilibriumCrystalStructure__TD_457028483760_003", "approved": true, "_id": "EquilibriumCrystalStructure__TD_457028483760_003", "makeable": true, "driver": true, "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype 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_2009_FeTiC__MO_110119204723_002", "short-id": "MO_110119204723_002", "kimid-prefix": "MEAM_LAMMPS_KimJungLee_2009_FeTiC", "kimid-typecode": "mo", "kimid-number": "110119204723", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_KimJungLee_2009_FeTiC", "type": "mo", "kimnum": "110119204723", "version": 2, "shortcode": "MO_110119204723", "kimcode": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "path": "mo/MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "approved": true, "_id": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "makeable": true, "subject": true, "driver": { "extended-id": "MEAM_LAMMPS__MD_249792265679_002", "short-id": "MD_249792265679_002", "kimid-prefix": "MEAM_LAMMPS", "kimid-typecode": "md", "kimid-number": "249792265679", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS", "type": "md", "kimnum": "249792265679", "version": 2, "shortcode": "MD_249792265679", "kimcode": "MEAM_LAMMPS__MD_249792265679_002", "path": "md/MEAM_LAMMPS__MD_249792265679_002", "approved": true, "_id": "MEAM_LAMMPS__MD_249792265679_002", "makeable": true, "driver": true, "content-origin": "The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.)", "developer": [ "553f9aa4-98a2-477b-852f-a65cd9e1ace3", "05936d64-2312-402a-9873-5b6799e9f6db", "6ee0e203-4072-42b5-97a0-cf937edf5de8", "d5c826b2-1048-431c-bab6-0347f1c80c45", "98b95738-bd12-4464-9ed8-862e8be644e9", "f15f5ddf-8896-4f23-a4de-d96898caab64", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e", "57339548-c8c4-4b8b-a24b-6cecf2787096", "8ae4480b-2d4b-4f8c-b68d-6f8e2101d5a2", "d08eaec4-2289-4e6a-9fc7-c28d98c4156f", "cce68d90-29c8-48fa-a6fd-f806fa6d0f76", "a00983fc-9660-4769-82b0-5b90133a74be" ], "doi": "10.25950/ee5eba52", "domain": "openkim.org", "executables": [], "implementer": [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "a8c5e51f-f163-4842-b527-9ac69c3d33e2", "0f9bf091-9a1c-49e0-b107-a3bcc7d1dfa4", "27a42ac6-f00e-42a8-a1d3-54851ab2d08d", "d95e1403-9d6f-4dd4-ba80-1ccbf94dc75b", "44969c60-361d-4f11-87b8-6a5e35597d34", "741dc3be-59fb-4e5b-8653-c63be9d4ee5d", "e632a391-ea42-4bf6-8737-e71c296a067a" ], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "publication-year": "2023", "simulator-potential-compatibility": [ { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/spline" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/sw/spline" } ], "source-citations": [ { "author": "Baskes, M.I. and Nelson, J.S. and Wright, A.F.", "doi": "10.1103/PhysRevB.40.6085", "journal": "Phys. Rev. B", "pages": "6085--6100", "recordkey": "MD_249792265679_002a", "recordtype": "article", "title": "Semiempirical modified embedded-atom potentials for silicon and germanium", "volume": "40", "year": "1989" }, { "author": "Baskes, M.I.", "doi": "10.1103/PhysRevB.46.2727", "journal": "Phys. Rev. B", "pages": "2727--2742", "recordkey": "MD_249792265679_002b", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom potentials for cubic materials and impurities", "volume": "46", "year": "1992" }, { "author": "Lee, B.J. and Baskes, M.I.", "doi": "10.1103/PhysRevB.62.8564", "journal": "Phys. Rev. B", "pages": "8564--8567", "recordkey": "MD_249792265679_002c", "recordtype": "article", "title": "Second nearest-neighbor modified embedded-atom-method potential", "volume": "62", "year": "2000" }, { "author": "Lenosky, T.J. and Sadigh, B. and Alonso, E. and Bulatov, V.V. and de la Rubia, T.D. and Kim, J. and Voter, A.F. and Kress, J.D.", "doi": "10.1088/0965-0393/8/6/305", "journal": "Model. Simul. Mat. Sci. Eng", "pages": "825--841", "recordkey": "MD_249792265679_002d", "recordtype": "article", "title": "Highly optimized empirical potential model of silicon", "volume": "8", "year": "2000" } ], "title": "The modified embedded atom method (MEAM) potential v002", "created_on": "2024-10-01 20:38:58.516366" }, "content-origin": "http://cmse.postech.ac.kr/home_2nnmeam", "content-other-locations": "https://openkim.org/id/Sim_LAMMPS_MEAM_KimJungLee\n_2009_FeTiC__SM_531038274471_000 [openkim.org]", "contributor-id": "2bad9293-d404-4c54-b5d2-5318911b976b", "description": "Modified embedded-atom method (MEAM) interatomic potentials for the Fe\u2013Ti\u2013C ternary system has been developed based on the previously developed MEAM potentials for sub-unary and binary systems. The calculated coherent interface properties, interfacial energy, work of separation and misfit strain energy between body-centered cubic Fe and NaCl-type TiC is reasonable when compared with relevant first-principles calculations under the same condition.", "developer": [ "5a167265-87e3-44e4-870e-759fac0c70d7", "59cc80e4-a52a-48c1-90e0-292f4f6782fe", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/deddb298", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "2bad9293-d404-4c54-b5d2-5318911b976b", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Kim, Hyun-Kyu and Jung, Woo-Sang and Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2009.03.019", "journal": "Acta Materialia", "number": "11", "pages": "3140--3147", "publisher": "Elsevier", "recordkey": "MO_110119204723_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom method interatomic potentials for the {F}e--{T}i--{C} and {F}e--{T}i--{N} ternary systems", "volume": "57", "year": "2009" } ], "species": [ "Fe", "Ti", "C" ], "title": "MEAM Potential for the Fe-Ti-C system developed by Kim, Jung, Lee (2009) v002", "created_on": "2023-05-09 18:55:51.772141" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_110119204723_002-1750699546-tr", "created_on": "2025-06-23 18:33:38.443063", "dependencies": [] }, "created_on": "2025-06-23 18:33:38.443063", "inserted_on": "2025-06-23 18:36:01.076985", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0004111712022235245 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 16:45:31 -72.226915 0.029484 LBFGSLineSearch: 1 16:45:36 -72.227239 0.011511 LBFGSLineSearch: 2 16:45:40 -72.227273 0.009009 LBFGSLineSearch: 3 16:45:44 -72.227301 0.009107 LBFGSLineSearch: 4 16:45:48 -72.227318 0.005623 LBFGSLineSearch: 5 16:45:50 -72.227327 0.002419 LBFGSLineSearch: 6 16:45:53 -72.227328 0.002455 LBFGSLineSearch: 7 16:45:57 -72.227329 0.002100 LBFGSLineSearch: 8 16:46:00 -72.227331 0.002285 LBFGSLineSearch: 9 16:46:03 -72.227332 0.001990 LBFGSLineSearch: 10 16:46:06 -72.227333 0.000944 LBFGSLineSearch: 11 16:46:08 -72.227334 0.000534 LBFGSLineSearch: 12 16:46:11 -72.227334 0.000388 LBFGSLineSearch: 13 16:46:14 -72.227334 0.000353 LBFGSLineSearch: 14 16:46:17 -72.227334 0.000184 LBFGSLineSearch: 15 16:46:20 -72.227334 0.000161 LBFGSLineSearch: 16 16:46:23 -72.227334 0.000120 LBFGSLineSearch: 17 16:46:26 -72.227334 0.000107 LBFGSLineSearch: 18 16:46:31 -72.227334 0.000124 LBFGSLineSearch: 19 16:46:34 -72.227334 0.000085 LBFGSLineSearch: 20 16:46:37 -72.227334 0.000067 LBFGSLineSearch: 21 16:46:40 -72.227334 0.000073 LBFGSLineSearch: 22 16:46:42 -72.227334 0.000044 LBFGSLineSearch: 23 16:46:45 -72.227334 0.000029 LBFGSLineSearch: 24 16:46:49 -72.227334 0.000011 LBFGSLineSearch: 25 16:46:51 -72.227334 0.000002 Minimization converged after 25 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:02 -72.176966 0.003599 LBFGSLineSearch: 1 16:47:07 -72.176971 0.001305 LBFGSLineSearch: 2 16:47:11 -72.176972 0.000928 LBFGSLineSearch: 3 16:47:16 -72.176972 0.001208 LBFGSLineSearch: 4 16:47:21 -72.176972 0.000532 LBFGSLineSearch: 5 16:47:26 -72.176972 0.000298 LBFGSLineSearch: 6 16:47:30 -72.176972 0.000293 LBFGSLineSearch: 7 16:47:31 -72.176972 0.000194 LBFGSLineSearch: 8 16:47:33 -72.176972 0.000225 LBFGSLineSearch: 9 16:47:37 -72.176972 0.000133 LBFGSLineSearch: 10 16:47:42 -72.176972 0.000063 LBFGSLineSearch: 11 16:47:46 -72.176972 0.000026 LBFGSLineSearch: 12 16:47:48 -72.176972 0.000023 LBFGSLineSearch: 13 16:47:51 -72.176972 0.000015 LBFGSLineSearch: 14 16:47:55 -72.176972 0.000011 LBFGSLineSearch: 15 16:47:58 -72.176972 0.000011 LBFGSLineSearch: 16 16:47:59 -72.176972 0.000008 Minimization converged after 16 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:48:10 -72.120451 0.004040 LBFGSLineSearch: 1 16:48:14 -72.120457 0.001468 LBFGSLineSearch: 2 16:48:17 -72.120457 0.001053 LBFGSLineSearch: 3 16:48:19 -72.120458 0.001362 LBFGSLineSearch: 4 16:48:22 -72.120458 0.000594 LBFGSLineSearch: 5 16:48:26 -72.120458 0.000336 LBFGSLineSearch: 6 16:48:30 -72.120458 0.000335 LBFGSLineSearch: 7 16:48:32 -72.120458 0.000308 LBFGSLineSearch: 8 16:48:36 -72.120458 0.000354 LBFGSLineSearch: 9 16:48:39 -72.120458 0.000203 LBFGSLineSearch: 10 16:48:42 -72.120458 0.000149 LBFGSLineSearch: 11 16:48:45 -72.120458 0.000058 LBFGSLineSearch: 12 16:48:48 -72.120458 0.000058 LBFGSLineSearch: 13 16:48:51 -72.120458 0.000028 LBFGSLineSearch: 14 16:48:55 -72.120458 0.000021 LBFGSLineSearch: 15 16:48:58 -72.120458 0.000015 LBFGSLineSearch: 16 16:49:02 -72.120458 0.000012 LBFGSLineSearch: 17 16:49:06 -72.120458 0.000010 LBFGSLineSearch: 18 16:49:10 -72.120458 0.000009 Minimization converged after 18 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:22 -72.057032 0.004531 LBFGSLineSearch: 1 16:49:25 -72.057040 0.001641 LBFGSLineSearch: 2 16:49:27 -72.057041 0.001169 LBFGSLineSearch: 3 16:49:30 -72.057041 0.001522 LBFGSLineSearch: 4 16:49:32 -72.057042 0.000666 LBFGSLineSearch: 5 16:49:34 -72.057042 0.000377 LBFGSLineSearch: 6 16:49:38 -72.057042 0.000381 LBFGSLineSearch: 7 16:49:42 -72.057042 0.000342 LBFGSLineSearch: 8 16:49:45 -72.057042 0.000226 LBFGSLineSearch: 9 16:49:48 -72.057042 0.000240 LBFGSLineSearch: 10 16:49:50 -72.057042 0.000136 LBFGSLineSearch: 11 16:49:52 -72.057042 0.000166 LBFGSLineSearch: 12 16:49:55 -72.057042 0.000082 LBFGSLineSearch: 13 16:49:58 -72.057042 0.000054 LBFGSLineSearch: 14 16:50:03 -72.057042 0.000026 LBFGSLineSearch: 15 16:50:08 -72.057042 0.000022 LBFGSLineSearch: 16 16:50:12 -72.057042 0.000015 LBFGSLineSearch: 17 16:50:15 -72.057042 0.000013 LBFGSLineSearch: 18 16:50:16 -72.057042 0.000010 LBFGSLineSearch: 19 16:50:18 -72.057042 0.000010 Minimization converged after 19 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:50:27 -71.985871 0.005083 LBFGSLineSearch: 1 16:50:30 -71.985881 0.001835 LBFGSLineSearch: 2 16:50:32 -71.985882 0.001296 LBFGSLineSearch: 3 16:50:33 -71.985883 0.001697 LBFGSLineSearch: 4 16:50:35 -71.985883 0.000752 LBFGSLineSearch: 5 16:50:39 -71.985883 0.000423 LBFGSLineSearch: 6 16:50:42 -71.985883 0.000426 LBFGSLineSearch: 7 16:50:44 -71.985883 0.000416 LBFGSLineSearch: 8 16:50:46 -71.985884 0.000429 LBFGSLineSearch: 9 16:50:48 -71.985884 0.000229 LBFGSLineSearch: 10 16:50:49 -71.985884 0.000255 LBFGSLineSearch: 11 16:50:49 -71.985884 0.000142 LBFGSLineSearch: 12 16:50:51 -71.985884 0.000163 LBFGSLineSearch: 13 16:50:54 -71.985884 0.000124 LBFGSLineSearch: 14 16:50:56 -71.985884 0.000075 LBFGSLineSearch: 15 16:50:59 -71.985884 0.000056 LBFGSLineSearch: 16 16:51:03 -71.985884 0.000028 LBFGSLineSearch: 17 16:51:07 -71.985884 0.000023 LBFGSLineSearch: 18 16:51:10 -71.985884 0.000015 LBFGSLineSearch: 19 16:51:14 -71.985884 0.000014 LBFGSLineSearch: 20 16:51:17 -71.985884 0.000010 LBFGSLineSearch: 21 16:51:20 -71.985884 0.000004 Minimization converged after 21 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:31 -71.906025 0.005706 LBFGSLineSearch: 1 16:51:35 -71.906037 0.002062 LBFGSLineSearch: 2 16:51:39 -71.906038 0.001469 LBFGSLineSearch: 3 16:51:42 -71.906039 0.001915 LBFGSLineSearch: 4 16:51:46 -71.906040 0.000846 LBFGSLineSearch: 5 16:51:50 -71.906040 0.000476 LBFGSLineSearch: 6 16:51:53 -71.906040 0.000480 LBFGSLineSearch: 7 16:51:57 -71.906040 0.000469 LBFGSLineSearch: 8 16:52:02 -71.906040 0.000487 LBFGSLineSearch: 9 16:52:06 -71.906040 0.000256 LBFGSLineSearch: 10 16:52:09 -71.906040 0.000268 LBFGSLineSearch: 11 16:52:13 -71.906040 0.000258 LBFGSLineSearch: 12 16:52:16 -71.906040 0.000149 LBFGSLineSearch: 13 16:52:19 -71.906040 0.000165 LBFGSLineSearch: 14 16:52:19 -71.906040 0.000082 LBFGSLineSearch: 15 16:52:21 -71.906040 0.000075 LBFGSLineSearch: 16 16:52:25 -71.906040 0.000040 LBFGSLineSearch: 17 16:52:30 -71.906040 0.000026 LBFGSLineSearch: 18 16:52:35 -71.906040 0.000017 LBFGSLineSearch: 19 16:52:37 -71.906040 0.000016 LBFGSLineSearch: 20 16:52:39 -71.906040 0.000013 LBFGSLineSearch: 21 16:52:41 -71.906040 0.000009 Minimization converged after 21 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:51 -71.816437 0.006401 LBFGSLineSearch: 1 16:52:56 -71.816452 0.002313 LBFGSLineSearch: 2 16:52:59 -71.816454 0.001655 LBFGSLineSearch: 3 16:53:02 -71.816455 0.002152 LBFGSLineSearch: 4 16:53:06 -71.816456 0.000951 LBFGSLineSearch: 5 16:53:09 -71.816456 0.000537 LBFGSLineSearch: 6 16:53:12 -71.816456 0.000542 LBFGSLineSearch: 7 16:53:15 -71.816456 0.000530 LBFGSLineSearch: 8 16:53:19 -71.816456 0.000553 LBFGSLineSearch: 9 16:53:22 -71.816456 0.000306 LBFGSLineSearch: 10 16:53:25 -71.816456 0.000303 LBFGSLineSearch: 11 16:53:28 -71.816456 0.000295 LBFGSLineSearch: 12 16:53:30 -71.816456 0.000161 LBFGSLineSearch: 13 16:53:32 -71.816456 0.000183 LBFGSLineSearch: 14 16:53:35 -71.816456 0.000125 LBFGSLineSearch: 15 16:53:39 -71.816456 0.000077 LBFGSLineSearch: 16 16:53:44 -71.816456 0.000073 LBFGSLineSearch: 17 16:53:48 -71.816456 0.000033 LBFGSLineSearch: 18 16:53:53 -71.816456 0.000028 LBFGSLineSearch: 19 16:53:58 -71.816456 0.000019 LBFGSLineSearch: 20 16:54:02 -71.816456 0.000018 LBFGSLineSearch: 21 16:54:04 -71.816456 0.000012 LBFGSLineSearch: 22 16:54:05 -71.816456 0.000007 Minimization converged after 22 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:13 -71.715924 0.007182 LBFGSLineSearch: 1 16:54:17 -71.715943 0.002598 LBFGSLineSearch: 2 16:54:22 -71.715945 0.001863 LBFGSLineSearch: 3 16:54:26 -71.715946 0.002423 LBFGSLineSearch: 4 16:54:30 -71.715948 0.001074 LBFGSLineSearch: 5 16:54:33 -71.715948 0.000606 LBFGSLineSearch: 6 16:54:36 -71.715948 0.000612 LBFGSLineSearch: 7 16:54:39 -71.715948 0.000599 LBFGSLineSearch: 8 16:54:42 -71.715948 0.000623 LBFGSLineSearch: 9 16:54:46 -71.715949 0.000340 LBFGSLineSearch: 10 16:54:49 -71.715949 0.000338 LBFGSLineSearch: 11 16:54:54 -71.715949 0.000328 LBFGSLineSearch: 12 16:54:59 -71.715949 0.000236 LBFGSLineSearch: 13 16:55:04 -71.715949 0.000093 LBFGSLineSearch: 14 16:55:08 -71.715949 0.000047 LBFGSLineSearch: 15 16:55:11 -71.715949 0.000041 LBFGSLineSearch: 16 16:55:13 -71.715949 0.000024 LBFGSLineSearch: 17 16:55:14 -71.715949 0.000023 LBFGSLineSearch: 18 16:55:15 -71.715949 0.000022 LBFGSLineSearch: 19 16:55:18 -71.715949 0.000015 LBFGSLineSearch: 20 16:55:19 -71.715949 0.000004 Minimization converged after 20 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:30 -71.603160 0.008058 LBFGSLineSearch: 1 16:55:34 -71.603184 0.002906 LBFGSLineSearch: 2 16:55:38 -71.603187 0.002088 LBFGSLineSearch: 3 16:55:41 -71.603189 0.002715 LBFGSLineSearch: 4 16:55:42 -71.603190 0.001208 LBFGSLineSearch: 5 16:55:44 -71.603191 0.000683 LBFGSLineSearch: 6 16:55:46 -71.603191 0.000692 LBFGSLineSearch: 7 16:55:49 -71.603191 0.000679 LBFGSLineSearch: 8 16:55:52 -71.603191 0.000715 LBFGSLineSearch: 9 16:55:55 -71.603191 0.000387 LBFGSLineSearch: 10 16:55:59 -71.603191 0.000385 LBFGSLineSearch: 11 16:56:03 -71.603191 0.000368 LBFGSLineSearch: 12 16:56:08 -71.603191 0.000269 LBFGSLineSearch: 13 16:56:12 -71.603191 0.000107 LBFGSLineSearch: 14 16:56:12 -71.603191 0.000049 LBFGSLineSearch: 15 16:56:12 -71.603191 0.000038 LBFGSLineSearch: 16 16:56:13 -71.603191 0.000028 LBFGSLineSearch: 17 16:56:13 -71.603191 0.000026 LBFGSLineSearch: 18 16:56:15 -71.603191 0.000018 LBFGSLineSearch: 19 16:56:17 -71.603191 0.000016 LBFGSLineSearch: 20 16:56:19 -71.603191 0.000004 Minimization converged after 20 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:31 -71.476660 0.009040 LBFGSLineSearch: 1 16:56:34 -71.476691 0.003256 LBFGSLineSearch: 2 16:56:38 -71.476694 0.002342 LBFGSLineSearch: 3 16:56:43 -71.476696 0.003049 LBFGSLineSearch: 4 16:56:47 -71.476698 0.001359 LBFGSLineSearch: 5 16:56:48 -71.476699 0.000772 LBFGSLineSearch: 6 16:56:49 -71.476699 0.000782 LBFGSLineSearch: 7 16:56:53 -71.476699 0.000769 LBFGSLineSearch: 8 16:56:58 -71.476699 0.000816 LBFGSLineSearch: 9 16:57:03 -71.476699 0.000435 LBFGSLineSearch: 10 16:57:06 -71.476699 0.000435 LBFGSLineSearch: 11 16:57:10 -71.476699 0.000411 LBFGSLineSearch: 12 16:57:14 -71.476699 0.000304 LBFGSLineSearch: 13 16:57:17 -71.476699 0.000123 LBFGSLineSearch: 14 16:57:21 -71.476699 0.000059 LBFGSLineSearch: 15 16:57:26 -71.476699 0.000054 LBFGSLineSearch: 16 16:57:31 -71.476699 0.000031 LBFGSLineSearch: 17 16:57:34 -71.476699 0.000030 LBFGSLineSearch: 18 16:57:36 -71.476699 0.000018 LBFGSLineSearch: 19 16:57:39 -71.476699 0.000019 LBFGSLineSearch: 20 16:57:42 -71.476699 0.000005 Minimization converged after 20 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:52 -71.334761 0.010141 LBFGSLineSearch: 1 16:57:56 -71.334799 0.003648 LBFGSLineSearch: 2 16:58:00 -71.334803 0.002629 LBFGSLineSearch: 3 16:58:05 -71.334806 0.003423 LBFGSLineSearch: 4 16:58:09 -71.334808 0.001531 LBFGSLineSearch: 5 16:58:13 -71.334809 0.000872 LBFGSLineSearch: 6 16:58:15 -71.334809 0.000885 LBFGSLineSearch: 7 16:58:18 -71.334809 0.000873 LBFGSLineSearch: 8 16:58:22 -71.334809 0.000932 LBFGSLineSearch: 9 16:58:25 -71.334810 0.000489 LBFGSLineSearch: 10 16:58:28 -71.334810 0.000491 LBFGSLineSearch: 11 16:58:31 -71.334810 0.000459 LBFGSLineSearch: 12 16:58:36 -71.334810 0.000344 LBFGSLineSearch: 13 16:58:38 -71.334810 0.000142 LBFGSLineSearch: 14 16:58:39 -71.334810 0.000071 LBFGSLineSearch: 15 16:58:40 -71.334810 0.000059 LBFGSLineSearch: 16 16:58:43 -71.334810 0.000051 LBFGSLineSearch: 17 16:58:48 -71.334810 0.000038 LBFGSLineSearch: 18 16:58:53 -71.334810 0.000034 LBFGSLineSearch: 19 16:58:56 -71.334810 0.000018 LBFGSLineSearch: 20 16:58:58 -71.334810 0.000019 LBFGSLineSearch: 21 16:59:00 -71.334810 0.000006 Minimization converged after 21 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:10 -71.175600 0.011375 LBFGSLineSearch: 1 16:59:14 -71.175647 0.004085 LBFGSLineSearch: 2 16:59:17 -71.175652 0.002950 LBFGSLineSearch: 3 16:59:20 -71.175656 0.003844 LBFGSLineSearch: 4 16:59:23 -71.175659 0.001723 LBFGSLineSearch: 5 16:59:27 -71.175660 0.000986 LBFGSLineSearch: 6 16:59:31 -71.175660 0.001004 LBFGSLineSearch: 7 16:59:34 -71.175660 0.000992 LBFGSLineSearch: 8 16:59:38 -71.175661 0.001065 LBFGSLineSearch: 9 16:59:42 -71.175661 0.000551 LBFGSLineSearch: 10 16:59:46 -71.175661 0.000556 LBFGSLineSearch: 11 16:59:50 -71.175661 0.000511 LBFGSLineSearch: 12 16:59:54 -71.175661 0.000390 LBFGSLineSearch: 13 16:59:58 -71.175661 0.000164 LBFGSLineSearch: 14 17:00:02 -71.175661 0.000085 LBFGSLineSearch: 15 17:00:06 -71.175661 0.000082 LBFGSLineSearch: 16 17:00:10 -71.175661 0.000067 LBFGSLineSearch: 17 17:00:14 -71.175661 0.000042 LBFGSLineSearch: 18 17:00:17 -71.175661 0.000038 LBFGSLineSearch: 19 17:00:20 -71.175661 0.000040 LBFGSLineSearch: 20 17:00:22 -71.175661 0.000015 LBFGSLineSearch: 21 17:00:25 -71.175661 0.000019 LBFGSLineSearch: 22 17:00:27 -71.175661 0.000007 Minimization converged after 22 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:38 -70.997092 0.012759 LBFGSLineSearch: 1 17:00:43 -70.997152 0.004573 LBFGSLineSearch: 2 17:00:47 -70.997158 0.003311 LBFGSLineSearch: 3 17:00:49 -70.997162 0.004318 LBFGSLineSearch: 4 17:00:52 -70.997166 0.001942 LBFGSLineSearch: 5 17:00:56 -70.997168 0.001116 LBFGSLineSearch: 6 17:00:59 -70.997168 0.001139 LBFGSLineSearch: 7 17:01:00 -70.997168 0.001129 LBFGSLineSearch: 8 17:01:04 -70.997169 0.001220 LBFGSLineSearch: 9 17:01:06 -70.997169 0.000621 LBFGSLineSearch: 10 17:01:08 -70.997169 0.000629 LBFGSLineSearch: 11 17:01:12 -70.997169 0.000568 LBFGSLineSearch: 12 17:01:15 -70.997170 0.000443 LBFGSLineSearch: 13 17:01:19 -70.997170 0.000190 LBFGSLineSearch: 14 17:01:22 -70.997170 0.000083 LBFGSLineSearch: 15 17:01:23 -70.997170 0.000091 LBFGSLineSearch: 16 17:01:28 -70.997170 0.000059 LBFGSLineSearch: 17 17:01:32 -70.997170 0.000048 LBFGSLineSearch: 18 17:01:36 -70.997170 0.000047 LBFGSLineSearch: 19 17:01:40 -70.997170 0.000045 LBFGSLineSearch: 20 17:01:42 -70.997170 0.000019 LBFGSLineSearch: 21 17:01:45 -70.997170 0.000023 LBFGSLineSearch: 22 17:01:49 -70.997170 0.000017 LBFGSLineSearch: 23 17:01:53 -70.997170 0.000008 Minimization converged after 23 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:02 -70.796906 0.014309 LBFGSLineSearch: 1 17:02:04 -70.796981 0.005117 LBFGSLineSearch: 2 17:02:08 -70.796989 0.003716 LBFGSLineSearch: 3 17:02:10 -70.796995 0.004850 LBFGSLineSearch: 4 17:02:11 -70.797000 0.002189 LBFGSLineSearch: 5 17:02:13 -70.797001 0.001265 LBFGSLineSearch: 6 17:02:14 -70.797002 0.001294 LBFGSLineSearch: 7 17:02:16 -70.797002 0.001288 LBFGSLineSearch: 8 17:02:19 -70.797002 0.001400 LBFGSLineSearch: 9 17:02:23 -70.797003 0.000701 LBFGSLineSearch: 10 17:02:26 -70.797003 0.000711 LBFGSLineSearch: 11 17:02:31 -70.797003 0.000630 LBFGSLineSearch: 12 17:02:35 -70.797004 0.000503 LBFGSLineSearch: 13 17:02:39 -70.797004 0.000205 LBFGSLineSearch: 14 17:02:43 -70.797004 0.000220 LBFGSLineSearch: 15 17:02:46 -70.797004 0.000101 LBFGSLineSearch: 16 17:02:49 -70.797004 0.000089 LBFGSLineSearch: 17 17:02:52 -70.797004 0.000064 LBFGSLineSearch: 18 17:02:55 -70.797004 0.000053 LBFGSLineSearch: 19 17:02:58 -70.797004 0.000054 LBFGSLineSearch: 20 17:03:01 -70.797004 0.000028 LBFGSLineSearch: 21 17:03:03 -70.797004 0.000009 Minimization converged after 21 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:12 -70.572434 0.016046 LBFGSLineSearch: 1 17:03:13 -70.572528 0.005724 LBFGSLineSearch: 2 17:03:15 -70.572538 0.004169 LBFGSLineSearch: 3 17:03:18 -70.572545 0.005447 LBFGSLineSearch: 4 17:03:22 -70.572551 0.002469 LBFGSLineSearch: 5 17:03:26 -70.572553 0.001435 LBFGSLineSearch: 6 17:03:29 -70.572554 0.001473 LBFGSLineSearch: 7 17:03:33 -70.572554 0.001472 LBFGSLineSearch: 8 17:03:37 -70.572555 0.001608 LBFGSLineSearch: 9 17:03:42 -70.572555 0.000792 LBFGSLineSearch: 10 17:03:46 -70.572556 0.000805 LBFGSLineSearch: 11 17:03:51 -70.572556 0.000695 LBFGSLineSearch: 12 17:03:56 -70.572556 0.000573 LBFGSLineSearch: 13 17:03:59 -70.572556 0.000234 LBFGSLineSearch: 14 17:04:02 -70.572556 0.000226 LBFGSLineSearch: 15 17:04:06 -70.572556 0.000236 LBFGSLineSearch: 16 17:04:09 -70.572556 0.000105 LBFGSLineSearch: 17 17:04:10 -70.572556 0.000119 LBFGSLineSearch: 18 17:04:10 -70.572556 0.000087 LBFGSLineSearch: 19 17:04:12 -70.572556 0.000079 LBFGSLineSearch: 20 17:04:13 -70.572556 0.000064 LBFGSLineSearch: 21 17:04:14 -70.572556 0.000058 LBFGSLineSearch: 22 17:04:14 -70.572556 0.000054 LBFGSLineSearch: 23 17:04:15 -70.572556 0.000021 LBFGSLineSearch: 24 17:04:15 -70.572556 0.000010 LBFGSLineSearch: 25 17:04:16 -70.572556 0.000008 Minimization converged after 25 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:24 -70.320759 0.017991 LBFGSLineSearch: 1 17:04:25 -70.320877 0.006400 LBFGSLineSearch: 2 17:04:27 -70.320889 0.004670 LBFGSLineSearch: 3 17:04:29 -70.320898 0.006113 LBFGSLineSearch: 4 17:04:33 -70.320906 0.002793 LBFGSLineSearch: 5 17:04:38 -70.320909 0.001633 LBFGSLineSearch: 6 17:04:41 -70.320909 0.001681 LBFGSLineSearch: 7 17:04:43 -70.320910 0.001687 LBFGSLineSearch: 8 17:04:43 -70.320911 0.001845 LBFGSLineSearch: 9 17:04:44 -70.320912 0.000899 LBFGSLineSearch: 10 17:04:45 -70.320912 0.000909 LBFGSLineSearch: 11 17:04:48 -70.320912 0.000763 LBFGSLineSearch: 12 17:04:53 -70.320913 0.000653 LBFGSLineSearch: 13 17:04:57 -70.320913 0.000276 LBFGSLineSearch: 14 17:05:00 -70.320913 0.000267 LBFGSLineSearch: 15 17:05:04 -70.320913 0.000276 LBFGSLineSearch: 16 17:05:08 -70.320913 0.000126 LBFGSLineSearch: 17 17:05:11 -70.320913 0.000119 LBFGSLineSearch: 18 17:05:14 -70.320913 0.000091 LBFGSLineSearch: 19 17:05:17 -70.320913 0.000074 LBFGSLineSearch: 20 17:05:21 -70.320913 0.000082 LBFGSLineSearch: 21 17:05:24 -70.320913 0.000071 LBFGSLineSearch: 22 17:05:28 -70.320913 0.000058 LBFGSLineSearch: 23 17:05:31 -70.320913 0.000024 LBFGSLineSearch: 24 17:05:35 -70.320913 0.000012 LBFGSLineSearch: 25 17:05:39 -70.320913 0.000012 LBFGSLineSearch: 26 17:05:42 -70.320913 0.000001 Minimization converged after 26 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:52 -70.038624 0.020164 LBFGSLineSearch: 1 17:05:54 -70.038772 0.007154 LBFGSLineSearch: 2 17:05:55 -70.038787 0.005249 LBFGSLineSearch: 3 17:05:59 -70.038798 0.006877 LBFGSLineSearch: 4 17:06:03 -70.038808 0.003144 LBFGSLineSearch: 5 17:06:05 -70.038812 0.001857 LBFGSLineSearch: 6 17:06:08 -70.038812 0.001919 LBFGSLineSearch: 7 17:06:13 -70.038813 0.001938 LBFGSLineSearch: 8 17:06:17 -70.038814 0.002127 LBFGSLineSearch: 9 17:06:22 -70.038815 0.001018 LBFGSLineSearch: 10 17:06:25 -70.038816 0.001027 LBFGSLineSearch: 11 17:06:30 -70.038816 0.000834 LBFGSLineSearch: 12 17:06:34 -70.038816 0.000747 LBFGSLineSearch: 13 17:06:38 -70.038817 0.000329 LBFGSLineSearch: 14 17:06:42 -70.038817 0.000319 LBFGSLineSearch: 15 17:06:45 -70.038817 0.000326 LBFGSLineSearch: 16 17:06:46 -70.038817 0.000143 LBFGSLineSearch: 17 17:06:47 -70.038817 0.000095 LBFGSLineSearch: 18 17:06:48 -70.038817 0.000088 LBFGSLineSearch: 19 17:06:49 -70.038817 0.000088 LBFGSLineSearch: 20 17:06:51 -70.038817 0.000043 LBFGSLineSearch: 21 17:06:53 -70.038817 0.000015 LBFGSLineSearch: 22 17:06:54 -70.038817 0.000012 LBFGSLineSearch: 23 17:06:55 -70.038817 0.000000 Minimization converged after 23 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:03 -69.722390 0.022602 LBFGSLineSearch: 1 17:07:05 -69.722575 0.007992 LBFGSLineSearch: 2 17:07:08 -69.722593 0.005889 LBFGSLineSearch: 3 17:07:10 -69.722607 0.007730 LBFGSLineSearch: 4 17:07:14 -69.722619 0.003554 LBFGSLineSearch: 5 17:07:18 -69.722624 0.002119 LBFGSLineSearch: 6 17:07:21 -69.722625 0.002199 LBFGSLineSearch: 7 17:07:24 -69.722626 0.002237 LBFGSLineSearch: 8 17:07:28 -69.722628 0.002421 LBFGSLineSearch: 9 17:07:31 -69.722630 0.001165 LBFGSLineSearch: 10 17:07:34 -69.722630 0.001163 LBFGSLineSearch: 11 17:07:38 -69.722630 0.000974 LBFGSLineSearch: 12 17:07:41 -69.722631 0.000858 LBFGSLineSearch: 13 17:07:45 -69.722631 0.000398 LBFGSLineSearch: 14 17:07:47 -69.722631 0.000385 LBFGSLineSearch: 15 17:07:50 -69.722631 0.000383 LBFGSLineSearch: 16 17:07:54 -69.722631 0.000171 LBFGSLineSearch: 17 17:07:55 -69.722631 0.000115 LBFGSLineSearch: 18 17:07:56 -69.722631 0.000107 LBFGSLineSearch: 19 17:07:57 -69.722631 0.000091 LBFGSLineSearch: 20 17:08:00 -69.722631 0.000049 LBFGSLineSearch: 21 17:08:04 -69.722631 0.000017 LBFGSLineSearch: 22 17:08:08 -69.722631 0.000015 LBFGSLineSearch: 23 17:08:11 -69.722631 0.000000 Minimization converged after 23 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:18 -69.367995 0.025331 LBFGSLineSearch: 1 17:08:20 -69.368226 0.008921 LBFGSLineSearch: 2 17:08:20 -69.368249 0.006606 LBFGSLineSearch: 3 17:08:21 -69.368266 0.008692 LBFGSLineSearch: 4 17:08:22 -69.368282 0.004019 LBFGSLineSearch: 5 17:08:23 -69.368288 0.002423 LBFGSLineSearch: 6 17:08:24 -69.368289 0.002527 LBFGSLineSearch: 7 17:08:26 -69.368290 0.002591 LBFGSLineSearch: 8 17:08:28 -69.368293 0.002700 LBFGSLineSearch: 9 17:08:30 -69.368296 0.001587 LBFGSLineSearch: 10 17:08:31 -69.368296 0.001342 LBFGSLineSearch: 11 17:08:34 -69.368297 0.001179 LBFGSLineSearch: 12 17:08:34 -69.368297 0.001004 LBFGSLineSearch: 13 17:08:35 -69.368298 0.000484 LBFGSLineSearch: 14 17:08:37 -69.368298 0.000470 LBFGSLineSearch: 15 17:08:38 -69.368298 0.000446 LBFGSLineSearch: 16 17:08:38 -69.368298 0.000205 LBFGSLineSearch: 17 17:08:39 -69.368298 0.000139 LBFGSLineSearch: 18 17:08:41 -69.368298 0.000130 LBFGSLineSearch: 19 17:08:45 -69.368298 0.000112 LBFGSLineSearch: 20 17:08:48 -69.368298 0.000140 LBFGSLineSearch: 21 17:08:51 -69.368298 0.000055 LBFGSLineSearch: 22 17:08:53 -69.368298 0.000038 LBFGSLineSearch: 23 17:08:56 -69.368298 0.000020 LBFGSLineSearch: 24 17:08:58 -69.368298 0.000003 Minimization converged after 24 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:05 -68.970911 0.028386 LBFGSLineSearch: 1 17:09:07 -68.971199 0.009947 LBFGSLineSearch: 2 17:09:07 -68.971228 0.007401 LBFGSLineSearch: 3 17:09:08 -68.971249 0.009764 LBFGSLineSearch: 4 17:09:08 -68.971269 0.004555 LBFGSLineSearch: 5 17:09:10 -68.971277 0.002776 LBFGSLineSearch: 6 17:09:10 -68.971278 0.002912 LBFGSLineSearch: 7 17:09:11 -68.971279 0.003017 LBFGSLineSearch: 8 17:09:11 -68.971283 0.002984 LBFGSLineSearch: 9 17:09:14 -68.971287 0.002147 LBFGSLineSearch: 10 17:09:17 -68.971288 0.001584 LBFGSLineSearch: 11 17:09:21 -68.971288 0.001356 LBFGSLineSearch: 12 17:09:24 -68.971289 0.001197 LBFGSLineSearch: 13 17:09:27 -68.971290 0.000584 LBFGSLineSearch: 14 17:09:28 -68.971290 0.000579 LBFGSLineSearch: 15 17:09:29 -68.971290 0.000523 LBFGSLineSearch: 16 17:09:30 -68.971290 0.000249 LBFGSLineSearch: 17 17:09:31 -68.971290 0.000171 LBFGSLineSearch: 18 17:09:34 -68.971290 0.000159 LBFGSLineSearch: 19 17:09:38 -68.971290 0.000146 LBFGSLineSearch: 20 17:09:41 -68.971290 0.000211 LBFGSLineSearch: 21 17:09:44 -68.971290 0.000060 LBFGSLineSearch: 22 17:09:48 -68.971290 0.000026 LBFGSLineSearch: 23 17:09:51 -68.971290 0.000024 LBFGSLineSearch: 24 17:09:54 -68.971290 0.000004 Minimization converged after 24 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:02 -68.526088 0.031801 LBFGSLineSearch: 1 17:10:04 -68.526448 0.011095 LBFGSLineSearch: 2 17:10:06 -68.526483 0.008306 LBFGSLineSearch: 3 17:10:07 -68.526510 0.010996 LBFGSLineSearch: 4 17:10:11 -68.526535 0.005162 LBFGSLineSearch: 5 17:10:14 -68.526546 0.003193 LBFGSLineSearch: 6 17:10:17 -68.526547 0.003370 LBFGSLineSearch: 7 17:10:19 -68.526549 0.003533 LBFGSLineSearch: 8 17:10:21 -68.526555 0.003285 LBFGSLineSearch: 9 17:10:22 -68.526559 0.002925 LBFGSLineSearch: 10 17:10:23 -68.526560 0.001913 LBFGSLineSearch: 11 17:10:25 -68.526561 0.001417 LBFGSLineSearch: 12 17:10:26 -68.526562 0.001719 LBFGSLineSearch: 13 17:10:29 -68.526563 0.001441 LBFGSLineSearch: 14 17:10:33 -68.526563 0.000739 LBFGSLineSearch: 15 17:10:35 -68.526563 0.000325 LBFGSLineSearch: 16 17:10:37 -68.526563 0.000304 LBFGSLineSearch: 17 17:10:41 -68.526563 0.000299 LBFGSLineSearch: 18 17:10:44 -68.526564 0.000205 LBFGSLineSearch: 19 17:10:48 -68.526564 0.000178 LBFGSLineSearch: 20 17:10:52 -68.526564 0.000071 LBFGSLineSearch: 21 17:10:55 -68.526564 0.000067 LBFGSLineSearch: 22 17:10:58 -68.526564 0.000030 LBFGSLineSearch: 23 17:11:00 -68.526564 0.000028 LBFGSLineSearch: 24 17:11:03 -68.526564 0.000005 Minimization converged after 24 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:10 -68.027908 0.035621 LBFGSLineSearch: 1 17:11:11 -68.028355 0.012349 LBFGSLineSearch: 2 17:11:12 -68.028400 0.009306 LBFGSLineSearch: 3 17:11:12 -68.028433 0.012375 LBFGSLineSearch: 4 17:11:14 -68.028464 0.005850 LBFGSLineSearch: 5 17:11:15 -68.028478 0.003683 LBFGSLineSearch: 6 17:11:15 -68.028480 0.003917 LBFGSLineSearch: 7 17:11:18 -68.028483 0.004167 LBFGSLineSearch: 8 17:11:22 -68.028491 0.003523 LBFGSLineSearch: 9 17:11:26 -68.028496 0.003496 LBFGSLineSearch: 10 17:11:30 -68.028499 0.001817 LBFGSLineSearch: 11 17:11:34 -68.028501 0.001540 LBFGSLineSearch: 12 17:11:38 -68.028502 0.002015 LBFGSLineSearch: 13 17:11:40 -68.028503 0.001038 LBFGSLineSearch: 14 17:11:40 -68.028503 0.000436 LBFGSLineSearch: 15 17:11:41 -68.028503 0.000383 LBFGSLineSearch: 16 17:11:42 -68.028503 0.000380 LBFGSLineSearch: 17 17:11:42 -68.028504 0.000262 LBFGSLineSearch: 18 17:11:44 -68.028504 0.000237 LBFGSLineSearch: 19 17:11:47 -68.028504 0.000098 LBFGSLineSearch: 20 17:11:50 -68.028504 0.000093 LBFGSLineSearch: 21 17:11:52 -68.028504 0.000039 LBFGSLineSearch: 22 17:11:53 -68.028504 0.000034 LBFGSLineSearch: 23 17:11:54 -68.028504 0.000031 LBFGSLineSearch: 24 17:11:54 -68.028504 0.000008 Minimization converged after 24 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:02 -67.470118 0.039890 LBFGSLineSearch: 1 17:12:03 -67.470675 0.013734 LBFGSLineSearch: 2 17:12:05 -67.470730 0.010423 LBFGSLineSearch: 3 17:12:08 -67.470771 0.013930 LBFGSLineSearch: 4 17:12:12 -67.470810 0.006646 LBFGSLineSearch: 5 17:12:14 -67.470829 0.004265 LBFGSLineSearch: 6 17:12:15 -67.470832 0.004576 LBFGSLineSearch: 7 17:12:17 -67.470836 0.004954 LBFGSLineSearch: 8 17:12:20 -67.470848 0.003852 LBFGSLineSearch: 9 17:12:23 -67.470854 0.004154 LBFGSLineSearch: 10 17:12:26 -67.470859 0.002299 LBFGSLineSearch: 11 17:12:30 -67.470862 0.001955 LBFGSLineSearch: 12 17:12:32 -67.470863 0.001875 LBFGSLineSearch: 13 17:12:36 -67.470864 0.002326 LBFGSLineSearch: 14 17:12:39 -67.470865 0.001120 LBFGSLineSearch: 15 17:12:43 -67.470865 0.000468 LBFGSLineSearch: 16 17:12:46 -67.470865 0.000486 LBFGSLineSearch: 17 17:12:49 -67.470866 0.000334 LBFGSLineSearch: 18 17:12:53 -67.470866 0.000241 LBFGSLineSearch: 19 17:12:56 -67.470866 0.000379 LBFGSLineSearch: 20 17:12:59 -67.470866 0.000109 LBFGSLineSearch: 21 17:13:02 -67.470866 0.000040 LBFGSLineSearch: 22 17:13:05 -67.470866 0.000040 LBFGSLineSearch: 23 17:13:08 -67.470866 0.000039 LBFGSLineSearch: 24 17:13:11 -67.470866 0.000016 LBFGSLineSearch: 25 17:13:15 -67.470866 0.000001 Minimization converged after 25 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:22 -66.845777 0.044649 LBFGSLineSearch: 1 17:13:24 -66.846469 0.015249 LBFGSLineSearch: 2 17:13:26 -66.846536 0.011662 LBFGSLineSearch: 3 17:13:30 -66.846588 0.015679 LBFGSLineSearch: 4 17:13:34 -66.846636 0.007546 LBFGSLineSearch: 5 17:13:37 -66.846661 0.004959 LBFGSLineSearch: 6 17:13:40 -66.846665 0.005376 LBFGSLineSearch: 7 17:13:42 -66.846671 0.005947 LBFGSLineSearch: 8 17:13:45 -66.846690 0.004676 LBFGSLineSearch: 9 17:13:49 -66.846698 0.004989 LBFGSLineSearch: 10 17:13:50 -66.846706 0.002985 LBFGSLineSearch: 11 17:13:51 -66.846711 0.003096 LBFGSLineSearch: 12 17:13:54 -66.846715 0.001780 LBFGSLineSearch: 13 17:13:55 -66.846715 0.001785 LBFGSLineSearch: 14 17:13:56 -66.846716 0.000634 LBFGSLineSearch: 15 17:13:58 -66.846716 0.000578 LBFGSLineSearch: 16 17:14:01 -66.846716 0.000469 LBFGSLineSearch: 17 17:14:03 -66.846716 0.000381 LBFGSLineSearch: 18 17:14:07 -66.846716 0.000326 LBFGSLineSearch: 19 17:14:10 -66.846716 0.000286 LBFGSLineSearch: 20 17:14:13 -66.846716 0.000087 LBFGSLineSearch: 21 17:14:17 -66.846716 0.000046 LBFGSLineSearch: 22 17:14:20 -66.846716 0.000043 LBFGSLineSearch: 23 17:14:23 -66.846716 0.000028 LBFGSLineSearch: 24 17:14:25 -66.846716 0.000006 Minimization converged after 24 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:34 -66.147187 0.049971 LBFGSLineSearch: 1 17:14:37 -66.148046 0.016897 LBFGSLineSearch: 2 17:14:41 -66.148128 0.013020 LBFGSLineSearch: 3 17:14:46 -66.148192 0.017626 LBFGSLineSearch: 4 17:14:50 -66.148253 0.008577 LBFGSLineSearch: 5 17:14:54 -66.148285 0.005790 LBFGSLineSearch: 6 17:14:58 -66.148291 0.006356 LBFGSLineSearch: 7 17:15:03 -66.148300 0.007218 LBFGSLineSearch: 8 17:15:08 -66.148330 0.005828 LBFGSLineSearch: 9 17:15:12 -66.148341 0.006142 LBFGSLineSearch: 10 17:15:15 -66.148355 0.003990 LBFGSLineSearch: 11 17:15:19 -66.148365 0.003956 LBFGSLineSearch: 12 17:15:23 -66.148368 0.002432 LBFGSLineSearch: 13 17:15:26 -66.148369 0.001917 LBFGSLineSearch: 14 17:15:29 -66.148370 0.001439 LBFGSLineSearch: 15 17:15:32 -66.148370 0.000946 LBFGSLineSearch: 16 17:15:36 -66.148370 0.000796 LBFGSLineSearch: 17 17:15:38 -66.148370 0.000815 LBFGSLineSearch: 18 17:15:41 -66.148371 0.000600 LBFGSLineSearch: 19 17:15:44 -66.148371 0.000483 LBFGSLineSearch: 20 17:15:49 -66.148371 0.000536 LBFGSLineSearch: 21 17:15:52 -66.148371 0.000288 LBFGSLineSearch: 22 17:15:55 -66.148371 0.000345 LBFGSLineSearch: 23 17:15:59 -66.148371 0.000274 LBFGSLineSearch: 24 17:16:02 -66.148371 0.000086 LBFGSLineSearch: 25 17:16:04 -66.148371 0.000054 LBFGSLineSearch: 26 17:16:08 -66.148371 0.000052 LBFGSLineSearch: 27 17:16:11 -66.148371 0.000048 LBFGSLineSearch: 28 17:16:14 -66.148371 0.000000 Minimization converged after 28 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:22 -65.365836 0.055895 LBFGSLineSearch: 1 17:16:26 -65.366900 0.018693 LBFGSLineSearch: 2 17:16:30 -65.367000 0.014542 LBFGSLineSearch: 3 17:16:33 -65.367080 0.019805 LBFGSLineSearch: 4 17:16:36 -65.367154 0.009742 LBFGSLineSearch: 5 17:16:39 -65.367198 0.006793 LBFGSLineSearch: 6 17:16:40 -65.367207 0.007573 LBFGSLineSearch: 7 17:16:40 -65.367221 0.008887 LBFGSLineSearch: 8 17:16:41 -65.367270 0.007426 LBFGSLineSearch: 9 17:16:42 -65.367287 0.008278 LBFGSLineSearch: 10 17:16:43 -65.367309 0.005528 LBFGSLineSearch: 11 17:16:45 -65.367328 0.005158 LBFGSLineSearch: 12 17:16:46 -65.367332 0.003754 LBFGSLineSearch: 13 17:16:47 -65.367337 0.001624 LBFGSLineSearch: 14 17:16:48 -65.367338 0.001263 LBFGSLineSearch: 15 17:16:50 -65.367338 0.000942 LBFGSLineSearch: 16 17:16:53 -65.367338 0.000813 LBFGSLineSearch: 17 17:16:56 -65.367338 0.000777 LBFGSLineSearch: 18 17:16:58 -65.367339 0.000994 LBFGSLineSearch: 19 17:17:00 -65.367339 0.000773 LBFGSLineSearch: 20 17:17:03 -65.367339 0.000653 LBFGSLineSearch: 21 17:17:05 -65.367339 0.000379 LBFGSLineSearch: 22 17:17:06 -65.367339 0.000141 LBFGSLineSearch: 23 17:17:08 -65.367339 0.000085 LBFGSLineSearch: 24 17:17:10 -65.367339 0.000057 LBFGSLineSearch: 25 17:17:11 -65.367339 0.000050 LBFGSLineSearch: 26 17:17:14 -65.367339 0.000012 LBFGSLineSearch: 27 17:17:17 -65.367339 0.000000 Minimization converged after 27 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:24 -64.492356 0.062499 LBFGSLineSearch: 1 17:17:27 -64.493672 0.020604 LBFGSLineSearch: 2 17:17:30 -64.493793 0.016174 LBFGSLineSearch: 3 17:17:32 -64.493889 0.022187 LBFGSLineSearch: 4 17:17:35 -64.493980 0.011106 LBFGSLineSearch: 5 17:17:37 -64.494040 0.008025 LBFGSLineSearch: 6 17:17:40 -64.494054 0.009133 LBFGSLineSearch: 7 17:17:44 -64.494077 0.011201 LBFGSLineSearch: 8 17:17:47 -64.494161 0.009697 LBFGSLineSearch: 9 17:17:49 -64.494186 0.010215 LBFGSLineSearch: 10 17:17:53 -64.494217 0.008570 LBFGSLineSearch: 11 17:17:55 -64.494240 0.008239 LBFGSLineSearch: 12 17:17:57 -64.494272 0.008172 LBFGSLineSearch: 13 17:17:58 -64.494286 0.005328 LBFGSLineSearch: 14 17:17:59 -64.494294 0.003400 LBFGSLineSearch: 15 17:18:00 -64.494297 0.001755 LBFGSLineSearch: 16 17:18:00 -64.494297 0.001851 LBFGSLineSearch: 17 17:18:00 -64.494298 0.001880 LBFGSLineSearch: 18 17:18:01 -64.494298 0.001734 LBFGSLineSearch: 19 17:18:02 -64.494299 0.001090 LBFGSLineSearch: 20 17:18:04 -64.494300 0.001153 LBFGSLineSearch: 21 17:18:07 -64.494301 0.000947 LBFGSLineSearch: 22 17:18:10 -64.494301 0.001019 LBFGSLineSearch: 23 17:18:14 -64.494301 0.000182 LBFGSLineSearch: 24 17:18:17 -64.494301 0.000140 LBFGSLineSearch: 25 17:18:19 -64.494301 0.000093 LBFGSLineSearch: 26 17:18:22 -64.494301 0.000050 LBFGSLineSearch: 27 17:18:23 -64.494301 0.000051 LBFGSLineSearch: 28 17:18:23 -64.494301 0.000049 LBFGSLineSearch: 29 17:18:24 -64.494301 0.000000 Minimization converged after 29 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:31 -63.516578 0.069837 LBFGSLineSearch: 1 17:18:34 -63.518200 0.022586 LBFGSLineSearch: 2 17:18:35 -63.518345 0.017879 LBFGSLineSearch: 3 17:18:36 -63.518461 0.024918 LBFGSLineSearch: 4 17:18:38 -63.518573 0.012904 LBFGSLineSearch: 5 17:18:41 -63.518659 0.009671 LBFGSLineSearch: 6 17:18:43 -63.518683 0.011378 LBFGSLineSearch: 7 17:18:47 -63.518724 0.015405 LBFGSLineSearch: 8 17:18:50 -63.518890 0.014073 LBFGSLineSearch: 9 17:18:53 -63.518964 0.015549 LBFGSLineSearch: 10 17:18:56 -63.519051 0.016551 LBFGSLineSearch: 11 17:19:00 -63.519130 0.016617 LBFGSLineSearch: 12 17:19:03 -63.519197 0.014925 LBFGSLineSearch: 13 17:19:05 -63.519288 0.022361 LBFGSLineSearch: 14 17:19:06 -63.519463 0.014824 LBFGSLineSearch: 15 17:19:08 -63.525502 0.146517 LBFGSLineSearch: 16 17:19:10 -63.525516 0.150572 LBFGSLineSearch: 17 17:19:13 -63.531311 0.165565 LBFGSLineSearch: 18 17:19:14 -63.536459 0.110592 LBFGSLineSearch: 19 17:19:16 -63.542747 0.146900 LBFGSLineSearch: 20 17:19:19 -63.545516 0.118517 LBFGSLineSearch: 21 17:19:20 -63.549452 0.065273 LBFGSLineSearch: 22 17:19:21 -63.550745 0.054176 LBFGSLineSearch: 23 17:19:22 -63.551208 0.047321 LBFGSLineSearch: 24 17:19:23 -63.551559 0.043414 LBFGSLineSearch: 25 17:19:24 -63.551788 0.034576 LBFGSLineSearch: 26 17:19:26 -63.552794 0.056258 LBFGSLineSearch: 27 17:19:27 -63.553230 0.050732 LBFGSLineSearch: 28 17:19:28 -63.553803 0.030550 LBFGSLineSearch: 29 17:19:29 -63.553988 0.009455 LBFGSLineSearch: 30 17:19:30 -63.554016 0.005710 LBFGSLineSearch: 31 17:19:32 -63.554020 0.002462 LBFGSLineSearch: 32 17:19:33 -63.554022 0.002174 LBFGSLineSearch: 33 17:19:35 -63.554022 0.001916 LBFGSLineSearch: 34 17:19:35 -63.554026 0.000310 LBFGSLineSearch: 35 17:19:36 -63.554026 0.000017 LBFGSLineSearch: 36 17:19:36 -63.554026 0.000000 Minimization converged after 36 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:42 -62.475240 0.077056 LBFGSLineSearch: 1 17:19:42 -62.477191 0.019315 LBFGSLineSearch: 2 17:19:43 -62.477286 0.013949 LBFGSLineSearch: 3 17:19:43 -62.477316 0.007808 LBFGSLineSearch: 4 17:19:44 -62.477330 0.005872 LBFGSLineSearch: 5 17:19:46 -62.477340 0.003865 LBFGSLineSearch: 6 17:19:47 -62.477344 0.003685 LBFGSLineSearch: 7 17:19:48 -62.477351 0.003792 LBFGSLineSearch: 8 17:19:49 -62.477364 0.005944 LBFGSLineSearch: 9 17:19:51 -62.477367 0.004511 LBFGSLineSearch: 10 17:19:52 -62.477369 0.003036 LBFGSLineSearch: 11 17:19:53 -62.477370 0.001596 LBFGSLineSearch: 12 17:19:54 -62.477371 0.001786 LBFGSLineSearch: 13 17:19:54 -62.477371 0.001831 LBFGSLineSearch: 14 17:19:55 -62.477372 0.001721 LBFGSLineSearch: 15 17:19:57 -62.477372 0.001233 LBFGSLineSearch: 16 17:19:58 -62.477373 0.001710 LBFGSLineSearch: 17 17:20:00 -62.477374 0.000968 LBFGSLineSearch: 18 17:20:00 -62.477375 0.000834 LBFGSLineSearch: 19 17:20:01 -62.477375 0.000672 LBFGSLineSearch: 20 17:20:03 -62.477375 0.000652 LBFGSLineSearch: 21 17:20:05 -62.477375 0.000596 LBFGSLineSearch: 22 17:20:07 -62.477375 0.000496 LBFGSLineSearch: 23 17:20:07 -62.477375 0.000449 LBFGSLineSearch: 24 17:20:08 -62.477375 0.000362 LBFGSLineSearch: 25 17:20:11 -62.477375 0.000319 LBFGSLineSearch: 26 17:20:14 -62.477375 0.000198 LBFGSLineSearch: 27 17:20:16 -62.477375 0.000147 LBFGSLineSearch: 28 17:20:18 -62.477375 0.000142 LBFGSLineSearch: 29 17:20:21 -62.477375 0.000011 LBFGSLineSearch: 30 17:20:23 -62.477375 0.000000 Minimization converged after 30 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:31 -61.271249 0.086152 LBFGSLineSearch: 1 17:20:33 -61.273652 0.021285 LBFGSLineSearch: 2 17:20:33 -61.273765 0.015584 LBFGSLineSearch: 3 17:20:35 -61.273801 0.007173 LBFGSLineSearch: 4 17:20:38 -61.273816 0.005742 LBFGSLineSearch: 5 17:20:39 -61.273826 0.003893 LBFGSLineSearch: 6 17:20:41 -61.273830 0.003803 LBFGSLineSearch: 7 17:20:42 -61.273837 0.003804 LBFGSLineSearch: 8 17:20:43 -61.273850 0.006113 LBFGSLineSearch: 9 17:20:44 -61.273853 0.004608 LBFGSLineSearch: 10 17:20:44 -61.273855 0.003062 LBFGSLineSearch: 11 17:20:44 -61.273856 0.001435 LBFGSLineSearch: 12 17:20:44 -61.273857 0.001623 LBFGSLineSearch: 13 17:20:45 -61.273857 0.001745 LBFGSLineSearch: 14 17:20:45 -61.273857 0.001769 LBFGSLineSearch: 15 17:20:46 -61.273858 0.001211 LBFGSLineSearch: 16 17:20:47 -61.273858 0.001591 LBFGSLineSearch: 17 17:20:48 -61.273859 0.000971 LBFGSLineSearch: 18 17:20:48 -61.273860 0.000804 LBFGSLineSearch: 19 17:20:49 -61.273860 0.000657 LBFGSLineSearch: 20 17:20:50 -61.273860 0.000638 LBFGSLineSearch: 21 17:20:50 -61.273860 0.000578 LBFGSLineSearch: 22 17:20:52 -61.273860 0.000472 LBFGSLineSearch: 23 17:20:56 -61.273860 0.000438 LBFGSLineSearch: 24 17:20:57 -61.273860 0.000351 LBFGSLineSearch: 25 17:20:59 -61.273860 0.000313 LBFGSLineSearch: 26 17:21:01 -61.273861 0.000189 LBFGSLineSearch: 27 17:21:01 -61.273861 0.000146 LBFGSLineSearch: 28 17:21:03 -61.273861 0.000140 LBFGSLineSearch: 29 17:21:06 -61.273861 0.000031 LBFGSLineSearch: 30 17:21:09 -61.273861 0.000000 Minimization converged after 30 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:16 -59.925863 0.096286 LBFGSLineSearch: 1 17:21:17 -59.928817 0.023424 LBFGSLineSearch: 2 17:21:17 -59.928950 0.017362 LBFGSLineSearch: 3 17:21:19 -59.928990 0.007732 LBFGSLineSearch: 4 17:21:20 -59.929006 0.005584 LBFGSLineSearch: 5 17:21:20 -59.929015 0.003627 LBFGSLineSearch: 6 17:21:21 -59.929019 0.003774 LBFGSLineSearch: 7 17:21:22 -59.929023 0.003646 LBFGSLineSearch: 8 17:21:23 -59.929026 0.003331 LBFGSLineSearch: 9 17:21:25 -59.929031 0.005217 LBFGSLineSearch: 10 17:21:26 -59.929039 0.003123 LBFGSLineSearch: 11 17:21:29 -59.929040 0.001388 LBFGSLineSearch: 12 17:21:29 -59.929040 0.001456 LBFGSLineSearch: 13 17:21:30 -59.929041 0.001458 LBFGSLineSearch: 14 17:21:31 -59.929041 0.001017 LBFGSLineSearch: 15 17:21:34 -59.929042 0.001082 LBFGSLineSearch: 16 17:21:35 -59.929043 0.000513 LBFGSLineSearch: 17 17:21:35 -59.929043 0.000488 LBFGSLineSearch: 18 17:21:36 -59.929043 0.000429 LBFGSLineSearch: 19 17:21:37 -59.929043 0.000379 LBFGSLineSearch: 20 17:21:41 -59.929043 0.000140 LBFGSLineSearch: 21 17:21:43 -59.929043 0.000034 LBFGSLineSearch: 22 17:21:44 -59.929043 0.000013 LBFGSLineSearch: 23 17:21:45 -59.929043 0.000000 Minimization converged after 23 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:51 -58.423064 0.107570 LBFGSLineSearch: 1 17:21:53 -58.426688 0.025751 LBFGSLineSearch: 2 17:21:56 -58.426843 0.018749 LBFGSLineSearch: 3 17:21:57 -58.426888 0.008249 LBFGSLineSearch: 4 17:21:58 -58.426904 0.005747 LBFGSLineSearch: 5 17:22:00 -58.426915 0.003471 LBFGSLineSearch: 6 17:22:02 -58.426918 0.003806 LBFGSLineSearch: 7 17:22:04 -58.426922 0.003572 LBFGSLineSearch: 8 17:22:06 -58.426925 0.003888 LBFGSLineSearch: 9 17:22:07 -58.426934 0.003677 LBFGSLineSearch: 10 17:22:08 -58.426936 0.003225 LBFGSLineSearch: 11 17:22:09 -58.426937 0.001445 LBFGSLineSearch: 12 17:22:11 -58.426938 0.001340 LBFGSLineSearch: 13 17:22:12 -58.426938 0.001050 LBFGSLineSearch: 14 17:22:13 -58.426939 0.001196 LBFGSLineSearch: 15 17:22:13 -58.426939 0.000923 LBFGSLineSearch: 16 17:22:14 -58.426940 0.000438 LBFGSLineSearch: 17 17:22:15 -58.426940 0.000311 LBFGSLineSearch: 18 17:22:16 -58.426940 0.000387 LBFGSLineSearch: 19 17:22:16 -58.426940 0.000129 LBFGSLineSearch: 20 17:22:16 -58.426940 0.000068 LBFGSLineSearch: 21 17:22:17 -58.426940 0.000000 Minimization converged after 21 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:23 -56.745189 0.120125 LBFGSLineSearch: 1 17:22:25 -56.749624 0.028265 LBFGSLineSearch: 2 17:22:25 -56.749805 0.020268 LBFGSLineSearch: 3 17:22:28 -56.749856 0.008610 LBFGSLineSearch: 4 17:22:29 -56.749875 0.006160 LBFGSLineSearch: 5 17:22:30 -56.749886 0.003409 LBFGSLineSearch: 6 17:22:32 -56.749890 0.003871 LBFGSLineSearch: 7 17:22:34 -56.749894 0.003610 LBFGSLineSearch: 8 17:22:34 -56.749897 0.004046 LBFGSLineSearch: 9 17:22:35 -56.749906 0.003858 LBFGSLineSearch: 10 17:22:36 -56.749907 0.002524 LBFGSLineSearch: 11 17:22:38 -56.749909 0.001280 LBFGSLineSearch: 12 17:22:40 -56.749909 0.001072 LBFGSLineSearch: 13 17:22:42 -56.749910 0.000921 LBFGSLineSearch: 14 17:22:43 -56.749910 0.000952 LBFGSLineSearch: 15 17:22:46 -56.749910 0.000439 LBFGSLineSearch: 16 17:22:49 -56.749911 0.000414 LBFGSLineSearch: 17 17:22:51 -56.749911 0.000385 LBFGSLineSearch: 18 17:22:51 -56.749911 0.000284 LBFGSLineSearch: 19 17:22:52 -56.749911 0.000126 LBFGSLineSearch: 20 17:22:52 -56.749911 0.000044 LBFGSLineSearch: 21 17:22:53 -56.749911 0.000003 Minimization converged after 21 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:00 -54.872747 0.134085 LBFGSLineSearch: 1 17:23:00 -54.878160 0.030982 LBFGSLineSearch: 2 17:23:01 -54.878372 0.021882 LBFGSLineSearch: 3 17:23:03 -54.878429 0.008969 LBFGSLineSearch: 4 17:23:04 -54.878451 0.006586 LBFGSLineSearch: 5 17:23:05 -54.878463 0.003435 LBFGSLineSearch: 6 17:23:06 -54.878466 0.003911 LBFGSLineSearch: 7 17:23:07 -54.878470 0.003619 LBFGSLineSearch: 8 17:23:07 -54.878474 0.004355 LBFGSLineSearch: 9 17:23:09 -54.878482 0.003882 LBFGSLineSearch: 10 17:23:10 -54.878484 0.001130 LBFGSLineSearch: 11 17:23:11 -54.878484 0.001246 LBFGSLineSearch: 12 17:23:12 -54.878485 0.000997 LBFGSLineSearch: 13 17:23:13 -54.878485 0.000851 LBFGSLineSearch: 14 17:23:13 -54.878486 0.000565 LBFGSLineSearch: 15 17:23:14 -54.878486 0.000390 LBFGSLineSearch: 16 17:23:16 -54.878486 0.000463 LBFGSLineSearch: 17 17:23:19 -54.878486 0.000295 LBFGSLineSearch: 18 17:23:23 -54.878486 0.000122 LBFGSLineSearch: 19 17:23:24 -54.878486 0.000038 LBFGSLineSearch: 20 17:23:24 -54.878486 0.000005 Minimization converged after 20 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:31 -52.784245 0.149593 LBFGSLineSearch: 1 17:23:31 -52.790835 0.033903 LBFGSLineSearch: 2 17:23:32 -52.791081 0.023581 LBFGSLineSearch: 3 17:23:34 -52.791146 0.009335 LBFGSLineSearch: 4 17:23:36 -52.791170 0.007020 LBFGSLineSearch: 5 17:23:37 -52.791182 0.003456 LBFGSLineSearch: 6 17:23:38 -52.791186 0.003921 LBFGSLineSearch: 7 17:23:40 -52.791189 0.003594 LBFGSLineSearch: 8 17:23:41 -52.791194 0.004092 LBFGSLineSearch: 9 17:23:42 -52.791199 0.004883 LBFGSLineSearch: 10 17:23:44 -52.791201 0.003731 LBFGSLineSearch: 11 17:23:47 -52.791202 0.001761 LBFGSLineSearch: 12 17:23:47 -52.791203 0.001111 LBFGSLineSearch: 13 17:23:48 -52.791203 0.000997 LBFGSLineSearch: 14 17:23:49 -52.791203 0.000827 LBFGSLineSearch: 15 17:23:51 -52.791203 0.000723 LBFGSLineSearch: 16 17:23:52 -52.791204 0.001002 LBFGSLineSearch: 17 17:23:54 -52.791204 0.000661 LBFGSLineSearch: 18 17:23:54 -52.791204 0.000342 LBFGSLineSearch: 19 17:23:55 -52.791204 0.000251 LBFGSLineSearch: 20 17:23:56 -52.791204 0.000122 LBFGSLineSearch: 21 17:23:56 -52.791204 0.000109 LBFGSLineSearch: 22 17:23:58 -52.791204 0.000083 LBFGSLineSearch: 23 17:24:00 -52.791204 0.000060 LBFGSLineSearch: 24 17:24:02 -52.791204 0.000009 Minimization converged after 24 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:09 -50.456018 0.166801 LBFGSLineSearch: 1 17:24:10 -50.464019 0.037023 LBFGSLineSearch: 2 17:24:11 -50.464302 0.025361 LBFGSLineSearch: 3 17:24:12 -50.464376 0.009642 LBFGSLineSearch: 4 17:24:13 -50.464402 0.007455 LBFGSLineSearch: 5 17:24:15 -50.464416 0.003436 LBFGSLineSearch: 6 17:24:18 -50.464419 0.003885 LBFGSLineSearch: 7 17:24:21 -50.464422 0.003525 LBFGSLineSearch: 8 17:24:24 -50.464430 0.005265 LBFGSLineSearch: 9 17:24:27 -50.464432 0.003032 LBFGSLineSearch: 10 17:24:30 -50.464434 0.001010 LBFGSLineSearch: 11 17:24:34 -50.464435 0.000906 LBFGSLineSearch: 12 17:24:35 -50.464435 0.000871 LBFGSLineSearch: 13 17:24:37 -50.464435 0.000728 LBFGSLineSearch: 14 17:24:40 -50.464435 0.000659 LBFGSLineSearch: 15 17:24:43 -50.464435 0.000634 LBFGSLineSearch: 16 17:24:45 -50.464436 0.000333 LBFGSLineSearch: 17 17:24:47 -50.464436 0.000323 LBFGSLineSearch: 18 17:24:48 -50.464436 0.000280 LBFGSLineSearch: 19 17:24:48 -50.464436 0.000233 LBFGSLineSearch: 20 17:24:49 -50.464436 0.000140 LBFGSLineSearch: 21 17:24:49 -50.464436 0.000099 LBFGSLineSearch: 22 17:24:49 -50.464436 0.000093 LBFGSLineSearch: 23 17:24:50 -50.464436 0.000012 LBFGSLineSearch: 24 17:24:50 -50.464436 0.000000 Minimization converged after 24 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:56 -47.862042 0.185885 LBFGSLineSearch: 1 17:24:57 -47.871727 0.040387 LBFGSLineSearch: 2 17:24:58 -47.872053 0.027262 LBFGSLineSearch: 3 17:24:59 -47.872135 0.009981 LBFGSLineSearch: 4 17:25:00 -47.872165 0.007874 LBFGSLineSearch: 5 17:25:01 -47.872178 0.003367 LBFGSLineSearch: 6 17:25:02 -47.872181 0.003807 LBFGSLineSearch: 7 17:25:03 -47.872184 0.003454 LBFGSLineSearch: 8 17:25:04 -47.872192 0.005089 LBFGSLineSearch: 9 17:25:05 -47.872194 0.002721 LBFGSLineSearch: 10 17:25:05 -47.872195 0.000888 LBFGSLineSearch: 11 17:25:07 -47.872196 0.000799 LBFGSLineSearch: 12 17:25:08 -47.872196 0.000776 LBFGSLineSearch: 13 17:25:08 -47.872196 0.000658 LBFGSLineSearch: 14 17:25:09 -47.872196 0.000567 LBFGSLineSearch: 15 17:25:10 -47.872196 0.000367 LBFGSLineSearch: 16 17:25:10 -47.872196 0.000278 LBFGSLineSearch: 17 17:25:10 -47.872196 0.000234 LBFGSLineSearch: 18 17:25:11 -47.872196 0.000236 LBFGSLineSearch: 19 17:25:11 -47.872196 0.000102 LBFGSLineSearch: 20 17:25:11 -47.872196 0.000090 LBFGSLineSearch: 21 17:25:12 -47.872196 0.000055 LBFGSLineSearch: 22 17:25:12 -47.872196 0.000016 LBFGSLineSearch: 23 17:25:13 -47.872196 0.000000 Minimization converged after 23 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:19 -44.973734 0.207033 LBFGSLineSearch: 1 17:25:19 -44.985423 0.043968 LBFGSLineSearch: 2 17:25:19 -44.985795 0.029248 LBFGSLineSearch: 3 17:25:20 -44.985888 0.010287 LBFGSLineSearch: 4 17:25:20 -44.985920 0.008269 LBFGSLineSearch: 5 17:25:20 -44.985934 0.003244 LBFGSLineSearch: 6 17:25:21 -44.985937 0.003675 LBFGSLineSearch: 7 17:25:21 -44.985939 0.003332 LBFGSLineSearch: 8 17:25:21 -44.985945 0.004828 LBFGSLineSearch: 9 17:25:22 -44.985947 0.002279 LBFGSLineSearch: 10 17:25:23 -44.985949 0.000782 LBFGSLineSearch: 11 17:25:25 -44.985949 0.000678 LBFGSLineSearch: 12 17:25:27 -44.985949 0.000648 LBFGSLineSearch: 13 17:25:28 -44.985949 0.000461 LBFGSLineSearch: 14 17:25:29 -44.985949 0.000360 LBFGSLineSearch: 15 17:25:29 -44.985949 0.000317 LBFGSLineSearch: 16 17:25:30 -44.985949 0.000231 LBFGSLineSearch: 17 17:25:30 -44.985949 0.000233 LBFGSLineSearch: 18 17:25:31 -44.985949 0.000082 LBFGSLineSearch: 19 17:25:31 -44.985949 0.000080 LBFGSLineSearch: 20 17:25:32 -44.985949 0.000075 LBFGSLineSearch: 21 17:25:32 -44.985949 0.000037 LBFGSLineSearch: 22 17:25:33 -44.985949 0.000012 LBFGSLineSearch: 23 17:25:33 -44.985949 0.000000 Minimization converged after 23 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:39 -41.759740 0.230444 LBFGSLineSearch: 1 17:25:40 -41.773804 0.047782 LBFGSLineSearch: 2 17:25:40 -41.774228 0.031337 LBFGSLineSearch: 3 17:25:41 -41.774332 0.010572 LBFGSLineSearch: 4 17:25:42 -41.774366 0.008608 LBFGSLineSearch: 5 17:25:44 -41.774380 0.003058 LBFGSLineSearch: 6 17:25:46 -41.774383 0.003482 LBFGSLineSearch: 7 17:25:47 -41.774384 0.003149 LBFGSLineSearch: 8 17:25:49 -41.774390 0.004458 LBFGSLineSearch: 9 17:25:50 -41.774392 0.001839 LBFGSLineSearch: 10 17:25:52 -41.774393 0.000778 LBFGSLineSearch: 11 17:25:52 -41.774393 0.000549 LBFGSLineSearch: 12 17:25:53 -41.774393 0.000527 LBFGSLineSearch: 13 17:25:53 -41.774393 0.000360 LBFGSLineSearch: 14 17:25:54 -41.774393 0.000344 LBFGSLineSearch: 15 17:25:54 -41.774393 0.000204 LBFGSLineSearch: 16 17:25:55 -41.774393 0.000187 LBFGSLineSearch: 17 17:25:55 -41.774393 0.000250 LBFGSLineSearch: 18 17:25:55 -41.774393 0.000080 LBFGSLineSearch: 19 17:25:56 -41.774393 0.000067 LBFGSLineSearch: 20 17:25:56 -41.774393 0.000029 LBFGSLineSearch: 21 17:25:57 -41.774393 0.000008 Minimization converged after 21 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:02 -38.185714 0.256339 LBFGSLineSearch: 1 17:26:03 -38.202580 0.051831 LBFGSLineSearch: 2 17:26:04 -38.203061 0.033526 LBFGSLineSearch: 3 17:26:06 -38.203176 0.010816 LBFGSLineSearch: 4 17:26:07 -38.203213 0.008861 LBFGSLineSearch: 5 17:26:07 -38.203227 0.002915 LBFGSLineSearch: 6 17:26:08 -38.203230 0.003218 LBFGSLineSearch: 7 17:26:08 -38.203231 0.002893 LBFGSLineSearch: 8 17:26:11 -38.203235 0.003959 LBFGSLineSearch: 9 17:26:11 -38.203237 0.001500 LBFGSLineSearch: 10 17:26:12 -38.203237 0.001053 LBFGSLineSearch: 11 17:26:13 -38.203238 0.000595 LBFGSLineSearch: 12 17:26:13 -38.203238 0.000472 LBFGSLineSearch: 13 17:26:14 -38.203238 0.000411 LBFGSLineSearch: 14 17:26:15 -38.203238 0.000368 LBFGSLineSearch: 15 17:26:15 -38.203238 0.000319 LBFGSLineSearch: 16 17:26:16 -38.203238 0.000241 LBFGSLineSearch: 17 17:26:16 -38.203238 0.000293 LBFGSLineSearch: 18 17:26:17 -38.203238 0.000148 LBFGSLineSearch: 19 17:26:17 -38.203238 0.000113 LBFGSLineSearch: 20 17:26:19 -38.203238 0.000118 LBFGSLineSearch: 21 17:26:19 -38.203238 0.000147 LBFGSLineSearch: 22 17:26:20 -38.203238 0.000060 LBFGSLineSearch: 23 17:26:20 -38.203238 0.000046 LBFGSLineSearch: 24 17:26:21 -38.203238 0.000009 Minimization converged after 24 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:27 -34.214070 0.284946 LBFGSLineSearch: 1 17:26:27 -34.234231 0.056126 LBFGSLineSearch: 2 17:26:27 -34.234774 0.035827 LBFGSLineSearch: 3 17:26:28 -34.234902 0.011635 LBFGSLineSearch: 4 17:26:28 -34.234942 0.008973 LBFGSLineSearch: 5 17:26:28 -34.234955 0.002873 LBFGSLineSearch: 6 17:26:29 -34.234957 0.002881 LBFGSLineSearch: 7 17:26:29 -34.234958 0.002545 LBFGSLineSearch: 8 17:26:29 -34.234961 0.002797 LBFGSLineSearch: 9 17:26:30 -34.234962 0.002744 LBFGSLineSearch: 10 17:26:30 -34.234963 0.000799 LBFGSLineSearch: 11 17:26:31 -34.234963 0.000264 LBFGSLineSearch: 12 17:26:31 -34.234963 0.000244 LBFGSLineSearch: 13 17:26:32 -34.234963 0.000189 LBFGSLineSearch: 14 17:26:32 -34.234963 0.000194 LBFGSLineSearch: 15 17:26:33 -34.234963 0.000166 LBFGSLineSearch: 16 17:26:33 -34.234963 0.000116 LBFGSLineSearch: 17 17:26:34 -34.234963 0.000084 LBFGSLineSearch: 18 17:26:35 -34.234963 0.000072 LBFGSLineSearch: 19 17:26:38 -34.234963 0.000071 LBFGSLineSearch: 20 17:26:38 -34.234963 0.000044 LBFGSLineSearch: 21 17:26:39 -34.234963 0.000032 LBFGSLineSearch: 22 17:26:41 -34.234963 0.000005 Minimization converged after 22 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:47 -29.803735 0.316519 LBFGSLineSearch: 1 17:26:48 -29.827756 0.060666 LBFGSLineSearch: 2 17:26:48 -29.828366 0.038240 LBFGSLineSearch: 3 17:26:49 -29.828507 0.012680 LBFGSLineSearch: 4 17:26:50 -29.828551 0.008867 LBFGSLineSearch: 5 17:26:50 -29.828560 0.004566 LBFGSLineSearch: 6 17:26:50 -29.828563 0.002165 LBFGSLineSearch: 7 17:26:50 -29.828565 0.002062 LBFGSLineSearch: 8 17:26:51 -29.828565 0.002568 LBFGSLineSearch: 9 17:26:51 -29.828567 0.002783 LBFGSLineSearch: 10 17:26:52 -29.828569 0.000905 LBFGSLineSearch: 11 17:26:52 -29.828569 0.000709 LBFGSLineSearch: 12 17:26:52 -29.828569 0.000522 LBFGSLineSearch: 13 17:26:53 -29.828569 0.000144 LBFGSLineSearch: 14 17:26:53 -29.828569 0.000047 LBFGSLineSearch: 15 17:26:53 -29.828569 0.000039 LBFGSLineSearch: 16 17:26:54 -29.828569 0.000033 LBFGSLineSearch: 17 17:26:54 -29.828569 0.000011 LBFGSLineSearch: 18 17:26:55 -29.828569 0.000011 LBFGSLineSearch: 19 17:26:56 -29.828569 0.000004 Minimization converged after 19 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:02 -24.909877 0.351339 LBFGSLineSearch: 1 17:27:02 -24.938400 0.065454 LBFGSLineSearch: 2 17:27:02 -24.939082 0.040758 LBFGSLineSearch: 3 17:27:03 -24.939239 0.013953 LBFGSLineSearch: 4 17:27:03 -24.939285 0.008475 LBFGSLineSearch: 5 17:27:04 -24.939294 0.003986 LBFGSLineSearch: 6 17:27:05 -24.939296 0.001936 LBFGSLineSearch: 7 17:27:06 -24.939297 0.002056 LBFGSLineSearch: 8 17:27:06 -24.939298 0.002170 LBFGSLineSearch: 9 17:27:07 -24.939299 0.002196 LBFGSLineSearch: 10 17:27:07 -24.939300 0.000879 LBFGSLineSearch: 11 17:27:09 -24.939300 0.000685 LBFGSLineSearch: 12 17:27:10 -24.939300 0.000415 LBFGSLineSearch: 13 17:27:10 -24.939300 0.000155 LBFGSLineSearch: 14 17:27:11 -24.939300 0.000163 LBFGSLineSearch: 15 17:27:11 -24.939300 0.000149 LBFGSLineSearch: 16 17:27:12 -24.939300 0.000187 LBFGSLineSearch: 17 17:27:13 -24.939300 0.000010 LBFGSLineSearch: 18 17:27:14 -24.939300 0.000005 Minimization converged after 18 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:21 -19.483615 0.389695 LBFGSLineSearch: 1 17:27:22 -19.517369 0.070501 LBFGSLineSearch: 2 17:27:23 -19.518130 0.043400 LBFGSLineSearch: 3 17:27:24 -19.518302 0.015499 LBFGSLineSearch: 4 17:27:24 -19.518352 0.007771 LBFGSLineSearch: 5 17:27:25 -19.518359 0.003362 LBFGSLineSearch: 6 17:27:26 -19.518361 0.001908 LBFGSLineSearch: 7 17:27:26 -19.518362 0.001993 LBFGSLineSearch: 8 17:27:27 -19.518362 0.001783 LBFGSLineSearch: 9 17:27:28 -19.518363 0.001692 LBFGSLineSearch: 10 17:27:29 -19.518363 0.001417 LBFGSLineSearch: 11 17:27:30 -19.518364 0.001700 LBFGSLineSearch: 12 17:27:32 -19.518364 0.000659 LBFGSLineSearch: 13 17:27:34 -19.518365 0.000490 LBFGSLineSearch: 14 17:27:36 -19.518365 0.000353 LBFGSLineSearch: 15 17:27:39 -19.518365 0.000369 LBFGSLineSearch: 16 17:27:43 -19.518365 0.000278 LBFGSLineSearch: 17 17:27:45 -19.518365 0.000176 LBFGSLineSearch: 18 17:27:47 -19.518365 0.000116 LBFGSLineSearch: 19 17:27:48 -19.518365 0.000094 LBFGSLineSearch: 20 17:27:49 -19.518365 0.000069 LBFGSLineSearch: 21 17:27:49 -19.518365 0.000064 LBFGSLineSearch: 22 17:27:50 -19.518365 0.000020 LBFGSLineSearch: 23 17:27:50 -19.518365 0.000018 LBFGSLineSearch: 24 17:27:50 -19.518365 0.000018 LBFGSLineSearch: 25 17:27:51 -19.518365 0.000000 Minimization converged after 25 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:56 -13.471717 0.431903 LBFGSLineSearch: 1 17:27:57 -13.511527 0.075806 LBFGSLineSearch: 2 17:27:57 -13.512372 0.046153 LBFGSLineSearch: 3 17:27:57 -13.512560 0.017396 LBFGSLineSearch: 4 17:27:58 -13.512613 0.006929 LBFGSLineSearch: 5 17:27:59 -13.512620 0.002891 LBFGSLineSearch: 6 17:27:59 -13.512622 0.002025 LBFGSLineSearch: 7 17:28:00 -13.512622 0.002054 LBFGSLineSearch: 8 17:28:00 -13.512622 0.001839 LBFGSLineSearch: 9 17:28:01 -13.512623 0.001450 LBFGSLineSearch: 10 17:28:01 -13.512624 0.001552 LBFGSLineSearch: 11 17:28:02 -13.512624 0.001957 LBFGSLineSearch: 12 17:28:03 -13.512625 0.000824 LBFGSLineSearch: 13 17:28:04 -13.512625 0.000787 LBFGSLineSearch: 14 17:28:04 -13.512625 0.000558 LBFGSLineSearch: 15 17:28:05 -13.512625 0.000559 LBFGSLineSearch: 16 17:28:08 -13.512625 0.000249 LBFGSLineSearch: 17 17:28:09 -13.512625 0.000181 LBFGSLineSearch: 18 17:28:10 -13.512625 0.000158 LBFGSLineSearch: 19 17:28:11 -13.512625 0.000172 LBFGSLineSearch: 20 17:28:12 -13.512625 0.000166 LBFGSLineSearch: 21 17:28:12 -13.512625 0.000023 LBFGSLineSearch: 22 17:28:12 -13.512625 0.000022 LBFGSLineSearch: 23 17:28:13 -13.512625 0.000016 LBFGSLineSearch: 24 17:28:13 -13.512625 0.000000 Minimization converged after 24 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:18 -6.816271 0.478311 LBFGSLineSearch: 1 17:28:19 -6.863068 0.081375 LBFGSLineSearch: 2 17:28:19 -6.864003 0.049025 LBFGSLineSearch: 3 17:28:20 -6.864208 0.019646 LBFGSLineSearch: 4 17:28:20 -6.864265 0.006430 LBFGSLineSearch: 5 17:28:21 -6.864270 0.002920 LBFGSLineSearch: 6 17:28:21 -6.864272 0.002136 LBFGSLineSearch: 7 17:28:22 -6.864273 0.002117 LBFGSLineSearch: 8 17:28:22 -6.864273 0.001942 LBFGSLineSearch: 9 17:28:23 -6.864274 0.002135 LBFGSLineSearch: 10 17:28:24 -6.864275 0.001913 LBFGSLineSearch: 11 17:28:25 -6.864276 0.002558 LBFGSLineSearch: 12 17:28:25 -6.864277 0.001010 LBFGSLineSearch: 13 17:28:26 -6.864277 0.001075 LBFGSLineSearch: 14 17:28:26 -6.864278 0.000802 LBFGSLineSearch: 15 17:28:27 -6.864278 0.000767 LBFGSLineSearch: 16 17:28:28 -6.864278 0.000650 LBFGSLineSearch: 17 17:28:28 -6.864278 0.000770 LBFGSLineSearch: 18 17:28:30 -6.864278 0.000223 LBFGSLineSearch: 19 17:28:30 -6.864278 0.000264 LBFGSLineSearch: 20 17:28:30 -6.864278 0.000011 LBFGSLineSearch: 21 17:28:31 -6.864278 0.000001 Minimization converged after 21 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:36 0.545650 0.529281 LBFGSLineSearch: 1 17:28:37 0.501977 0.244503 LBFGSLineSearch: 2 17:28:37 0.490238 0.059349 LBFGSLineSearch: 3 17:28:38 0.489604 0.028461 LBFGSLineSearch: 4 17:28:38 0.489516 0.009579 LBFGSLineSearch: 5 17:28:39 0.489504 0.004856 LBFGSLineSearch: 6 17:28:39 0.489501 0.002556 LBFGSLineSearch: 7 17:28:40 0.489500 0.002457 LBFGSLineSearch: 8 17:28:41 0.489499 0.003279 LBFGSLineSearch: 9 17:28:41 0.489496 0.002705 LBFGSLineSearch: 10 17:28:41 0.489494 0.003133 LBFGSLineSearch: 11 17:28:42 0.489492 0.001541 LBFGSLineSearch: 12 17:28:42 0.489491 0.001055 LBFGSLineSearch: 13 17:28:42 0.489491 0.001131 LBFGSLineSearch: 14 17:28:43 0.489491 0.001333 LBFGSLineSearch: 15 17:28:43 0.489491 0.000902 LBFGSLineSearch: 16 17:28:45 0.489490 0.001125 LBFGSLineSearch: 17 17:28:47 0.489490 0.000399 LBFGSLineSearch: 18 17:28:50 0.489490 0.000406 LBFGSLineSearch: 19 17:28:53 0.489490 0.000571 LBFGSLineSearch: 20 17:28:56 0.489490 0.000307 LBFGSLineSearch: 21 17:28:59 0.489490 0.000120 LBFGSLineSearch: 22 17:29:00 0.489490 0.000031 LBFGSLineSearch: 23 17:29:01 0.489490 0.000007 Minimization converged after 23 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:06 8.682361 0.585208 LBFGSLineSearch: 1 17:29:06 8.629912 0.255299 LBFGSLineSearch: 2 17:29:07 8.617669 0.062087 LBFGSLineSearch: 3 17:29:07 8.616991 0.028864 LBFGSLineSearch: 4 17:29:08 8.616902 0.009915 LBFGSLineSearch: 5 17:29:09 8.616891 0.005194 LBFGSLineSearch: 6 17:29:11 8.616888 0.003629 LBFGSLineSearch: 7 17:29:13 8.616886 0.002997 LBFGSLineSearch: 8 17:29:16 8.616883 0.004977 LBFGSLineSearch: 9 17:29:18 8.616877 0.005007 LBFGSLineSearch: 10 17:29:20 8.616874 0.003577 LBFGSLineSearch: 11 17:29:23 8.616872 0.002077 LBFGSLineSearch: 12 17:29:26 8.616871 0.001483 LBFGSLineSearch: 13 17:29:30 8.616871 0.001473 LBFGSLineSearch: 14 17:29:33 8.616870 0.001457 LBFGSLineSearch: 15 17:29:36 8.616869 0.000699 LBFGSLineSearch: 16 17:29:36 8.616869 0.000639 LBFGSLineSearch: 17 17:29:37 8.616869 0.000718 LBFGSLineSearch: 18 17:29:38 8.616869 0.000445 LBFGSLineSearch: 19 17:29:39 8.616869 0.000358 LBFGSLineSearch: 20 17:29:39 8.616869 0.000199 LBFGSLineSearch: 21 17:29:40 8.616869 0.000043 LBFGSLineSearch: 22 17:29:41 8.616869 0.000058 LBFGSLineSearch: 23 17:29:41 8.616869 0.000004 Minimization converged after 23 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:47 17.667949 0.646510 LBFGSLineSearch: 1 17:29:48 17.605182 0.263994 LBFGSLineSearch: 2 17:29:48 17.592666 0.064731 LBFGSLineSearch: 3 17:29:49 17.591944 0.029476 LBFGSLineSearch: 4 17:29:49 17.591856 0.011808 LBFGSLineSearch: 5 17:29:49 17.591843 0.006773 LBFGSLineSearch: 6 17:29:50 17.591839 0.004841 LBFGSLineSearch: 7 17:29:50 17.591836 0.003903 LBFGSLineSearch: 8 17:29:53 17.591829 0.006446 LBFGSLineSearch: 9 17:29:53 17.591820 0.006992 LBFGSLineSearch: 10 17:29:54 17.591815 0.004100 LBFGSLineSearch: 11 17:29:56 17.591812 0.002523 LBFGSLineSearch: 12 17:29:58 17.591811 0.002209 LBFGSLineSearch: 13 17:30:00 17.591811 0.001656 LBFGSLineSearch: 14 17:30:01 17.591809 0.002034 LBFGSLineSearch: 15 17:30:01 17.591808 0.000941 LBFGSLineSearch: 16 17:30:02 17.591808 0.001060 LBFGSLineSearch: 17 17:30:02 17.591808 0.000759 LBFGSLineSearch: 18 17:30:02 17.591808 0.000079 LBFGSLineSearch: 19 17:30:03 17.591808 0.000085 LBFGSLineSearch: 20 17:30:03 17.591808 0.000011 LBFGSLineSearch: 21 17:30:04 17.591808 0.000000 Minimization converged after 21 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:09 27.582684 0.713634 LBFGSLineSearch: 1 17:30:11 27.507850 0.269816 LBFGSLineSearch: 2 17:30:11 27.495348 0.067274 LBFGSLineSearch: 3 17:30:12 27.494586 0.030688 LBFGSLineSearch: 4 17:30:13 27.494515 0.015773 LBFGSLineSearch: 5 17:30:13 27.494482 0.008778 LBFGSLineSearch: 6 17:30:13 27.494476 0.006055 LBFGSLineSearch: 7 17:30:14 27.494468 0.008087 LBFGSLineSearch: 8 17:30:14 27.494457 0.008175 LBFGSLineSearch: 9 17:30:15 27.494444 0.007135 LBFGSLineSearch: 10 17:30:15 27.494436 0.003438 LBFGSLineSearch: 11 17:30:16 27.494433 0.003057 LBFGSLineSearch: 12 17:30:16 27.494432 0.002140 LBFGSLineSearch: 13 17:30:17 27.494430 0.002919 LBFGSLineSearch: 14 17:30:17 27.494428 0.001297 LBFGSLineSearch: 15 17:30:17 27.494428 0.001140 LBFGSLineSearch: 16 17:30:17 27.494427 0.000768 LBFGSLineSearch: 17 17:30:18 27.494427 0.000656 LBFGSLineSearch: 18 17:30:18 27.494427 0.000394 LBFGSLineSearch: 19 17:30:18 27.494427 0.000082 LBFGSLineSearch: 20 17:30:19 27.494427 0.000084 LBFGSLineSearch: 21 17:30:19 27.494427 0.000065 LBFGSLineSearch: 22 17:30:19 27.494426 0.000036 LBFGSLineSearch: 23 17:30:19 27.494426 0.000001 Minimization converged after 23 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:25 38.513452 0.787074 LBFGSLineSearch: 1 17:30:25 38.424586 0.271797 LBFGSLineSearch: 2 17:30:25 38.412440 0.069712 LBFGSLineSearch: 3 17:30:25 38.411642 0.033027 LBFGSLineSearch: 4 17:30:26 38.411562 0.014726 LBFGSLineSearch: 5 17:30:26 38.411531 0.011162 LBFGSLineSearch: 6 17:30:26 38.411523 0.007685 LBFGSLineSearch: 7 17:30:27 38.411509 0.011296 LBFGSLineSearch: 8 17:30:27 38.411489 0.010946 LBFGSLineSearch: 9 17:30:28 38.411470 0.007543 LBFGSLineSearch: 10 17:30:29 38.411460 0.004061 LBFGSLineSearch: 11 17:30:30 38.411457 0.003547 LBFGSLineSearch: 12 17:30:30 38.411455 0.002675 LBFGSLineSearch: 13 17:30:32 38.411453 0.002579 LBFGSLineSearch: 14 17:30:33 38.411451 0.002459 LBFGSLineSearch: 15 17:30:33 38.411449 0.001693 LBFGSLineSearch: 16 17:30:34 38.411449 0.001712 LBFGSLineSearch: 17 17:30:34 38.411449 0.001592 LBFGSLineSearch: 18 17:30:35 38.411448 0.002466 LBFGSLineSearch: 19 17:30:35 38.411447 0.000553 LBFGSLineSearch: 20 17:30:35 38.411447 0.000186 LBFGSLineSearch: 21 17:30:35 38.411447 0.000079 LBFGSLineSearch: 22 17:30:36 38.411447 0.000086 LBFGSLineSearch: 23 17:30:37 38.411447 0.000064 LBFGSLineSearch: 24 17:30:37 38.411447 0.000021 LBFGSLineSearch: 25 17:30:38 38.411447 0.000001 Minimization converged after 25 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:44 50.554207 0.867341 LBFGSLineSearch: 1 17:30:45 50.449131 0.268790 LBFGSLineSearch: 2 17:30:45 50.437723 0.072065 LBFGSLineSearch: 3 17:30:45 50.436895 0.037081 LBFGSLineSearch: 4 17:30:46 50.436802 0.013817 LBFGSLineSearch: 5 17:30:46 50.436773 0.013635 LBFGSLineSearch: 6 17:30:47 50.436760 0.009620 LBFGSLineSearch: 7 17:30:47 50.436734 0.011798 LBFGSLineSearch: 8 17:30:47 50.436705 0.010778 LBFGSLineSearch: 9 17:30:47 50.436678 0.010231 LBFGSLineSearch: 10 17:30:48 50.436665 0.005001 LBFGSLineSearch: 11 17:30:48 50.436661 0.003647 LBFGSLineSearch: 12 17:30:49 50.436659 0.003825 LBFGSLineSearch: 13 17:30:49 50.436656 0.004955 LBFGSLineSearch: 14 17:30:50 50.436651 0.002527 LBFGSLineSearch: 15 17:30:50 50.436650 0.001934 LBFGSLineSearch: 16 17:30:51 50.436649 0.002611 LBFGSLineSearch: 17 17:30:52 50.436646 0.000857 LBFGSLineSearch: 18 17:30:52 50.436646 0.000214 LBFGSLineSearch: 19 17:30:53 50.436646 0.000103 LBFGSLineSearch: 20 17:30:54 50.436646 0.000055 LBFGSLineSearch: 21 17:30:55 50.436646 0.000008 Minimization converged after 21 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:01 63.806458 0.954991 LBFGSLineSearch: 1 17:31:01 63.682789 0.259420 LBFGSLineSearch: 2 17:31:01 63.672515 0.074388 LBFGSLineSearch: 3 17:31:01 63.671670 0.043163 LBFGSLineSearch: 4 17:31:02 63.671555 0.017865 LBFGSLineSearch: 5 17:31:02 63.671524 0.016059 LBFGSLineSearch: 6 17:31:04 63.671504 0.011838 LBFGSLineSearch: 7 17:31:07 63.671463 0.013418 LBFGSLineSearch: 8 17:31:09 63.671424 0.012377 LBFGSLineSearch: 9 17:31:10 63.671385 0.012602 LBFGSLineSearch: 10 17:31:10 63.671367 0.005573 LBFGSLineSearch: 11 17:31:11 63.671361 0.004294 LBFGSLineSearch: 12 17:31:14 63.671358 0.004304 LBFGSLineSearch: 13 17:31:17 63.671351 0.005134 LBFGSLineSearch: 14 17:31:18 63.671347 0.003745 LBFGSLineSearch: 15 17:31:19 63.671346 0.002673 LBFGSLineSearch: 16 17:31:21 63.671345 0.003041 LBFGSLineSearch: 17 17:31:23 63.671342 0.002906 LBFGSLineSearch: 18 17:31:24 63.671340 0.001925 LBFGSLineSearch: 19 17:31:24 63.671340 0.000480 LBFGSLineSearch: 20 17:31:25 63.671340 0.000086 LBFGSLineSearch: 21 17:31:25 63.671340 0.000025 LBFGSLineSearch: 22 17:31:25 63.671340 0.000003 Minimization converged after 22 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:30 78.379774 1.050603 LBFGSLineSearch: 1 17:31:31 78.234947 0.242038 LBFGSLineSearch: 2 17:31:31 78.226177 0.076801 LBFGSLineSearch: 3 17:31:31 78.225331 0.050944 LBFGSLineSearch: 4 17:31:31 78.225184 0.023156 LBFGSLineSearch: 5 17:31:32 78.225146 0.018534 LBFGSLineSearch: 6 17:31:32 78.225118 0.015031 LBFGSLineSearch: 7 17:31:33 78.225059 0.022793 LBFGSLineSearch: 8 17:31:33 78.225004 0.015522 LBFGSLineSearch: 9 17:31:34 78.224949 0.015127 LBFGSLineSearch: 10 17:31:34 78.224921 0.006404 LBFGSLineSearch: 11 17:31:35 78.224914 0.005385 LBFGSLineSearch: 12 17:31:35 78.224907 0.006170 LBFGSLineSearch: 13 17:31:36 78.224895 0.003735 LBFGSLineSearch: 14 17:31:36 78.224893 0.003373 LBFGSLineSearch: 15 17:31:38 78.224892 0.003359 LBFGSLineSearch: 16 17:31:40 78.224888 0.003494 LBFGSLineSearch: 17 17:31:41 78.224884 0.002361 LBFGSLineSearch: 18 17:31:41 78.224883 0.000801 LBFGSLineSearch: 19 17:31:41 78.224883 0.000141 LBFGSLineSearch: 20 17:31:42 78.224883 0.000101 LBFGSLineSearch: 21 17:31:42 78.224883 0.000102 LBFGSLineSearch: 22 17:31:43 78.224883 0.000094 LBFGSLineSearch: 23 17:31:43 78.224883 0.000024 LBFGSLineSearch: 24 17:31:44 78.224883 0.000000 Minimization converged after 24 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:51 94.392310 1.154816 LBFGSLineSearch: 1 17:31:53 94.223631 0.214719 LBFGSLineSearch: 2 17:31:56 94.216644 0.079505 LBFGSLineSearch: 3 17:31:59 94.215809 0.059230 LBFGSLineSearch: 4 17:32:01 94.215621 0.028363 LBFGSLineSearch: 5 17:32:03 94.215572 0.021168 LBFGSLineSearch: 6 17:32:05 94.215531 0.018578 LBFGSLineSearch: 7 17:32:06 94.215452 0.027388 LBFGSLineSearch: 8 17:32:07 94.215376 0.022180 LBFGSLineSearch: 9 17:32:08 94.215292 0.017331 LBFGSLineSearch: 10 17:32:08 94.215256 0.006443 LBFGSLineSearch: 11 17:32:09 94.215245 0.005956 LBFGSLineSearch: 12 17:32:09 94.215233 0.007898 LBFGSLineSearch: 13 17:32:10 94.215220 0.004170 LBFGSLineSearch: 14 17:32:10 94.215217 0.004026 LBFGSLineSearch: 15 17:32:11 94.215213 0.003646 LBFGSLineSearch: 16 17:32:11 94.215205 0.004235 LBFGSLineSearch: 17 17:32:12 94.215204 0.001237 LBFGSLineSearch: 18 17:32:13 94.215203 0.000301 LBFGSLineSearch: 19 17:32:13 94.215203 0.000251 LBFGSLineSearch: 20 17:32:14 94.215203 0.000156 LBFGSLineSearch: 21 17:32:14 94.215203 0.000057 LBFGSLineSearch: 22 17:32:14 94.215203 0.000000 Minimization converged after 22 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:19 111.971367 1.268297 LBFGSLineSearch: 1 17:32:20 111.776087 0.175177 LBFGSLineSearch: 2 17:32:20 111.770974 0.082859 LBFGSLineSearch: 3 17:32:21 111.770262 0.048754 LBFGSLineSearch: 4 17:32:21 111.769926 0.032767 LBFGSLineSearch: 5 17:32:22 111.769863 0.022142 LBFGSLineSearch: 6 17:32:22 111.769803 0.025136 LBFGSLineSearch: 7 17:32:24 111.769699 0.036240 LBFGSLineSearch: 8 17:32:26 111.769595 0.020938 LBFGSLineSearch: 9 17:32:26 111.769473 0.017826 LBFGSLineSearch: 10 17:32:26 111.769428 0.009101 LBFGSLineSearch: 11 17:32:27 111.769414 0.008300 LBFGSLineSearch: 12 17:32:28 111.769395 0.008078 LBFGSLineSearch: 13 17:32:29 111.769378 0.005394 LBFGSLineSearch: 14 17:32:29 111.769375 0.004704 LBFGSLineSearch: 15 17:32:29 111.769367 0.007010 LBFGSLineSearch: 16 17:32:30 111.769357 0.008109 LBFGSLineSearch: 17 17:32:30 111.769355 0.003188 LBFGSLineSearch: 18 17:32:31 111.769354 0.000601 LBFGSLineSearch: 19 17:32:31 111.769354 0.000516 LBFGSLineSearch: 20 17:32:31 111.769354 0.000288 LBFGSLineSearch: 21 17:32:32 111.769354 0.000095 LBFGSLineSearch: 22 17:32:32 111.769354 0.000018 LBFGSLineSearch: 23 17:32:33 111.769354 0.000000 Minimization converged after 23 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:38 131.253981 1.391759 LBFGSLineSearch: 1 17:32:38 131.029412 0.151000 LBFGSLineSearch: 2 17:32:39 131.025944 0.087378 LBFGSLineSearch: 3 17:32:39 131.025125 0.061556 LBFGSLineSearch: 4 17:32:39 131.024866 0.036552 LBFGSLineSearch: 5 17:32:40 131.024789 0.026296 LBFGSLineSearch: 6 17:32:41 131.024717 0.029072 LBFGSLineSearch: 7 17:32:41 131.024576 0.040809 LBFGSLineSearch: 8 17:32:43 131.024433 0.028504 LBFGSLineSearch: 9 17:32:43 131.024240 0.017282 LBFGSLineSearch: 10 17:32:44 131.024204 0.009753 LBFGSLineSearch: 11 17:32:46 131.024175 0.010320 LBFGSLineSearch: 12 17:32:47 131.024149 0.009185 LBFGSLineSearch: 13 17:32:48 131.024137 0.005704 LBFGSLineSearch: 14 17:32:49 131.024132 0.005527 LBFGSLineSearch: 15 17:32:49 131.024113 0.008837 LBFGSLineSearch: 16 17:32:50 131.024106 0.002721 LBFGSLineSearch: 17 17:32:50 131.024106 0.001004 LBFGSLineSearch: 18 17:32:50 131.024106 0.001222 LBFGSLineSearch: 19 17:32:50 131.024106 0.000532 LBFGSLineSearch: 20 17:32:51 131.024106 0.000310 LBFGSLineSearch: 21 17:32:51 131.024106 0.000096 LBFGSLineSearch: 22 17:32:53 131.024106 0.000006 Minimization converged after 22 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:59 152.387548 1.525964 LBFGSLineSearch: 1 17:32:59 152.131232 0.170106 LBFGSLineSearch: 2 17:32:59 152.128668 0.093836 LBFGSLineSearch: 3 17:32:59 152.127776 0.084644 LBFGSLineSearch: 4 17:33:00 152.127539 0.034513 LBFGSLineSearch: 5 17:33:00 152.127466 0.030853 LBFGSLineSearch: 6 17:33:00 152.127375 0.028054 LBFGSLineSearch: 7 17:33:00 152.127220 0.052863 LBFGSLineSearch: 8 17:33:01 152.126999 0.033901 LBFGSLineSearch: 9 17:33:01 152.126838 0.035100 LBFGSLineSearch: 10 17:33:01 152.126713 0.010600 LBFGSLineSearch: 11 17:33:02 152.126669 0.011924 LBFGSLineSearch: 12 17:33:02 152.126634 0.010946 LBFGSLineSearch: 13 17:33:03 152.126617 0.007069 LBFGSLineSearch: 14 17:33:03 152.126610 0.009889 LBFGSLineSearch: 15 17:33:04 152.126577 0.005599 LBFGSLineSearch: 16 17:33:04 152.126574 0.001655 LBFGSLineSearch: 17 17:33:05 152.126574 0.001686 LBFGSLineSearch: 18 17:33:06 152.126574 0.001537 LBFGSLineSearch: 19 17:33:08 152.126573 0.000937 LBFGSLineSearch: 20 17:33:09 152.126573 0.000314 LBFGSLineSearch: 21 17:33:09 152.126573 0.000041 LBFGSLineSearch: 22 17:33:10 152.126573 0.000000 Minimization converged after 22 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:16 175.530497 1.671709 LBFGSLineSearch: 1 17:33:16 175.240101 0.187316 LBFGSLineSearch: 2 17:33:17 175.237277 0.103002 LBFGSLineSearch: 3 17:33:17 175.236437 0.103075 LBFGSLineSearch: 4 17:33:17 175.236108 0.039753 LBFGSLineSearch: 5 17:33:18 175.236024 0.033218 LBFGSLineSearch: 6 17:33:19 175.235900 0.027254 LBFGSLineSearch: 7 17:33:19 175.235733 0.039682 LBFGSLineSearch: 8 17:33:20 175.235512 0.038886 LBFGSLineSearch: 9 17:33:22 175.235214 0.032894 LBFGSLineSearch: 10 17:33:24 175.235120 0.020740 LBFGSLineSearch: 11 17:33:25 175.235067 0.011448 LBFGSLineSearch: 12 17:33:28 175.235027 0.021678 LBFGSLineSearch: 13 17:33:29 175.234954 0.009594 LBFGSLineSearch: 14 17:33:29 175.234945 0.008771 LBFGSLineSearch: 15 17:33:29 175.234921 0.008534 LBFGSLineSearch: 16 17:33:30 175.234900 0.008985 LBFGSLineSearch: 17 17:33:31 175.234896 0.002979 LBFGSLineSearch: 18 17:33:32 175.234896 0.002366 LBFGSLineSearch: 19 17:33:32 175.234895 0.003089 LBFGSLineSearch: 20 17:33:33 175.234894 0.000907 LBFGSLineSearch: 21 17:33:33 175.234894 0.000291 LBFGSLineSearch: 22 17:33:34 175.234894 0.000035 LBFGSLineSearch: 23 17:33:34 175.234894 0.000002 Minimization converged after 23 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:41 200.853031 1.829867 LBFGSLineSearch: 1 17:33:42 200.524841 0.198853 LBFGSLineSearch: 2 17:33:42 200.521653 0.115807 LBFGSLineSearch: 3 17:33:42 200.520703 0.079771 LBFGSLineSearch: 4 17:33:42 200.520440 0.043905 LBFGSLineSearch: 5 17:33:43 200.520285 0.035200 LBFGSLineSearch: 6 17:33:43 200.520126 0.037618 LBFGSLineSearch: 7 17:33:43 200.519893 0.033843 LBFGSLineSearch: 8 17:33:43 200.519631 0.040618 LBFGSLineSearch: 9 17:33:44 200.519236 0.019373 LBFGSLineSearch: 10 17:33:44 200.519155 0.031059 LBFGSLineSearch: 11 17:33:44 200.519043 0.010840 LBFGSLineSearch: 12 17:33:45 200.519034 0.011296 LBFGSLineSearch: 13 17:33:47 200.518996 0.013624 LBFGSLineSearch: 14 17:33:47 200.518964 0.005468 LBFGSLineSearch: 15 17:33:47 200.518963 0.003609 LBFGSLineSearch: 16 17:33:48 200.518962 0.004423 LBFGSLineSearch: 17 17:33:48 200.518958 0.002089 LBFGSLineSearch: 18 17:33:49 200.518958 0.000565 LBFGSLineSearch: 19 17:33:49 200.518958 0.000244 LBFGSLineSearch: 20 17:33:49 200.518958 0.000007 Minimization converged after 20 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:55 228.537896 2.001355 LBFGSLineSearch: 1 17:33:56 228.167776 0.211021 LBFGSLineSearch: 2 17:33:56 228.164200 0.133194 LBFGSLineSearch: 3 17:33:57 228.163222 0.080930 LBFGSLineSearch: 4 17:33:58 228.162935 0.048024 LBFGSLineSearch: 5 17:33:58 228.162736 0.040302 LBFGSLineSearch: 6 17:33:58 228.162537 0.039418 LBFGSLineSearch: 7 17:33:58 228.162279 0.039034 LBFGSLineSearch: 8 17:33:59 228.161956 0.041434 LBFGSLineSearch: 9 17:34:01 228.161533 0.022088 LBFGSLineSearch: 10 17:34:01 228.161397 0.020961 LBFGSLineSearch: 11 17:34:02 228.161320 0.012728 LBFGSLineSearch: 12 17:34:03 228.161281 0.012404 LBFGSLineSearch: 13 17:34:03 228.161270 0.012114 LBFGSLineSearch: 14 17:34:04 228.161220 0.014768 LBFGSLineSearch: 15 17:34:05 228.161185 0.004425 LBFGSLineSearch: 16 17:34:06 228.161184 0.004509 LBFGSLineSearch: 17 17:34:07 228.161177 0.003570 LBFGSLineSearch: 18 17:34:07 228.161176 0.000779 LBFGSLineSearch: 19 17:34:07 228.161176 0.000004 Minimization converged after 19 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:13 258.781201 2.187147 LBFGSLineSearch: 1 17:34:13 258.364635 0.223748 LBFGSLineSearch: 2 17:34:14 258.360661 0.155875 LBFGSLineSearch: 3 17:34:14 258.359632 0.079686 LBFGSLineSearch: 4 17:34:15 258.359329 0.052129 LBFGSLineSearch: 5 17:34:15 258.359083 0.046323 LBFGSLineSearch: 6 17:34:15 258.358860 0.044710 LBFGSLineSearch: 7 17:34:16 258.358567 0.044321 LBFGSLineSearch: 8 17:34:18 258.358183 0.045323 LBFGSLineSearch: 9 17:34:20 258.357743 0.025792 LBFGSLineSearch: 10 17:34:22 258.357568 0.024186 LBFGSLineSearch: 11 17:34:24 258.357446 0.014338 LBFGSLineSearch: 12 17:34:25 258.357425 0.014657 LBFGSLineSearch: 13 17:34:25 258.357409 0.015054 LBFGSLineSearch: 14 17:34:26 258.357312 0.011062 LBFGSLineSearch: 15 17:34:26 258.357302 0.005756 LBFGSLineSearch: 16 17:34:26 258.357299 0.005553 LBFGSLineSearch: 17 17:34:27 258.357296 0.005353 LBFGSLineSearch: 18 17:34:27 258.357286 0.000376 LBFGSLineSearch: 19 17:34:27 258.357286 0.000000 Minimization converged after 19 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:32 291.793243 2.388283 LBFGSLineSearch: 1 17:34:33 291.325312 0.236917 LBFGSLineSearch: 2 17:34:33 291.320948 0.184546 LBFGSLineSearch: 3 17:34:34 291.319835 0.076498 LBFGSLineSearch: 4 17:34:34 291.319522 0.056271 LBFGSLineSearch: 5 17:34:35 291.319230 0.052065 LBFGSLineSearch: 6 17:34:36 291.318994 0.048989 LBFGSLineSearch: 7 17:34:36 291.318648 0.049503 LBFGSLineSearch: 8 17:34:36 291.318203 0.050032 LBFGSLineSearch: 9 17:34:37 291.317757 0.027893 LBFGSLineSearch: 10 17:34:37 291.317566 0.037176 LBFGSLineSearch: 11 17:34:39 291.317401 0.021553 LBFGSLineSearch: 12 17:34:41 291.317371 0.018290 LBFGSLineSearch: 13 17:34:42 291.317354 0.017681 LBFGSLineSearch: 14 17:34:44 291.317316 0.026664 LBFGSLineSearch: 15 17:34:44 291.317203 0.006857 LBFGSLineSearch: 16 17:34:45 291.317198 0.006764 LBFGSLineSearch: 17 17:34:45 291.317193 0.007014 LBFGSLineSearch: 18 17:34:47 291.317176 0.001590 LBFGSLineSearch: 19 17:34:49 291.317176 0.000113 LBFGSLineSearch: 20 17:34:49 291.317176 0.000008 Minimization converged after 20 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:55 327.799347 2.605871 LBFGSLineSearch: 1 17:34:56 327.274694 0.253986 LBFGSLineSearch: 2 17:34:56 327.269972 0.219547 LBFGSLineSearch: 3 17:34:57 327.268730 0.086155 LBFGSLineSearch: 4 17:34:57 327.268408 0.068371 LBFGSLineSearch: 5 17:34:57 327.268082 0.056122 LBFGSLineSearch: 6 17:34:57 327.267836 0.051722 LBFGSLineSearch: 7 17:34:58 327.267416 0.054177 LBFGSLineSearch: 8 17:34:58 327.266948 0.055489 LBFGSLineSearch: 9 17:35:01 327.266468 0.032666 LBFGSLineSearch: 10 17:35:02 327.266243 0.040992 LBFGSLineSearch: 11 17:35:03 327.266035 0.023543 LBFGSLineSearch: 12 17:35:04 327.265997 0.022931 LBFGSLineSearch: 13 17:35:04 327.265962 0.020614 LBFGSLineSearch: 14 17:35:04 327.265748 0.009731 LBFGSLineSearch: 15 17:35:05 327.265744 0.008596 LBFGSLineSearch: 16 17:35:05 327.265710 0.009585 LBFGSLineSearch: 17 17:35:05 327.265706 0.001381 LBFGSLineSearch: 18 17:35:05 327.265706 0.000001 Minimization converged after 18 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:11 367.040685 2.841069 LBFGSLineSearch: 1 17:35:12 366.453483 0.281755 LBFGSLineSearch: 2 17:35:12 366.448468 0.260958 LBFGSLineSearch: 3 17:35:13 366.447039 0.106112 LBFGSLineSearch: 4 17:35:13 366.446700 0.084684 LBFGSLineSearch: 5 17:35:14 366.446425 0.056645 LBFGSLineSearch: 6 17:35:15 366.446106 0.053672 LBFGSLineSearch: 7 17:35:15 366.445803 0.099524 LBFGSLineSearch: 8 17:35:15 366.445443 0.053351 LBFGSLineSearch: 9 17:35:16 366.444910 0.062862 LBFGSLineSearch: 10 17:35:17 366.444431 0.045439 LBFGSLineSearch: 11 17:35:17 366.444199 0.045049 LBFGSLineSearch: 12 17:35:18 366.444020 0.023456 LBFGSLineSearch: 13 17:35:18 366.443972 0.027055 LBFGSLineSearch: 14 17:35:19 366.443904 0.032120 LBFGSLineSearch: 15 17:35:19 366.443647 0.013360 LBFGSLineSearch: 16 17:35:20 366.443593 0.011054 LBFGSLineSearch: 17 17:35:20 366.443579 0.010773 LBFGSLineSearch: 18 17:35:21 366.443544 0.012808 LBFGSLineSearch: 19 17:35:21 366.443531 0.005149 LBFGSLineSearch: 20 17:35:22 366.443529 0.000102 LBFGSLineSearch: 21 17:35:23 366.443529 0.000014 LBFGSLineSearch: 22 17:35:23 366.443529 0.000000 Minimization converged after 22 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:29 409.775066 3.095110 LBFGSLineSearch: 1 17:35:29 409.118994 0.310918 LBFGSLineSearch: 2 17:35:29 409.113787 0.308195 LBFGSLineSearch: 3 17:35:30 409.112102 0.131756 LBFGSLineSearch: 4 17:35:30 409.111635 0.070104 LBFGSLineSearch: 5 17:35:30 409.111314 0.065112 LBFGSLineSearch: 6 17:35:30 409.110779 0.069607 LBFGSLineSearch: 7 17:35:31 409.110487 0.057435 LBFGSLineSearch: 8 17:35:31 409.109958 0.070514 LBFGSLineSearch: 9 17:35:31 409.109369 0.050090 LBFGSLineSearch: 10 17:35:31 409.109037 0.034832 LBFGSLineSearch: 11 17:35:32 409.108732 0.040342 LBFGSLineSearch: 12 17:35:32 409.108666 0.035864 LBFGSLineSearch: 13 17:35:32 409.108518 0.077369 LBFGSLineSearch: 14 17:35:32 409.107992 0.014780 LBFGSLineSearch: 15 17:35:32 409.107965 0.015250 LBFGSLineSearch: 16 17:35:33 409.107939 0.013969 LBFGSLineSearch: 17 17:35:33 409.107850 0.009784 LBFGSLineSearch: 18 17:35:33 409.107840 0.001313 LBFGSLineSearch: 19 17:35:33 409.107840 0.000008 Minimization converged after 19 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:39 456.277548 3.369267 LBFGSLineSearch: 1 17:35:40 455.545770 0.340755 LBFGSLineSearch: 2 17:35:40 455.540517 0.359206 LBFGSLineSearch: 3 17:35:40 455.538498 0.162761 LBFGSLineSearch: 4 17:35:40 455.537891 0.075704 LBFGSLineSearch: 5 17:35:40 455.537623 0.063874 LBFGSLineSearch: 6 17:35:41 455.536988 0.083030 LBFGSLineSearch: 7 17:35:41 455.536683 0.106289 LBFGSLineSearch: 8 17:35:41 455.536209 0.055624 LBFGSLineSearch: 9 17:35:42 455.535593 0.069598 LBFGSLineSearch: 10 17:35:43 455.535064 0.042805 LBFGSLineSearch: 11 17:35:43 455.534762 0.063877 LBFGSLineSearch: 12 17:35:44 455.534520 0.050966 LBFGSLineSearch: 13 17:35:44 455.534204 0.052404 LBFGSLineSearch: 14 17:35:45 455.533168 0.090212 LBFGSLineSearch: 15 17:35:45 455.532977 0.022363 LBFGSLineSearch: 16 17:35:45 455.532944 0.024026 LBFGSLineSearch: 17 17:35:46 455.532647 0.003985 LBFGSLineSearch: 18 17:35:46 455.532645 0.000879 LBFGSLineSearch: 19 17:35:47 455.532644 0.000050 LBFGSLineSearch: 20 17:35:47 455.532644 0.000000 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:53 506.839316 3.664763 LBFGSLineSearch: 1 17:35:53 506.024562 0.368041 LBFGSLineSearch: 2 17:35:54 506.019446 0.404222 LBFGSLineSearch: 3 17:35:54 506.017065 0.197655 LBFGSLineSearch: 4 17:35:54 506.016264 0.082433 LBFGSLineSearch: 5 17:35:55 506.015984 0.072331 LBFGSLineSearch: 6 17:35:55 506.015047 0.079683 LBFGSLineSearch: 7 17:35:55 506.014604 0.060585 LBFGSLineSearch: 8 17:35:56 506.014368 0.115242 LBFGSLineSearch: 9 17:35:56 506.013792 0.060654 LBFGSLineSearch: 10 17:35:56 506.013163 0.056377 LBFGSLineSearch: 11 17:35:57 506.012772 0.058989 LBFGSLineSearch: 12 17:35:57 506.012454 0.070539 LBFGSLineSearch: 13 17:35:57 506.011502 0.067915 LBFGSLineSearch: 14 17:35:57 506.009519 0.136478 LBFGSLineSearch: 15 17:35:57 505.431117 2.748215 LBFGSLineSearch: 16 17:35:58 505.430791 2.767617 LBFGSLineSearch: 17 17:35:58 505.188815 1.828627 LBFGSLineSearch: 18 17:35:58 504.998778 0.809061 LBFGSLineSearch: 19 17:35:59 504.937758 0.644549 LBFGSLineSearch: 20 17:35:59 504.866541 0.405061 LBFGSLineSearch: 21 17:35:59 504.836143 0.200082 LBFGSLineSearch: 22 17:36:00 504.834586 0.087787 LBFGSLineSearch: 23 17:36:00 504.833994 0.075326 LBFGSLineSearch: 24 17:36:01 504.832138 0.273968 LBFGSLineSearch: 25 17:36:02 504.826468 0.218418 LBFGSLineSearch: 26 17:36:02 504.815264 0.523069 LBFGSLineSearch: 27 17:36:03 504.800093 0.303894 LBFGSLineSearch: 28 17:36:03 504.788107 0.172019 LBFGSLineSearch: 29 17:36:03 504.785715 0.053250 LBFGSLineSearch: 30 17:36:03 504.785089 0.034460 LBFGSLineSearch: 31 17:36:03 504.784989 0.011269 LBFGSLineSearch: 32 17:36:04 504.784977 0.001174 LBFGSLineSearch: 33 17:36:04 504.784977 0.000120 LBFGSLineSearch: 34 17:36:04 504.784977 0.000017 LBFGSLineSearch: 35 17:36:04 504.784977 0.000002 Minimization converged after 35 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:10 560.317827 3.966632 LBFGSLineSearch: 1 17:36:11 559.426899 0.287665 LBFGSLineSearch: 2 17:36:12 559.424237 0.152781 LBFGSLineSearch: 3 17:36:12 559.422741 0.135288 LBFGSLineSearch: 4 17:36:13 559.422349 0.098739 LBFGSLineSearch: 5 17:36:15 559.421845 0.089625 LBFGSLineSearch: 6 17:36:17 559.420649 0.112517 LBFGSLineSearch: 7 17:36:18 559.419899 0.098449 LBFGSLineSearch: 8 17:36:18 559.419048 0.108002 LBFGSLineSearch: 9 17:36:20 559.417840 0.106625 LBFGSLineSearch: 10 17:36:20 559.417309 0.067450 LBFGSLineSearch: 11 17:36:21 559.417009 0.061735 LBFGSLineSearch: 12 17:36:21 559.416055 0.047501 LBFGSLineSearch: 13 17:36:22 559.415290 0.073863 LBFGSLineSearch: 14 17:36:22 559.414306 0.080541 LBFGSLineSearch: 15 17:36:22 559.413090 0.065777 LBFGSLineSearch: 16 17:36:24 559.411716 0.030700 LBFGSLineSearch: 17 17:36:24 559.411558 0.012655 LBFGSLineSearch: 18 17:36:24 559.411543 0.014350 LBFGSLineSearch: 19 17:36:25 559.411524 0.014327 LBFGSLineSearch: 20 17:36:25 559.411466 0.002327 LBFGSLineSearch: 21 17:36:25 559.411464 0.000393 LBFGSLineSearch: 22 17:36:25 559.411464 0.000049 LBFGSLineSearch: 23 17:36:26 559.411464 0.000001 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:30 619.747310 4.309704 LBFGSLineSearch: 1 17:36:31 618.757334 0.331208 LBFGSLineSearch: 2 17:36:31 618.754542 0.170973 LBFGSLineSearch: 3 17:36:32 618.752783 0.206422 LBFGSLineSearch: 4 17:36:32 618.751982 0.133249 LBFGSLineSearch: 5 17:36:32 618.750833 0.118108 LBFGSLineSearch: 6 17:36:32 618.748951 0.131497 LBFGSLineSearch: 7 17:36:33 618.747628 0.146608 LBFGSLineSearch: 8 17:36:33 618.746289 0.153709 LBFGSLineSearch: 9 17:36:33 618.743904 0.185864 LBFGSLineSearch: 10 17:36:33 618.741852 0.128944 LBFGSLineSearch: 11 17:36:34 618.739181 0.205056 LBFGSLineSearch: 12 17:36:34 618.729626 0.153334 LBFGSLineSearch: 13 17:36:34 618.710663 0.628327 LBFGSLineSearch: 14 17:36:34 618.706129 0.935233 LBFGSLineSearch: 15 17:36:35 618.681234 1.347446 LBFGSLineSearch: 16 17:36:35 618.628061 1.604655 LBFGSLineSearch: 17 17:36:35 618.511452 1.570339 LBFGSLineSearch: 18 17:36:35 618.387386 1.020384 LBFGSLineSearch: 19 17:36:36 618.163436 1.193811 LBFGSLineSearch: 20 17:36:36 618.088102 1.378638 LBFGSLineSearch: 21 17:36:37 618.025740 0.411606 LBFGSLineSearch: 22 17:36:37 618.014293 0.207903 LBFGSLineSearch: 23 17:36:37 618.009027 0.159654 LBFGSLineSearch: 24 17:36:37 618.006546 0.141024 LBFGSLineSearch: 25 17:36:37 618.004329 0.128142 LBFGSLineSearch: 26 17:36:38 618.000239 0.200167 LBFGSLineSearch: 27 17:36:38 617.992608 0.208797 LBFGSLineSearch: 28 17:36:38 617.991326 0.047981 LBFGSLineSearch: 29 17:36:38 617.991189 0.009361 LBFGSLineSearch: 30 17:36:39 617.991185 0.001836 LBFGSLineSearch: 31 17:36:39 617.991185 0.000145 LBFGSLineSearch: 32 17:36:39 617.991185 0.000016 LBFGSLineSearch: 33 17:36:40 617.991185 0.000001 Minimization converged after 33 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:46 683.159977 4.654914 LBFGSLineSearch: 1 17:36:46 682.066199 0.340152 LBFGSLineSearch: 2 17:36:46 682.063316 0.331558 LBFGSLineSearch: 3 17:36:47 682.059984 0.136751 LBFGSLineSearch: 4 17:36:48 682.058546 0.161118 LBFGSLineSearch: 5 17:36:48 682.057555 0.131778 LBFGSLineSearch: 6 17:36:49 682.056721 0.090335 LBFGSLineSearch: 7 17:36:52 682.056144 0.087898 LBFGSLineSearch: 8 17:36:54 682.055602 0.079771 LBFGSLineSearch: 9 17:36:56 682.054881 0.074470 LBFGSLineSearch: 10 17:36:56 682.053886 0.060211 LBFGSLineSearch: 11 17:36:57 682.053377 0.055310 LBFGSLineSearch: 12 17:36:58 682.053083 0.066527 LBFGSLineSearch: 13 17:36:59 682.052616 0.053124 LBFGSLineSearch: 14 17:36:59 682.052029 0.012830 LBFGSLineSearch: 15 17:36:59 682.052017 0.002594 LBFGSLineSearch: 16 17:37:00 682.052017 0.002280 LBFGSLineSearch: 17 17:37:01 682.052016 0.003139 LBFGSLineSearch: 18 17:37:01 682.052013 0.000527 LBFGSLineSearch: 19 17:37:02 682.052013 0.000009 Minimization converged after 19 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:07 752.766242 5.051017 LBFGSLineSearch: 1 17:37:07 751.554411 0.382883 LBFGSLineSearch: 2 17:37:07 751.551054 0.376418 LBFGSLineSearch: 3 17:37:07 751.547296 0.140271 LBFGSLineSearch: 4 17:37:08 751.545937 0.165095 LBFGSLineSearch: 5 17:37:08 751.544973 0.153780 LBFGSLineSearch: 6 17:37:08 751.544137 0.093487 LBFGSLineSearch: 7 17:37:08 751.543495 0.095762 LBFGSLineSearch: 8 17:37:09 751.542852 0.118455 LBFGSLineSearch: 9 17:37:09 751.541842 0.102237 LBFGSLineSearch: 10 17:37:09 751.540657 0.068595 LBFGSLineSearch: 11 17:37:10 751.540207 0.060536 LBFGSLineSearch: 12 17:37:10 751.539962 0.064266 LBFGSLineSearch: 13 17:37:10 751.539606 0.055632 LBFGSLineSearch: 14 17:37:11 751.538899 0.025711 LBFGSLineSearch: 15 17:37:12 751.538854 0.007626 LBFGSLineSearch: 16 17:37:12 751.538848 0.005476 LBFGSLineSearch: 17 17:37:13 751.538843 0.005549 LBFGSLineSearch: 18 17:37:13 751.538833 0.005200 LBFGSLineSearch: 19 17:37:14 751.538832 0.001141 LBFGSLineSearch: 20 17:37:15 751.538832 0.000002 Minimization converged after 20 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:20 828.215660 5.476916 LBFGSLineSearch: 1 17:37:21 826.874646 0.432410 LBFGSLineSearch: 2 17:37:21 826.870757 0.424430 LBFGSLineSearch: 3 17:37:22 826.866609 0.141948 LBFGSLineSearch: 4 17:37:22 826.865277 0.165669 LBFGSLineSearch: 5 17:37:23 826.864413 0.190388 LBFGSLineSearch: 6 17:37:23 826.863494 0.094955 LBFGSLineSearch: 7 17:37:23 826.862732 0.098720 LBFGSLineSearch: 8 17:37:23 826.861852 0.154412 LBFGSLineSearch: 9 17:37:24 826.860686 0.174100 LBFGSLineSearch: 10 17:37:25 826.859479 0.083912 LBFGSLineSearch: 11 17:37:25 826.859074 0.063662 LBFGSLineSearch: 12 17:37:25 826.858768 0.061206 LBFGSLineSearch: 13 17:37:25 826.858034 0.044197 LBFGSLineSearch: 14 17:37:25 826.857835 0.016638 LBFGSLineSearch: 15 17:37:25 826.857813 0.008725 LBFGSLineSearch: 16 17:37:26 826.857807 0.009011 LBFGSLineSearch: 17 17:37:26 826.857784 0.003981 LBFGSLineSearch: 18 17:37:26 826.857780 0.000146 LBFGSLineSearch: 19 17:37:26 826.857780 0.000021 LBFGSLineSearch: 20 17:37:26 826.857780 0.000000 Minimization converged after 20 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:32 909.941367 5.934542 LBFGSLineSearch: 1 17:37:33 908.459126 0.488992 LBFGSLineSearch: 2 17:37:33 908.454634 0.475796 LBFGSLineSearch: 3 17:37:34 908.450124 0.143297 LBFGSLineSearch: 4 17:37:34 908.448771 0.163188 LBFGSLineSearch: 5 17:37:34 908.447817 0.137917 LBFGSLineSearch: 6 17:37:34 908.447026 0.105783 LBFGSLineSearch: 7 17:37:34 908.446006 0.098301 LBFGSLineSearch: 8 17:37:34 908.444596 0.157282 LBFGSLineSearch: 9 17:37:35 908.443685 0.296719 LBFGSLineSearch: 10 17:37:35 908.442712 0.105177 LBFGSLineSearch: 11 17:37:35 908.442307 0.060337 LBFGSLineSearch: 12 17:37:35 908.441985 0.056584 LBFGSLineSearch: 13 17:37:35 908.441394 0.048044 LBFGSLineSearch: 14 17:37:35 908.441259 0.014085 LBFGSLineSearch: 15 17:37:35 908.441249 0.010169 LBFGSLineSearch: 16 17:37:36 908.441240 0.013548 LBFGSLineSearch: 17 17:37:36 908.441210 0.001860 LBFGSLineSearch: 18 17:37:36 908.441209 0.000042 LBFGSLineSearch: 19 17:37:36 908.441209 0.000000 Minimization converged after 19 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:42 998.404261 6.425932 LBFGSLineSearch: 1 17:37:43 996.767764 0.552944 LBFGSLineSearch: 2 17:37:43 996.762593 0.530348 LBFGSLineSearch: 3 17:37:44 996.757737 0.145282 LBFGSLineSearch: 4 17:37:44 996.756348 0.160640 LBFGSLineSearch: 5 17:37:44 996.755481 0.127751 LBFGSLineSearch: 6 17:37:44 996.754625 0.117476 LBFGSLineSearch: 7 17:37:44 996.753446 0.130693 LBFGSLineSearch: 8 17:37:45 996.752265 0.203907 LBFGSLineSearch: 9 17:37:45 996.750737 0.143194 LBFGSLineSearch: 10 17:37:45 996.750075 0.067199 LBFGSLineSearch: 11 17:37:45 996.749866 0.059199 LBFGSLineSearch: 12 17:37:45 996.749582 0.066096 LBFGSLineSearch: 13 17:37:46 996.749126 0.052794 LBFGSLineSearch: 14 17:37:46 996.749033 0.012045 LBFGSLineSearch: 15 17:37:46 996.749024 0.009719 LBFGSLineSearch: 16 17:37:46 996.748996 0.004983 LBFGSLineSearch: 17 17:37:47 996.748989 0.000589 LBFGSLineSearch: 18 17:37:47 996.748989 0.000029 LBFGSLineSearch: 19 17:37:47 996.748989 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:53 1094.093950 6.953212 LBFGSLineSearch: 1 17:37:53 1092.614752 2.995755 LBFGSLineSearch: 2 17:37:53 1092.300344 1.724546 LBFGSLineSearch: 3 17:37:54 1092.279839 0.291302 LBFGSLineSearch: 4 17:37:55 1092.276966 0.201147 LBFGSLineSearch: 5 17:37:55 1092.276230 0.149520 LBFGSLineSearch: 6 17:37:56 1092.275311 0.165999 LBFGSLineSearch: 7 17:37:56 1092.274345 0.153971 LBFGSLineSearch: 8 17:37:57 1092.273132 0.178307 LBFGSLineSearch: 9 17:37:57 1092.271261 0.110878 LBFGSLineSearch: 10 17:37:58 1092.270434 0.060938 LBFGSLineSearch: 11 17:37:58 1092.270248 0.061207 LBFGSLineSearch: 12 17:37:58 1092.270103 0.052680 LBFGSLineSearch: 13 17:37:59 1092.269713 0.036304 LBFGSLineSearch: 14 17:37:59 1092.269579 0.019923 LBFGSLineSearch: 15 17:37:59 1092.269565 0.011497 LBFGSLineSearch: 16 17:38:01 1092.269554 0.010904 LBFGSLineSearch: 17 17:38:04 1092.269533 0.001075 LBFGSLineSearch: 18 17:38:05 1092.269533 0.000055 LBFGSLineSearch: 19 17:38:05 1092.269533 0.000002 Minimization converged after 19 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:11 1197.529598 7.518577 LBFGSLineSearch: 1 17:38:12 1195.842861 2.977872 LBFGSLineSearch: 2 17:38:12 1195.560317 2.153977 LBFGSLineSearch: 3 17:38:13 1195.532822 0.388055 LBFGSLineSearch: 4 17:38:13 1195.528571 0.309201 LBFGSLineSearch: 5 17:38:14 1195.527372 0.173240 LBFGSLineSearch: 6 17:38:14 1195.526433 0.179281 LBFGSLineSearch: 7 17:38:14 1195.525659 0.161866 LBFGSLineSearch: 8 17:38:14 1195.524725 0.185018 LBFGSLineSearch: 9 17:38:14 1195.523547 0.154691 LBFGSLineSearch: 10 17:38:15 1195.522120 0.182511 LBFGSLineSearch: 11 17:38:16 1195.521293 0.090582 LBFGSLineSearch: 12 17:38:17 1195.521123 0.045248 LBFGSLineSearch: 13 17:38:17 1195.521000 0.046630 LBFGSLineSearch: 14 17:38:18 1195.520803 0.043661 LBFGSLineSearch: 15 17:38:19 1195.520701 0.011630 LBFGSLineSearch: 16 17:38:19 1195.520688 0.009153 LBFGSLineSearch: 17 17:38:20 1195.520681 0.009273 LBFGSLineSearch: 18 17:38:20 1195.520667 0.003409 LBFGSLineSearch: 19 17:38:20 1195.520666 0.000565 LBFGSLineSearch: 20 17:38:20 1195.520666 0.000203 LBFGSLineSearch: 21 17:38:21 1195.520666 0.000002 Minimization converged after 21 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:26 1309.260620 8.124284 LBFGSLineSearch: 1 17:38:26 1307.343871 2.918841 LBFGSLineSearch: 2 17:38:27 1307.103334 2.692368 LBFGSLineSearch: 3 17:38:27 1307.066917 0.611110 LBFGSLineSearch: 4 17:38:27 1307.058213 0.280360 LBFGSLineSearch: 5 17:38:29 1307.056772 0.163209 LBFGSLineSearch: 6 17:38:30 1307.055906 0.168014 LBFGSLineSearch: 7 17:38:30 1307.055420 0.198150 LBFGSLineSearch: 8 17:38:30 1307.052999 0.226287 LBFGSLineSearch: 9 17:38:31 1307.051871 0.197611 LBFGSLineSearch: 10 17:38:32 1307.051244 0.131466 LBFGSLineSearch: 11 17:38:33 1307.050844 0.047172 LBFGSLineSearch: 12 17:38:33 1307.050743 0.042920 LBFGSLineSearch: 13 17:38:34 1307.050676 0.037111 LBFGSLineSearch: 14 17:38:34 1307.050489 0.046060 LBFGSLineSearch: 15 17:38:35 1307.050433 0.016335 LBFGSLineSearch: 16 17:38:35 1307.050422 0.008798 LBFGSLineSearch: 17 17:38:36 1307.050415 0.010323 LBFGSLineSearch: 18 17:38:36 1307.050407 0.002657 LBFGSLineSearch: 19 17:38:36 1307.050407 0.000258 LBFGSLineSearch: 20 17:38:36 1307.050407 0.000013 LBFGSLineSearch: 21 17:38:37 1307.050407 0.000000 Minimization converged after 21 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:42 1429.867459 8.772647 LBFGSLineSearch: 1 17:38:43 1427.697327 2.810799 LBFGSLineSearch: 2 17:38:44 1427.510441 3.367241 LBFGSLineSearch: 3 17:38:45 1427.463195 0.974442 LBFGSLineSearch: 4 17:38:46 1427.447405 0.435645 LBFGSLineSearch: 5 17:38:47 1427.444595 0.205587 LBFGSLineSearch: 6 17:38:49 1427.443344 0.160836 LBFGSLineSearch: 7 17:38:51 1427.442744 0.183703 LBFGSLineSearch: 8 17:38:51 1427.439988 0.263827 LBFGSLineSearch: 9 17:38:52 1427.438380 0.127001 LBFGSLineSearch: 10 17:38:53 1427.438152 0.068939 LBFGSLineSearch: 11 17:38:53 1427.438036 0.039359 LBFGSLineSearch: 12 17:38:54 1427.437987 0.033868 LBFGSLineSearch: 13 17:38:54 1427.437843 0.030450 LBFGSLineSearch: 14 17:38:55 1427.437771 0.013072 LBFGSLineSearch: 15 17:38:55 1427.437750 0.008743 LBFGSLineSearch: 16 17:38:56 1427.437743 0.005886 LBFGSLineSearch: 17 17:38:56 1427.437739 0.001862 LBFGSLineSearch: 18 17:38:56 1427.437738 0.000200 LBFGSLineSearch: 19 17:38:56 1427.437738 0.000008 Minimization converged after 19 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:02 1559.962307 9.466049 LBFGSLineSearch: 1 17:39:03 1557.514914 2.644959 LBFGSLineSearch: 2 17:39:04 1557.356163 2.566480 LBFGSLineSearch: 3 17:39:04 1557.307521 0.547087 LBFGSLineSearch: 4 17:39:05 1557.301056 0.349971 LBFGSLineSearch: 5 17:39:05 1557.299838 0.187014 LBFGSLineSearch: 6 17:39:05 1557.299311 0.171373 LBFGSLineSearch: 7 17:39:05 1557.297205 0.137336 LBFGSLineSearch: 8 17:39:06 1557.294796 0.328572 LBFGSLineSearch: 9 17:39:06 1557.293883 0.110521 LBFGSLineSearch: 10 17:39:07 1557.293649 0.041947 LBFGSLineSearch: 11 17:39:07 1557.293580 0.034535 LBFGSLineSearch: 12 17:39:09 1557.293540 0.034683 LBFGSLineSearch: 13 17:39:12 1557.293385 0.013209 LBFGSLineSearch: 14 17:39:13 1557.293374 0.007924 LBFGSLineSearch: 15 17:39:14 1557.293370 0.006693 LBFGSLineSearch: 16 17:39:16 1557.293365 0.002265 LBFGSLineSearch: 17 17:39:17 1557.293364 0.000277 LBFGSLineSearch: 18 17:39:17 1557.293364 0.000002 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:23 1700.189963 10.206900 LBFGSLineSearch: 1 17:39:24 1697.441454 2.411553 LBFGSLineSearch: 2 17:39:25 1697.329488 2.494095 LBFGSLineSearch: 3 17:39:25 1697.278743 0.674206 LBFGSLineSearch: 4 17:39:25 1697.269514 0.468846 LBFGSLineSearch: 5 17:39:26 1697.267617 0.206586 LBFGSLineSearch: 6 17:39:26 1697.267068 0.194276 LBFGSLineSearch: 7 17:39:27 1697.265132 0.166308 LBFGSLineSearch: 8 17:39:27 1697.263241 0.462568 LBFGSLineSearch: 9 17:39:28 1697.261245 0.145700 LBFGSLineSearch: 10 17:39:28 1697.260834 0.057624 LBFGSLineSearch: 11 17:39:28 1697.260743 0.038822 LBFGSLineSearch: 12 17:39:28 1697.260712 0.029013 LBFGSLineSearch: 13 17:39:29 1697.260628 0.017855 LBFGSLineSearch: 14 17:39:29 1697.260599 0.005684 LBFGSLineSearch: 15 17:39:29 1697.260597 0.006238 LBFGSLineSearch: 16 17:39:29 1697.260594 0.004830 LBFGSLineSearch: 17 17:39:29 1697.260593 0.000963 LBFGSLineSearch: 18 17:39:29 1697.260593 0.000010 LBFGSLineSearch: 19 17:39:30 1697.260593 0.000000 Minimization converged after 19 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:35 1851.228696 10.997722 LBFGSLineSearch: 1 17:39:36 1848.155941 2.099847 LBFGSLineSearch: 2 17:39:36 1848.083692 2.187558 LBFGSLineSearch: 3 17:39:36 1848.038349 0.737874 LBFGSLineSearch: 4 17:39:37 1848.026786 0.600378 LBFGSLineSearch: 5 17:39:37 1848.023910 0.229989 LBFGSLineSearch: 6 17:39:38 1848.023241 0.220369 LBFGSLineSearch: 7 17:39:38 1848.021364 0.194071 LBFGSLineSearch: 8 17:39:39 1848.019352 0.306293 LBFGSLineSearch: 9 17:39:39 1848.016576 0.138913 LBFGSLineSearch: 10 17:39:40 1848.016123 0.043485 LBFGSLineSearch: 11 17:39:41 1848.016064 0.034453 LBFGSLineSearch: 12 17:39:41 1848.016044 0.021603 LBFGSLineSearch: 13 17:39:41 1848.016008 0.018906 LBFGSLineSearch: 14 17:39:41 1848.015986 0.009101 LBFGSLineSearch: 15 17:39:42 1848.015981 0.004501 LBFGSLineSearch: 16 17:39:43 1848.015980 0.003637 LBFGSLineSearch: 17 17:39:43 1848.015978 0.000123 LBFGSLineSearch: 18 17:39:44 1848.015978 0.000000 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:51 2013.790544 11.841041 LBFGSLineSearch: 1 17:39:52 2010.372042 1.698581 LBFGSLineSearch: 2 17:39:53 2010.327763 1.676142 LBFGSLineSearch: 3 17:39:54 2010.294479 0.681094 LBFGSLineSearch: 4 17:39:56 2010.283029 0.701190 LBFGSLineSearch: 5 17:39:56 2010.279025 0.258339 LBFGSLineSearch: 6 17:39:57 2010.278119 0.249753 LBFGSLineSearch: 7 17:39:57 2010.276286 0.232978 LBFGSLineSearch: 8 17:39:58 2010.274397 0.364282 LBFGSLineSearch: 9 17:39:58 2010.270723 0.200398 LBFGSLineSearch: 10 17:39:58 2010.269856 0.071604 LBFGSLineSearch: 11 17:39:59 2010.269728 0.014642 LBFGSLineSearch: 12 17:39:59 2010.269725 0.011895 LBFGSLineSearch: 13 17:39:59 2010.269719 0.011063 LBFGSLineSearch: 14 17:39:59 2010.269707 0.015420 LBFGSLineSearch: 15 17:40:00 2010.269702 0.005557 LBFGSLineSearch: 16 17:40:00 2010.269701 0.002237 LBFGSLineSearch: 17 17:40:00 2010.269701 0.001700 LBFGSLineSearch: 18 17:40:01 2010.269701 0.000530 LBFGSLineSearch: 19 17:40:01 2010.269701 0.000000 Minimization converged after 19 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:06 2188.621448 12.739411 LBFGSLineSearch: 1 17:40:07 2184.838465 1.497006 LBFGSLineSearch: 2 17:40:07 2184.809692 1.441160 LBFGSLineSearch: 3 17:40:08 2184.789036 0.620870 LBFGSLineSearch: 4 17:40:08 2184.781536 0.665788 LBFGSLineSearch: 5 17:40:09 2184.777046 0.293290 LBFGSLineSearch: 6 17:40:10 2184.775733 0.284801 LBFGSLineSearch: 7 17:40:10 2184.773983 0.320132 LBFGSLineSearch: 8 17:40:11 2184.771813 0.441916 LBFGSLineSearch: 9 17:40:12 2184.767503 0.249244 LBFGSLineSearch: 10 17:40:13 2184.766109 0.130221 LBFGSLineSearch: 11 17:40:13 2184.765740 0.090752 LBFGSLineSearch: 12 17:40:14 2184.765649 0.028415 LBFGSLineSearch: 13 17:40:14 2184.765633 0.008766 LBFGSLineSearch: 14 17:40:16 2184.765631 0.002894 LBFGSLineSearch: 15 17:40:18 2184.765630 0.003023 LBFGSLineSearch: 16 17:40:21 2184.765630 0.001852 LBFGSLineSearch: 17 17:40:23 2184.765630 0.000409 LBFGSLineSearch: 18 17:40:25 2184.765630 0.000183 LBFGSLineSearch: 19 17:40:27 2184.765630 0.000013 LBFGSLineSearch: 20 17:40:29 2184.765630 0.000000 Minimization converged after 20 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:36 2376.500813 13.695370 Failed to get energy or crystal structure at pressure 8191.999999999995 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:37 -72.639043 0.000518 LBFGSLineSearch: 1 17:40:38 -72.639043 0.000229 LBFGSLineSearch: 2 17:40:38 -72.639043 0.000147 LBFGSLineSearch: 3 17:40:39 -72.639043 0.000063 LBFGSLineSearch: 4 17:40:39 -72.639043 0.000058 LBFGSLineSearch: 5 17:40:39 -72.639043 0.000018 LBFGSLineSearch: 6 17:40:40 -72.639043 0.000012 LBFGSLineSearch: 7 17:40:40 -72.639043 0.000005 Minimization converged after 7 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:46 -73.051170 0.029438 LBFGSLineSearch: 1 17:40:46 -73.051498 0.010760 LBFGSLineSearch: 2 17:40:47 -73.051533 0.007562 LBFGSLineSearch: 3 17:40:47 -73.051555 0.009922 LBFGSLineSearch: 4 17:40:47 -73.051577 0.004270 LBFGSLineSearch: 5 17:40:47 -73.051584 0.002405 LBFGSLineSearch: 6 17:40:48 -73.051585 0.002347 LBFGSLineSearch: 7 17:40:48 -73.051586 0.002219 LBFGSLineSearch: 8 17:40:50 -73.051587 0.002217 LBFGSLineSearch: 9 17:40:50 -73.051589 0.001390 LBFGSLineSearch: 10 17:40:51 -73.051589 0.001279 LBFGSLineSearch: 11 17:40:52 -73.051590 0.001369 LBFGSLineSearch: 12 17:40:52 -73.051590 0.000914 LBFGSLineSearch: 13 17:40:53 -73.051591 0.000305 LBFGSLineSearch: 14 17:40:53 -73.051591 0.000270 LBFGSLineSearch: 15 17:40:54 -73.051591 0.000243 LBFGSLineSearch: 16 17:40:54 -73.051591 0.000119 LBFGSLineSearch: 17 17:40:55 -73.051591 0.000122 LBFGSLineSearch: 18 17:40:56 -73.051591 0.000095 LBFGSLineSearch: 19 17:40:57 -73.051591 0.000074 LBFGSLineSearch: 20 17:40:58 -73.051591 0.000061 LBFGSLineSearch: 21 17:40:59 -73.051591 0.000061 LBFGSLineSearch: 22 17:40:59 -73.051591 0.000060 LBFGSLineSearch: 23 17:40:59 -73.051591 0.000033 LBFGSLineSearch: 24 17:41:00 -73.051591 0.000009 Minimization converged after 24 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:06 -73.464561 0.029501 LBFGSLineSearch: 1 17:41:06 -73.464892 0.010826 LBFGSLineSearch: 2 17:41:07 -73.464927 0.007566 LBFGSLineSearch: 3 17:41:07 -73.464950 0.009914 LBFGSLineSearch: 4 17:41:07 -73.464972 0.004233 LBFGSLineSearch: 5 17:41:09 -73.464979 0.002358 LBFGSLineSearch: 6 17:41:09 -73.464980 0.002293 LBFGSLineSearch: 7 17:41:10 -73.464981 0.002161 LBFGSLineSearch: 8 17:41:10 -73.464982 0.002085 LBFGSLineSearch: 9 17:41:10 -73.464983 0.001386 LBFGSLineSearch: 10 17:41:11 -73.464984 0.001234 LBFGSLineSearch: 11 17:41:11 -73.464984 0.001365 LBFGSLineSearch: 12 17:41:12 -73.464985 0.000902 LBFGSLineSearch: 13 17:41:13 -73.464985 0.000292 LBFGSLineSearch: 14 17:41:13 -73.464985 0.000255 LBFGSLineSearch: 15 17:41:13 -73.464985 0.000213 LBFGSLineSearch: 16 17:41:14 -73.464985 0.000102 LBFGSLineSearch: 17 17:41:16 -73.464985 0.000097 LBFGSLineSearch: 18 17:41:16 -73.464985 0.000066 LBFGSLineSearch: 19 17:41:16 -73.464985 0.000058 LBFGSLineSearch: 20 17:41:16 -73.464985 0.000056 LBFGSLineSearch: 21 17:41:17 -73.464985 0.000029 LBFGSLineSearch: 22 17:41:17 -73.464985 0.000039 LBFGSLineSearch: 23 17:41:18 -73.464985 0.000025 LBFGSLineSearch: 24 17:41:20 -73.464985 0.000007 Minimization converged after 24 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:26 -73.878806 0.029561 LBFGSLineSearch: 1 17:41:26 -73.879140 0.010899 LBFGSLineSearch: 2 17:41:27 -73.879176 0.007567 LBFGSLineSearch: 3 17:41:30 -73.879199 0.009907 LBFGSLineSearch: 4 17:41:32 -73.879221 0.004200 LBFGSLineSearch: 5 17:41:34 -73.879228 0.002313 LBFGSLineSearch: 6 17:41:34 -73.879229 0.002239 LBFGSLineSearch: 7 17:41:35 -73.879230 0.002103 LBFGSLineSearch: 8 17:41:37 -73.879231 0.001963 LBFGSLineSearch: 9 17:41:38 -73.879232 0.001380 LBFGSLineSearch: 10 17:41:40 -73.879233 0.001185 LBFGSLineSearch: 11 17:41:43 -73.879233 0.001358 LBFGSLineSearch: 12 17:41:44 -73.879234 0.000888 LBFGSLineSearch: 13 17:41:45 -73.879234 0.000281 LBFGSLineSearch: 14 17:41:45 -73.879234 0.000241 LBFGSLineSearch: 15 17:41:46 -73.879234 0.000186 LBFGSLineSearch: 16 17:41:47 -73.879234 0.000090 LBFGSLineSearch: 17 17:41:48 -73.879234 0.000086 LBFGSLineSearch: 18 17:41:49 -73.879234 0.000055 LBFGSLineSearch: 19 17:41:49 -73.879234 0.000050 LBFGSLineSearch: 20 17:41:50 -73.879234 0.000048 LBFGSLineSearch: 21 17:41:50 -73.879234 0.000023 LBFGSLineSearch: 22 17:41:51 -73.879234 0.000033 LBFGSLineSearch: 23 17:41:51 -73.879234 0.000004 Minimization converged after 23 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:56 -74.293913 0.029621 LBFGSLineSearch: 1 17:41:56 -74.294251 0.010972 LBFGSLineSearch: 2 17:41:56 -74.294288 0.007568 LBFGSLineSearch: 3 17:41:57 -74.294311 0.009904 LBFGSLineSearch: 4 17:41:58 -74.294333 0.004169 LBFGSLineSearch: 5 17:41:59 -74.294340 0.002270 LBFGSLineSearch: 6 17:42:00 -74.294341 0.002187 LBFGSLineSearch: 7 17:42:00 -74.294341 0.002049 LBFGSLineSearch: 8 17:42:01 -74.294342 0.001884 LBFGSLineSearch: 9 17:42:01 -74.294344 0.001374 LBFGSLineSearch: 10 17:42:02 -74.294344 0.001135 LBFGSLineSearch: 11 17:42:03 -74.294345 0.001345 LBFGSLineSearch: 12 17:42:05 -74.294345 0.000875 LBFGSLineSearch: 13 17:42:05 -74.294345 0.000272 LBFGSLineSearch: 14 17:42:06 -74.294345 0.000229 LBFGSLineSearch: 15 17:42:07 -74.294345 0.000161 LBFGSLineSearch: 16 17:42:09 -74.294345 0.000079 LBFGSLineSearch: 17 17:42:10 -74.294345 0.000072 LBFGSLineSearch: 18 17:42:10 -74.294345 0.000078 LBFGSLineSearch: 19 17:42:11 -74.294345 0.000045 LBFGSLineSearch: 20 17:42:12 -74.294345 0.000040 LBFGSLineSearch: 21 17:42:14 -74.294345 0.000027 LBFGSLineSearch: 22 17:42:16 -74.294345 0.000030 LBFGSLineSearch: 23 17:42:19 -74.294345 0.000001 Minimization converged after 23 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:26 -74.709891 0.029682 LBFGSLineSearch: 1 17:42:27 -74.710233 0.011047 LBFGSLineSearch: 2 17:42:27 -74.710271 0.007568 LBFGSLineSearch: 3 17:42:27 -74.710294 0.009903 LBFGSLineSearch: 4 17:42:28 -74.710316 0.004139 LBFGSLineSearch: 5 17:42:28 -74.710323 0.002229 LBFGSLineSearch: 6 17:42:28 -74.710324 0.002139 LBFGSLineSearch: 7 17:42:29 -74.710324 0.001997 LBFGSLineSearch: 8 17:42:29 -74.710325 0.001853 LBFGSLineSearch: 9 17:42:31 -74.710326 0.001368 LBFGSLineSearch: 10 17:42:33 -74.710327 0.001085 LBFGSLineSearch: 11 17:42:35 -74.710327 0.001327 LBFGSLineSearch: 12 17:42:36 -74.710328 0.000863 LBFGSLineSearch: 13 17:42:37 -74.710328 0.000263 LBFGSLineSearch: 14 17:42:38 -74.710328 0.000219 LBFGSLineSearch: 15 17:42:39 -74.710328 0.000143 LBFGSLineSearch: 16 17:42:41 -74.710328 0.000064 LBFGSLineSearch: 17 17:42:44 -74.710328 0.000067 LBFGSLineSearch: 18 17:42:45 -74.710328 0.000066 LBFGSLineSearch: 19 17:42:48 -74.710328 0.000037 LBFGSLineSearch: 20 17:42:50 -74.710328 0.000035 LBFGSLineSearch: 21 17:42:52 -74.710328 0.000033 LBFGSLineSearch: 22 17:42:54 -74.710328 0.000027 LBFGSLineSearch: 23 17:42:54 -74.710328 0.000001 Minimization converged after 23 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:59 -75.126749 0.029744 LBFGSLineSearch: 1 17:43:02 -75.127095 0.011121 LBFGSLineSearch: 2 17:43:03 -75.127133 0.007567 LBFGSLineSearch: 3 17:43:03 -75.127156 0.009903 LBFGSLineSearch: 4 17:43:04 -75.127179 0.004110 LBFGSLineSearch: 5 17:43:05 -75.127186 0.002191 LBFGSLineSearch: 6 17:43:05 -75.127186 0.002093 LBFGSLineSearch: 7 17:43:07 -75.127187 0.001949 LBFGSLineSearch: 8 17:43:09 -75.127188 0.001823 LBFGSLineSearch: 9 17:43:11 -75.127189 0.001361 LBFGSLineSearch: 10 17:43:14 -75.127189 0.001035 LBFGSLineSearch: 11 17:43:17 -75.127190 0.001306 LBFGSLineSearch: 12 17:43:17 -75.127190 0.000852 LBFGSLineSearch: 13 17:43:18 -75.127191 0.000256 LBFGSLineSearch: 14 17:43:18 -75.127191 0.000210 LBFGSLineSearch: 15 17:43:18 -75.127191 0.000130 LBFGSLineSearch: 16 17:43:19 -75.127191 0.000065 LBFGSLineSearch: 17 17:43:19 -75.127191 0.000058 LBFGSLineSearch: 18 17:43:19 -75.127191 0.000043 LBFGSLineSearch: 19 17:43:20 -75.127191 0.000044 LBFGSLineSearch: 20 17:43:20 -75.127191 0.000025 LBFGSLineSearch: 21 17:43:20 -75.127191 0.000032 LBFGSLineSearch: 22 17:43:20 -75.127191 0.000015 LBFGSLineSearch: 23 17:43:21 -75.127191 0.000004 Minimization converged after 23 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:26 -75.544496 0.029809 LBFGSLineSearch: 1 17:43:26 -75.544846 0.011196 LBFGSLineSearch: 2 17:43:26 -75.544885 0.007563 LBFGSLineSearch: 3 17:43:26 -75.544908 0.009903 LBFGSLineSearch: 4 17:43:27 -75.544931 0.004083 LBFGSLineSearch: 5 17:43:27 -75.544938 0.002155 LBFGSLineSearch: 6 17:43:27 -75.544938 0.002049 LBFGSLineSearch: 7 17:43:27 -75.544939 0.001903 LBFGSLineSearch: 8 17:43:27 -75.544940 0.001794 LBFGSLineSearch: 9 17:43:28 -75.544941 0.001353 LBFGSLineSearch: 10 17:43:28 -75.544941 0.000986 LBFGSLineSearch: 11 17:43:28 -75.544942 0.001281 LBFGSLineSearch: 12 17:43:29 -75.544942 0.000840 LBFGSLineSearch: 13 17:43:29 -75.544942 0.000249 LBFGSLineSearch: 14 17:43:30 -75.544942 0.000202 LBFGSLineSearch: 15 17:43:32 -75.544942 0.000119 LBFGSLineSearch: 16 17:43:34 -75.544942 0.000050 LBFGSLineSearch: 17 17:43:35 -75.544942 0.000054 LBFGSLineSearch: 18 17:43:35 -75.544942 0.000038 LBFGSLineSearch: 19 17:43:36 -75.544942 0.000031 LBFGSLineSearch: 20 17:43:38 -75.544942 0.000023 LBFGSLineSearch: 21 17:43:40 -75.544942 0.000032 LBFGSLineSearch: 22 17:43:40 -75.544942 0.000012 LBFGSLineSearch: 23 17:43:41 -75.544942 0.000006 Minimization converged after 23 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:47 -75.963142 0.029875 LBFGSLineSearch: 1 17:43:48 -75.963496 0.011273 LBFGSLineSearch: 2 17:43:48 -75.963536 0.007561 LBFGSLineSearch: 3 17:43:49 -75.963559 0.009907 LBFGSLineSearch: 4 17:43:49 -75.963582 0.004057 LBFGSLineSearch: 5 17:43:50 -75.963589 0.002121 LBFGSLineSearch: 6 17:43:51 -75.963589 0.002008 LBFGSLineSearch: 7 17:43:52 -75.963590 0.001859 LBFGSLineSearch: 8 17:43:52 -75.963591 0.001766 LBFGSLineSearch: 9 17:43:53 -75.963592 0.001344 LBFGSLineSearch: 10 17:43:53 -75.963592 0.000977 LBFGSLineSearch: 11 17:43:53 -75.963592 0.001253 LBFGSLineSearch: 12 17:43:54 -75.963593 0.000829 LBFGSLineSearch: 13 17:43:55 -75.963593 0.000243 LBFGSLineSearch: 14 17:43:55 -75.963593 0.000195 LBFGSLineSearch: 15 17:43:55 -75.963593 0.000109 LBFGSLineSearch: 16 17:43:56 -75.963593 0.000047 LBFGSLineSearch: 17 17:43:56 -75.963593 0.000051 LBFGSLineSearch: 18 17:43:57 -75.963593 0.000039 LBFGSLineSearch: 19 17:43:57 -75.963593 0.000022 LBFGSLineSearch: 20 17:43:57 -75.963593 0.000027 LBFGSLineSearch: 21 17:43:58 -75.963593 0.000026 LBFGSLineSearch: 22 17:43:58 -75.963593 0.000008 Minimization converged after 22 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:04 -76.382697 0.029941 LBFGSLineSearch: 1 17:44:05 -76.383055 0.011350 LBFGSLineSearch: 2 17:44:05 -76.383095 0.007559 LBFGSLineSearch: 3 17:44:05 -76.383119 0.009911 LBFGSLineSearch: 4 17:44:06 -76.383141 0.004032 LBFGSLineSearch: 5 17:44:06 -76.383148 0.002090 LBFGSLineSearch: 6 17:44:07 -76.383149 0.001969 LBFGSLineSearch: 7 17:44:08 -76.383150 0.001818 LBFGSLineSearch: 8 17:44:09 -76.383150 0.001738 LBFGSLineSearch: 9 17:44:10 -76.383151 0.001334 LBFGSLineSearch: 10 17:44:11 -76.383151 0.000979 LBFGSLineSearch: 11 17:44:13 -76.383152 0.001224 LBFGSLineSearch: 12 17:44:16 -76.383152 0.000817 LBFGSLineSearch: 13 17:44:17 -76.383153 0.000237 LBFGSLineSearch: 14 17:44:17 -76.383153 0.000189 LBFGSLineSearch: 15 17:44:18 -76.383153 0.000101 LBFGSLineSearch: 16 17:44:18 -76.383153 0.000046 LBFGSLineSearch: 17 17:44:18 -76.383153 0.000050 LBFGSLineSearch: 18 17:44:18 -76.383153 0.000042 LBFGSLineSearch: 19 17:44:19 -76.383153 0.000025 LBFGSLineSearch: 20 17:44:19 -76.383153 0.000030 LBFGSLineSearch: 21 17:44:19 -76.383153 0.000015 LBFGSLineSearch: 22 17:44:20 -76.383153 0.000014 LBFGSLineSearch: 23 17:44:20 -76.383153 0.000008 Minimization converged after 23 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:26 -76.803170 0.030007 LBFGSLineSearch: 1 17:44:26 -76.803533 0.011427 LBFGSLineSearch: 2 17:44:27 -76.803573 0.007555 LBFGSLineSearch: 3 17:44:27 -76.803597 0.009917 LBFGSLineSearch: 4 17:44:28 -76.803620 0.004010 LBFGSLineSearch: 5 17:44:28 -76.803627 0.002060 LBFGSLineSearch: 6 17:44:29 -76.803628 0.001932 LBFGSLineSearch: 7 17:44:30 -76.803628 0.001779 LBFGSLineSearch: 8 17:44:31 -76.803629 0.001710 LBFGSLineSearch: 9 17:44:31 -76.803630 0.001323 LBFGSLineSearch: 10 17:44:32 -76.803630 0.000981 LBFGSLineSearch: 11 17:44:33 -76.803630 0.001194 LBFGSLineSearch: 12 17:44:36 -76.803631 0.000805 LBFGSLineSearch: 13 17:44:39 -76.803631 0.000237 LBFGSLineSearch: 14 17:44:41 -76.803631 0.000183 LBFGSLineSearch: 15 17:44:44 -76.803631 0.000094 LBFGSLineSearch: 16 17:44:46 -76.803631 0.000047 LBFGSLineSearch: 17 17:44:49 -76.803631 0.000051 LBFGSLineSearch: 18 17:44:50 -76.803631 0.000046 LBFGSLineSearch: 19 17:44:51 -76.803631 0.000033 LBFGSLineSearch: 20 17:44:51 -76.803631 0.000009 Minimization converged after 20 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:58 -77.224573 0.030075 LBFGSLineSearch: 1 17:45:01 -77.224940 0.011508 LBFGSLineSearch: 2 17:45:02 -77.224981 0.007557 LBFGSLineSearch: 3 17:45:02 -77.225005 0.009929 LBFGSLineSearch: 4 17:45:03 -77.225028 0.003986 LBFGSLineSearch: 5 17:45:04 -77.225035 0.002032 LBFGSLineSearch: 6 17:45:05 -77.225036 0.001897 LBFGSLineSearch: 7 17:45:05 -77.225036 0.001742 LBFGSLineSearch: 8 17:45:05 -77.225037 0.001685 LBFGSLineSearch: 9 17:45:06 -77.225038 0.001313 LBFGSLineSearch: 10 17:45:06 -77.225038 0.000982 LBFGSLineSearch: 11 17:45:06 -77.225038 0.001163 LBFGSLineSearch: 12 17:45:07 -77.225039 0.000791 LBFGSLineSearch: 13 17:45:07 -77.225039 0.000249 LBFGSLineSearch: 14 17:45:07 -77.225039 0.000178 LBFGSLineSearch: 15 17:45:08 -77.225039 0.000089 LBFGSLineSearch: 16 17:45:08 -77.225039 0.000050 LBFGSLineSearch: 17 17:45:08 -77.225039 0.000055 LBFGSLineSearch: 18 17:45:09 -77.225039 0.000050 LBFGSLineSearch: 19 17:45:09 -77.225039 0.000027 LBFGSLineSearch: 20 17:45:10 -77.225039 0.000048 LBFGSLineSearch: 21 17:45:10 -77.225039 0.000023 LBFGSLineSearch: 22 17:45:11 -77.225039 0.000005 Minimization converged after 22 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:45:16 -77.646916 0.030139 LBFGSLineSearch: 1 17:45:17 -77.647287 0.011586 LBFGSLineSearch: 2 17:45:17 -77.647330 0.007546 LBFGSLineSearch: 3 17:45:17 -77.647353 0.009932 LBFGSLineSearch: 4 17:45:18 -77.647377 0.003968 LBFGSLineSearch: 5 17:45:18 -77.647384 0.002006 LBFGSLineSearch: 6 17:45:18 -77.647385 0.001864 LBFGSLineSearch: 7 17:45:18 -77.647385 0.001707 LBFGSLineSearch: 8 17:45:19 -77.647386 0.001659 LBFGSLineSearch: 9 17:45:19 -77.647387 0.001301 LBFGSLineSearch: 10 17:45:19 -77.647387 0.000981 LBFGSLineSearch: 11 17:45:20 -77.647387 0.001133 LBFGSLineSearch: 12 17:45:20 -77.647388 0.000780 LBFGSLineSearch: 13 17:45:21 -77.647388 0.000261 LBFGSLineSearch: 14 17:45:22 -77.647388 0.000174 LBFGSLineSearch: 15 17:45:23 -77.647388 0.000085 LBFGSLineSearch: 16 17:45:24 -77.647388 0.000054 LBFGSLineSearch: 17 17:45:25 -77.647388 0.000059 LBFGSLineSearch: 18 17:45:26 -77.647388 0.000080 LBFGSLineSearch: 19 17:45:26 -77.647388 0.000052 LBFGSLineSearch: 20 17:45:27 -77.647388 0.000036 LBFGSLineSearch: 21 17:45:27 -77.647388 0.000024 LBFGSLineSearch: 22 17:45:28 -77.647388 0.000035 LBFGSLineSearch: 23 17:45:29 -77.647388 0.000003 Minimization converged after 23 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:45:34 -78.070211 0.030204 LBFGSLineSearch: 1 17:45:35 -78.070587 0.011667 LBFGSLineSearch: 2 17:45:35 -78.070630 0.007542 LBFGSLineSearch: 3 17:45:36 -78.070654 0.009943 LBFGSLineSearch: 4 17:45:36 -78.070678 0.003949 LBFGSLineSearch: 5 17:45:36 -78.070685 0.001983 LBFGSLineSearch: 6 17:45:37 -78.070685 0.001868 LBFGSLineSearch: 7 17:45:37 -78.070686 0.001673 LBFGSLineSearch: 8 17:45:38 -78.070687 0.001634 LBFGSLineSearch: 9 17:45:38 -78.070687 0.001289 LBFGSLineSearch: 10 17:45:39 -78.070688 0.000979 LBFGSLineSearch: 11 17:45:39 -78.070688 0.001104 LBFGSLineSearch: 12 17:45:39 -78.070688 0.000768 LBFGSLineSearch: 13 17:45:40 -78.070689 0.000271 LBFGSLineSearch: 14 17:45:41 -78.070689 0.000170 LBFGSLineSearch: 15 17:45:42 -78.070689 0.000082 LBFGSLineSearch: 16 17:45:43 -78.070689 0.000058 LBFGSLineSearch: 17 17:45:43 -78.070689 0.000063 LBFGSLineSearch: 18 17:45:44 -78.070689 0.000068 LBFGSLineSearch: 19 17:45:44 -78.070689 0.000044 LBFGSLineSearch: 20 17:45:45 -78.070689 0.000046 LBFGSLineSearch: 21 17:45:46 -78.070689 0.000037 LBFGSLineSearch: 22 17:45:46 -78.070689 0.000035 LBFGSLineSearch: 23 17:45:48 -78.070689 0.000004 Minimization converged after 23 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:45:54 -78.494469 0.030271 LBFGSLineSearch: 1 17:45:57 -78.494850 0.011753 LBFGSLineSearch: 2 17:45:58 -78.494894 0.007537 LBFGSLineSearch: 3 17:45:58 -78.494918 0.009958 LBFGSLineSearch: 4 17:45:58 -78.494942 0.003929 LBFGSLineSearch: 5 17:45:59 -78.494949 0.001962 LBFGSLineSearch: 6 17:45:59 -78.494950 0.001893 LBFGSLineSearch: 7 17:46:00 -78.494951 0.001642 LBFGSLineSearch: 8 17:46:00 -78.494951 0.001611 LBFGSLineSearch: 9 17:46:02 -78.494952 0.001276 LBFGSLineSearch: 10 17:46:05 -78.494952 0.000977 LBFGSLineSearch: 11 17:46:06 -78.494953 0.001075 LBFGSLineSearch: 12 17:46:06 -78.494953 0.000752 LBFGSLineSearch: 13 17:46:06 -78.494953 0.000280 LBFGSLineSearch: 14 17:46:07 -78.494953 0.000167 LBFGSLineSearch: 15 17:46:07 -78.494953 0.000082 LBFGSLineSearch: 16 17:46:07 -78.494953 0.000063 LBFGSLineSearch: 17 17:46:08 -78.494953 0.000067 LBFGSLineSearch: 18 17:46:08 -78.494953 0.000063 LBFGSLineSearch: 19 17:46:08 -78.494953 0.000077 LBFGSLineSearch: 20 17:46:10 -78.494953 0.000068 LBFGSLineSearch: 21 17:46:12 -78.494953 0.000042 LBFGSLineSearch: 22 17:46:15 -78.494953 0.000034 LBFGSLineSearch: 23 17:46:15 -78.494953 0.000010 Minimization converged after 23 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:46:21 -78.919704 0.030342 LBFGSLineSearch: 1 17:46:22 -78.920089 0.011828 LBFGSLineSearch: 2 17:46:22 -78.920134 0.007534 LBFGSLineSearch: 3 17:46:22 -78.920159 0.009965 LBFGSLineSearch: 4 17:46:23 -78.920183 0.003923 LBFGSLineSearch: 5 17:46:23 -78.920190 0.001941 LBFGSLineSearch: 6 17:46:23 -78.920191 0.001918 LBFGSLineSearch: 7 17:46:24 -78.920191 0.001611 LBFGSLineSearch: 8 17:46:25 -78.920192 0.001588 LBFGSLineSearch: 9 17:46:26 -78.920193 0.001264 LBFGSLineSearch: 10 17:46:26 -78.920193 0.000974 LBFGSLineSearch: 11 17:46:27 -78.920193 0.001048 LBFGSLineSearch: 12 17:46:27 -78.920194 0.000750 LBFGSLineSearch: 13 17:46:28 -78.920194 0.000291 LBFGSLineSearch: 14 17:46:29 -78.920194 0.000164 LBFGSLineSearch: 15 17:46:29 -78.920194 0.000084 LBFGSLineSearch: 16 17:46:30 -78.920194 0.000078 LBFGSLineSearch: 17 17:46:31 -78.920194 0.000069 LBFGSLineSearch: 18 17:46:32 -78.920194 0.000068 LBFGSLineSearch: 19 17:46:32 -78.920194 0.000076 LBFGSLineSearch: 20 17:46:33 -78.920194 0.000046 LBFGSLineSearch: 21 17:46:34 -78.920194 0.000054 LBFGSLineSearch: 22 17:46:35 -78.920194 0.000038 LBFGSLineSearch: 23 17:46:37 -78.920194 0.000025 LBFGSLineSearch: 24 17:46:40 -78.920194 0.000025 LBFGSLineSearch: 25 17:46:42 -78.920194 0.000022 LBFGSLineSearch: 26 17:46:42 -78.920194 0.000006 Minimization converged after 26 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:46:47 -79.345927 0.030414 LBFGSLineSearch: 1 17:46:48 -79.346317 0.011918 LBFGSLineSearch: 2 17:46:48 -79.346363 0.007539 LBFGSLineSearch: 3 17:46:48 -79.346388 0.009988 LBFGSLineSearch: 4 17:46:49 -79.346412 0.003901 LBFGSLineSearch: 5 17:46:49 -79.346419 0.001937 LBFGSLineSearch: 6 17:46:49 -79.346420 0.001945 LBFGSLineSearch: 7 17:46:50 -79.346421 0.001583 LBFGSLineSearch: 8 17:46:52 -79.346421 0.001567 LBFGSLineSearch: 9 17:46:53 -79.346422 0.001252 LBFGSLineSearch: 10 17:46:54 -79.346422 0.000969 LBFGSLineSearch: 11 17:46:54 -79.346423 0.001023 LBFGSLineSearch: 12 17:46:55 -79.346423 0.000733 LBFGSLineSearch: 13 17:46:57 -79.346423 0.000297 LBFGSLineSearch: 14 17:46:59 -79.346423 0.000162 LBFGSLineSearch: 15 17:47:01 -79.346423 0.000086 LBFGSLineSearch: 16 17:47:02 -79.346423 0.000077 LBFGSLineSearch: 17 17:47:04 -79.346423 0.000075 LBFGSLineSearch: 18 17:47:06 -79.346423 0.000072 LBFGSLineSearch: 19 17:47:08 -79.346423 0.000065 LBFGSLineSearch: 20 17:47:10 -79.346423 0.000056 LBFGSLineSearch: 21 17:47:11 -79.346423 0.000064 LBFGSLineSearch: 22 17:47:13 -79.346423 0.000039 LBFGSLineSearch: 23 17:47:14 -79.346423 0.000024 LBFGSLineSearch: 24 17:47:14 -79.346423 0.000008 Minimization converged after 24 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:47:20 -79.773151 0.030487 LBFGSLineSearch: 1 17:47:21 -79.773547 0.012002 LBFGSLineSearch: 2 17:47:23 -79.773594 0.007575 LBFGSLineSearch: 3 17:47:25 -79.773614 0.008745 LBFGSLineSearch: 4 17:47:26 -79.773632 0.006640 LBFGSLineSearch: 5 17:47:28 -79.773642 0.004602 LBFGSLineSearch: 6 17:47:28 -79.773646 0.003069 LBFGSLineSearch: 7 17:47:28 -79.773649 0.003086 LBFGSLineSearch: 8 17:47:29 -79.773651 0.002778 LBFGSLineSearch: 9 17:47:30 -79.773652 0.001687 LBFGSLineSearch: 10 17:47:31 -79.773652 0.001592 LBFGSLineSearch: 11 17:47:34 -79.773653 0.001450 LBFGSLineSearch: 12 17:47:35 -79.773653 0.001244 LBFGSLineSearch: 13 17:47:35 -79.773654 0.000853 LBFGSLineSearch: 14 17:47:37 -79.773654 0.000845 LBFGSLineSearch: 15 17:47:40 -79.773654 0.000600 LBFGSLineSearch: 16 17:47:41 -79.773654 0.000350 LBFGSLineSearch: 17 17:47:41 -79.773654 0.000098 LBFGSLineSearch: 18 17:47:42 -79.773654 0.000109 LBFGSLineSearch: 19 17:47:43 -79.773654 0.000088 LBFGSLineSearch: 20 17:47:44 -79.773654 0.000075 LBFGSLineSearch: 21 17:47:45 -79.773654 0.000064 LBFGSLineSearch: 22 17:47:45 -79.773654 0.000075 LBFGSLineSearch: 23 17:47:46 -79.773654 0.000089 LBFGSLineSearch: 24 17:47:48 -79.773654 0.000068 LBFGSLineSearch: 25 17:47:49 -79.773654 0.000041 LBFGSLineSearch: 26 17:47:51 -79.773654 0.000014 LBFGSLineSearch: 27 17:47:53 -79.773654 0.000011 LBFGSLineSearch: 28 17:47:54 -79.773654 0.000011 LBFGSLineSearch: 29 17:47:56 -79.773654 0.000008 Minimization converged after 29 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:48:02 -80.201391 0.030556 LBFGSLineSearch: 1 17:48:02 -80.201792 0.012087 LBFGSLineSearch: 2 17:48:03 -80.201840 0.007612 LBFGSLineSearch: 3 17:48:03 -80.201860 0.008751 LBFGSLineSearch: 4 17:48:04 -80.201878 0.006661 LBFGSLineSearch: 5 17:48:05 -80.201889 0.004617 LBFGSLineSearch: 6 17:48:05 -80.201893 0.003100 LBFGSLineSearch: 7 17:48:07 -80.201895 0.003102 LBFGSLineSearch: 8 17:48:09 -80.201897 0.002810 LBFGSLineSearch: 9 17:48:11 -80.201899 0.001713 LBFGSLineSearch: 10 17:48:11 -80.201899 0.001569 LBFGSLineSearch: 11 17:48:12 -80.201899 0.001432 LBFGSLineSearch: 12 17:48:12 -80.201900 0.001235 LBFGSLineSearch: 13 17:48:13 -80.201900 0.000857 LBFGSLineSearch: 14 17:48:13 -80.201901 0.000819 LBFGSLineSearch: 15 17:48:14 -80.201901 0.000584 LBFGSLineSearch: 16 17:48:14 -80.201901 0.000353 LBFGSLineSearch: 17 17:48:14 -80.201901 0.000102 LBFGSLineSearch: 18 17:48:15 -80.201901 0.000085 LBFGSLineSearch: 19 17:48:15 -80.201901 0.000085 LBFGSLineSearch: 20 17:48:15 -80.201901 0.000087 LBFGSLineSearch: 21 17:48:16 -80.201901 0.000068 LBFGSLineSearch: 22 17:48:16 -80.201901 0.000056 LBFGSLineSearch: 23 17:48:19 -80.201901 0.000083 LBFGSLineSearch: 24 17:48:21 -80.201901 0.000053 LBFGSLineSearch: 25 17:48:24 -80.201901 0.000016 LBFGSLineSearch: 26 17:48:26 -80.201901 0.000016 LBFGSLineSearch: 27 17:48:27 -80.201901 0.000013 LBFGSLineSearch: 28 17:48:28 -80.201901 0.000000 Minimization converged after 28 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:48:35 -80.630660 0.030626 LBFGSLineSearch: 1 17:48:36 -80.631066 0.012182 LBFGSLineSearch: 2 17:48:37 -80.631116 0.007650 LBFGSLineSearch: 3 17:48:38 -80.631136 0.008790 LBFGSLineSearch: 4 17:48:39 -80.631154 0.006706 LBFGSLineSearch: 5 17:48:39 -80.631165 0.004643 LBFGSLineSearch: 6 17:48:40 -80.631169 0.003131 LBFGSLineSearch: 7 17:48:40 -80.631172 0.003115 LBFGSLineSearch: 8 17:48:41 -80.631174 0.002841 LBFGSLineSearch: 9 17:48:41 -80.631175 0.001747 LBFGSLineSearch: 10 17:48:42 -80.631175 0.001548 LBFGSLineSearch: 11 17:48:42 -80.631176 0.001415 LBFGSLineSearch: 12 17:48:43 -80.631176 0.001227 LBFGSLineSearch: 13 17:48:43 -80.631176 0.000861 LBFGSLineSearch: 14 17:48:44 -80.631177 0.000801 LBFGSLineSearch: 15 17:48:45 -80.631177 0.000586 LBFGSLineSearch: 16 17:48:45 -80.631177 0.000369 LBFGSLineSearch: 17 17:48:45 -80.631177 0.000103 LBFGSLineSearch: 18 17:48:45 -80.631177 0.000086 LBFGSLineSearch: 19 17:48:46 -80.631177 0.000097 LBFGSLineSearch: 20 17:48:46 -80.631177 0.000084 LBFGSLineSearch: 21 17:48:47 -80.631177 0.000066 LBFGSLineSearch: 22 17:48:47 -80.631177 0.000068 LBFGSLineSearch: 23 17:48:48 -80.631177 0.000065 LBFGSLineSearch: 24 17:48:50 -80.631177 0.000021 LBFGSLineSearch: 25 17:48:50 -80.631177 0.000018 LBFGSLineSearch: 26 17:48:51 -80.631177 0.000021 LBFGSLineSearch: 27 17:48:52 -80.631177 0.000005 Minimization converged after 27 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:48:58 -81.060973 0.030700 LBFGSLineSearch: 1 17:49:00 -81.061385 0.012261 LBFGSLineSearch: 2 17:49:01 -81.061435 0.007691 LBFGSLineSearch: 3 17:49:02 -81.061456 0.008808 LBFGSLineSearch: 4 17:49:02 -81.061474 0.006753 LBFGSLineSearch: 5 17:49:02 -81.061485 0.004676 LBFGSLineSearch: 6 17:49:03 -81.061489 0.003173 LBFGSLineSearch: 7 17:49:03 -81.061492 0.003131 LBFGSLineSearch: 8 17:49:05 -81.061494 0.002875 LBFGSLineSearch: 9 17:49:07 -81.061495 0.001785 LBFGSLineSearch: 10 17:49:09 -81.061496 0.001529 LBFGSLineSearch: 11 17:49:12 -81.061496 0.001399 LBFGSLineSearch: 12 17:49:15 -81.061497 0.001220 LBFGSLineSearch: 13 17:49:17 -81.061497 0.000863 LBFGSLineSearch: 14 17:49:17 -81.061497 0.000783 LBFGSLineSearch: 15 17:49:18 -81.061498 0.000584 LBFGSLineSearch: 16 17:49:18 -81.061498 0.000385 LBFGSLineSearch: 17 17:49:19 -81.061498 0.000109 LBFGSLineSearch: 18 17:49:20 -81.061498 0.000087 LBFGSLineSearch: 19 17:49:20 -81.061498 0.000095 LBFGSLineSearch: 20 17:49:21 -81.061498 0.000090 LBFGSLineSearch: 21 17:49:21 -81.061498 0.000068 LBFGSLineSearch: 22 17:49:21 -81.061498 0.000092 LBFGSLineSearch: 23 17:49:21 -81.061498 0.000063 LBFGSLineSearch: 24 17:49:22 -81.061498 0.000059 LBFGSLineSearch: 25 17:49:22 -81.061498 0.000030 LBFGSLineSearch: 26 17:49:23 -81.061498 0.000023 LBFGSLineSearch: 27 17:49:25 -81.061498 0.000027 LBFGSLineSearch: 28 17:49:27 -81.061498 0.000001 Minimization converged after 28 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:49:33 -81.492346 0.030775 LBFGSLineSearch: 1 17:49:37 -81.492763 0.012365 LBFGSLineSearch: 2 17:49:40 -81.492814 0.007734 LBFGSLineSearch: 3 17:49:42 -81.492836 0.008844 LBFGSLineSearch: 4 17:49:43 -81.492853 0.006791 LBFGSLineSearch: 5 17:49:46 -81.492865 0.004697 LBFGSLineSearch: 6 17:49:48 -81.492869 0.003207 LBFGSLineSearch: 7 17:49:50 -81.492872 0.003148 LBFGSLineSearch: 8 17:49:53 -81.492874 0.002908 LBFGSLineSearch: 9 17:49:55 -81.492875 0.001823 LBFGSLineSearch: 10 17:49:56 -81.492876 0.001511 LBFGSLineSearch: 11 17:49:58 -81.492876 0.001383 LBFGSLineSearch: 12 17:50:01 -81.492877 0.001212 LBFGSLineSearch: 13 17:50:03 -81.492877 0.000864 LBFGSLineSearch: 14 17:50:04 -81.492877 0.000769 LBFGSLineSearch: 15 17:50:07 -81.492878 0.000588 LBFGSLineSearch: 16 17:50:10 -81.492878 0.000401 LBFGSLineSearch: 17 17:50:13 -81.492878 0.000114 LBFGSLineSearch: 18 17:50:15 -81.492878 0.000088 LBFGSLineSearch: 19 17:50:16 -81.492878 0.000095 LBFGSLineSearch: 20 17:50:16 -81.492878 0.000107 LBFGSLineSearch: 21 17:50:16 -81.492878 0.000069 LBFGSLineSearch: 22 17:50:18 -81.492878 0.000073 LBFGSLineSearch: 23 17:50:20 -81.492878 0.000098 LBFGSLineSearch: 24 17:50:22 -81.492878 0.000026 LBFGSLineSearch: 25 17:50:22 -81.492878 0.000021 LBFGSLineSearch: 26 17:50:22 -81.492878 0.000021 LBFGSLineSearch: 27 17:50:24 -81.492878 0.000000 Minimization converged after 27 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:50:30 -81.924793 0.030851 LBFGSLineSearch: 1 17:50:32 -81.925216 0.012462 LBFGSLineSearch: 2 17:50:34 -81.925269 0.007780 LBFGSLineSearch: 3 17:50:36 -81.925290 0.008879 LBFGSLineSearch: 4 17:50:37 -81.925308 0.006836 LBFGSLineSearch: 5 17:50:39 -81.925320 0.004728 LBFGSLineSearch: 6 17:50:40 -81.925325 0.003251 LBFGSLineSearch: 7 17:50:42 -81.925327 0.003165 LBFGSLineSearch: 8 17:50:44 -81.925329 0.002944 LBFGSLineSearch: 9 17:50:45 -81.925331 0.001864 LBFGSLineSearch: 10 17:50:46 -81.925331 0.001495 LBFGSLineSearch: 11 17:50:47 -81.925332 0.001369 LBFGSLineSearch: 12 17:50:48 -81.925332 0.001205 LBFGSLineSearch: 13 17:50:50 -81.925333 0.000864 LBFGSLineSearch: 14 17:50:51 -81.925333 0.000756 LBFGSLineSearch: 15 17:50:51 -81.925333 0.000591 LBFGSLineSearch: 16 17:50:51 -81.925333 0.000417 LBFGSLineSearch: 17 17:50:52 -81.925333 0.000120 LBFGSLineSearch: 18 17:50:52 -81.925333 0.000087 LBFGSLineSearch: 19 17:50:53 -81.925333 0.000095 LBFGSLineSearch: 20 17:50:53 -81.925333 0.000134 LBFGSLineSearch: 21 17:50:53 -81.925333 0.000072 LBFGSLineSearch: 22 17:50:53 -81.925333 0.000067 LBFGSLineSearch: 23 17:50:53 -81.925333 0.000080 LBFGSLineSearch: 24 17:50:54 -81.925333 0.000086 LBFGSLineSearch: 25 17:50:54 -81.925334 0.000033 LBFGSLineSearch: 26 17:50:54 -81.925334 0.000027 LBFGSLineSearch: 27 17:50:54 -81.925334 0.000006 Minimization converged after 27 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:51:00 -82.358332 0.030933 LBFGSLineSearch: 1 17:51:01 -82.358761 0.012561 LBFGSLineSearch: 2 17:51:01 -82.358815 0.007827 LBFGSLineSearch: 3 17:51:02 -82.358837 0.008916 LBFGSLineSearch: 4 17:51:04 -82.358855 0.006885 LBFGSLineSearch: 5 17:51:05 -82.358867 0.004763 LBFGSLineSearch: 6 17:51:06 -82.358872 0.003297 LBFGSLineSearch: 7 17:51:07 -82.358874 0.003184 LBFGSLineSearch: 8 17:51:08 -82.358877 0.002981 LBFGSLineSearch: 9 17:51:09 -82.358878 0.001906 LBFGSLineSearch: 10 17:51:10 -82.358879 0.001481 LBFGSLineSearch: 11 17:51:11 -82.358879 0.001356 LBFGSLineSearch: 12 17:51:12 -82.358879 0.001199 LBFGSLineSearch: 13 17:51:12 -82.358880 0.000863 LBFGSLineSearch: 14 17:51:13 -82.358880 0.000745 LBFGSLineSearch: 15 17:51:13 -82.358881 0.000594 LBFGSLineSearch: 16 17:51:14 -82.358881 0.000436 LBFGSLineSearch: 17 17:51:16 -82.358881 0.000125 LBFGSLineSearch: 18 17:51:17 -82.358881 0.000090 LBFGSLineSearch: 19 17:51:17 -82.358881 0.000098 LBFGSLineSearch: 20 17:51:18 -82.358881 0.000130 LBFGSLineSearch: 21 17:51:19 -82.358881 0.000073 LBFGSLineSearch: 22 17:51:20 -82.358881 0.000076 LBFGSLineSearch: 23 17:51:22 -82.358881 0.000065 LBFGSLineSearch: 24 17:51:24 -82.358881 0.000069 LBFGSLineSearch: 25 17:51:27 -82.358881 0.000059 LBFGSLineSearch: 26 17:51:29 -82.358881 0.000068 LBFGSLineSearch: 27 17:51:32 -82.358881 0.000069 LBFGSLineSearch: 28 17:51:33 -82.358881 0.000029 LBFGSLineSearch: 29 17:51:36 -82.358881 0.000028 LBFGSLineSearch: 30 17:51:36 -82.358881 0.000022 LBFGSLineSearch: 31 17:51:37 -82.358881 0.000022 LBFGSLineSearch: 32 17:51:37 -82.358881 0.000000 Minimization converged after 32 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:51:43 -82.792980 0.031007 LBFGSLineSearch: 1 17:51:44 -82.793415 0.012564 LBFGSLineSearch: 2 17:51:46 -82.793470 0.008162 LBFGSLineSearch: 3 17:51:46 -82.793492 0.008964 LBFGSLineSearch: 4 17:51:47 -82.793510 0.006958 LBFGSLineSearch: 5 17:51:47 -82.793523 0.004847 LBFGSLineSearch: 6 17:51:47 -82.793528 0.003360 LBFGSLineSearch: 7 17:51:48 -82.793530 0.003196 LBFGSLineSearch: 8 17:51:49 -82.793533 0.003020 LBFGSLineSearch: 9 17:51:49 -82.793534 0.001957 LBFGSLineSearch: 10 17:51:50 -82.793535 0.001441 LBFGSLineSearch: 11 17:51:50 -82.793535 0.001410 LBFGSLineSearch: 12 17:51:51 -82.793536 0.001201 LBFGSLineSearch: 13 17:51:52 -82.793536 0.000824 LBFGSLineSearch: 14 17:51:53 -82.793536 0.000737 LBFGSLineSearch: 15 17:51:54 -82.793537 0.000603 LBFGSLineSearch: 16 17:51:54 -82.793537 0.000460 LBFGSLineSearch: 17 17:51:56 -82.793537 0.000128 LBFGSLineSearch: 18 17:51:59 -82.793537 0.000100 LBFGSLineSearch: 19 17:52:01 -82.793537 0.000105 LBFGSLineSearch: 20 17:52:02 -82.793537 0.000118 LBFGSLineSearch: 21 17:52:04 -82.793537 0.000072 LBFGSLineSearch: 22 17:52:06 -82.793537 0.000071 LBFGSLineSearch: 23 17:52:06 -82.793537 0.000061 LBFGSLineSearch: 24 17:52:07 -82.793537 0.000084 LBFGSLineSearch: 25 17:52:08 -82.793537 0.000059 LBFGSLineSearch: 26 17:52:08 -82.793537 0.000027 LBFGSLineSearch: 27 17:52:10 -82.793537 0.000031 LBFGSLineSearch: 28 17:52:11 -82.793537 0.000038 LBFGSLineSearch: 29 17:52:13 -82.793537 0.000030 LBFGSLineSearch: 30 17:52:17 -82.793537 0.000000 Minimization converged after 30 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:52:23 -83.228754 0.031087 LBFGSLineSearch: 1 17:52:23 -83.229195 0.012547 LBFGSLineSearch: 2 17:52:23 -83.229250 0.008585 LBFGSLineSearch: 3 17:52:25 -83.229274 0.008982 LBFGSLineSearch: 4 17:52:26 -83.229292 0.006976 LBFGSLineSearch: 5 17:52:28 -83.229305 0.005006 LBFGSLineSearch: 6 17:52:30 -83.229310 0.003450 LBFGSLineSearch: 7 17:52:33 -83.229313 0.003177 LBFGSLineSearch: 8 17:52:35 -83.229316 0.003056 LBFGSLineSearch: 9 17:52:36 -83.229317 0.002041 LBFGSLineSearch: 10 17:52:38 -83.229318 0.001381 LBFGSLineSearch: 11 17:52:40 -83.229318 0.001436 LBFGSLineSearch: 12 17:52:42 -83.229318 0.001442 LBFGSLineSearch: 13 17:52:43 -83.229319 0.001040 LBFGSLineSearch: 14 17:52:44 -83.229319 0.000680 LBFGSLineSearch: 15 17:52:45 -83.229319 0.000950 LBFGSLineSearch: 16 17:52:46 -83.229320 0.000568 LBFGSLineSearch: 17 17:52:46 -83.229320 0.000526 LBFGSLineSearch: 18 17:52:46 -83.229320 0.000471 LBFGSLineSearch: 19 17:52:47 -83.229320 0.000282 LBFGSLineSearch: 20 17:52:47 -83.229320 0.000124 LBFGSLineSearch: 21 17:52:49 -83.229320 0.000112 LBFGSLineSearch: 22 17:52:50 -83.229320 0.000117 LBFGSLineSearch: 23 17:52:50 -83.229320 0.000095 LBFGSLineSearch: 24 17:52:51 -83.229320 0.000078 LBFGSLineSearch: 25 17:52:51 -83.229320 0.000065 LBFGSLineSearch: 26 17:52:51 -83.229320 0.000094 LBFGSLineSearch: 27 17:52:52 -83.229320 0.000057 LBFGSLineSearch: 28 17:52:52 -83.229320 0.000070 LBFGSLineSearch: 29 17:52:52 -83.229320 0.000058 LBFGSLineSearch: 30 17:52:52 -83.229320 0.000034 LBFGSLineSearch: 31 17:52:52 -83.229320 0.000030 LBFGSLineSearch: 32 17:52:53 -83.229320 0.000026 LBFGSLineSearch: 33 17:52:53 -83.229320 0.000032 LBFGSLineSearch: 34 17:52:53 -83.229320 0.000039 LBFGSLineSearch: 35 17:52:53 -83.229320 0.000000 Minimization converged after 35 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:00 -83.665673 0.031168 LBFGSLineSearch: 1 17:53:00 -83.666121 0.012529 LBFGSLineSearch: 2 17:53:00 -83.666174 0.009038 LBFGSLineSearch: 3 17:53:01 -83.666206 0.010356 LBFGSLineSearch: 4 17:53:01 -83.666234 0.003902 LBFGSLineSearch: 5 17:53:01 -83.666239 0.003195 LBFGSLineSearch: 6 17:53:01 -83.666245 0.002304 LBFGSLineSearch: 7 17:53:01 -83.666247 0.001472 LBFGSLineSearch: 8 17:53:01 -83.666247 0.001518 LBFGSLineSearch: 9 17:53:02 -83.666248 0.000909 LBFGSLineSearch: 10 17:53:02 -83.666248 0.000697 LBFGSLineSearch: 11 17:53:02 -83.666249 0.000380 LBFGSLineSearch: 12 17:53:02 -83.666249 0.000204 LBFGSLineSearch: 13 17:53:02 -83.666249 0.000169 LBFGSLineSearch: 14 17:53:03 -83.666249 0.000173 LBFGSLineSearch: 15 17:53:03 -83.666249 0.000150 LBFGSLineSearch: 16 17:53:03 -83.666249 0.000143 LBFGSLineSearch: 17 17:53:03 -83.666249 0.000107 LBFGSLineSearch: 18 17:53:03 -83.666249 0.000087 LBFGSLineSearch: 19 17:53:04 -83.666249 0.000082 LBFGSLineSearch: 20 17:53:04 -83.666249 0.000074 LBFGSLineSearch: 21 17:53:04 -83.666249 0.000076 LBFGSLineSearch: 22 17:53:04 -83.666249 0.000034 LBFGSLineSearch: 23 17:53:05 -83.666249 0.000031 LBFGSLineSearch: 24 17:53:05 -83.666249 0.000030 LBFGSLineSearch: 25 17:53:06 -83.666249 0.000009 Minimization converged after 25 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:12 -84.103757 0.031254 LBFGSLineSearch: 1 17:53:12 -84.104211 0.012511 LBFGSLineSearch: 2 17:53:13 -84.104262 0.009516 LBFGSLineSearch: 3 17:53:13 -84.104300 0.009987 LBFGSLineSearch: 4 17:53:13 -84.104327 0.003995 LBFGSLineSearch: 5 17:53:13 -84.104332 0.003295 LBFGSLineSearch: 6 17:53:14 -84.104339 0.002346 LBFGSLineSearch: 7 17:53:14 -84.104340 0.001470 LBFGSLineSearch: 8 17:53:14 -84.104341 0.001539 LBFGSLineSearch: 9 17:53:14 -84.104341 0.000898 LBFGSLineSearch: 10 17:53:15 -84.104342 0.000693 LBFGSLineSearch: 11 17:53:15 -84.104342 0.000287 LBFGSLineSearch: 12 17:53:15 -84.104342 0.000206 LBFGSLineSearch: 13 17:53:15 -84.104343 0.000191 LBFGSLineSearch: 14 17:53:16 -84.104343 0.000198 LBFGSLineSearch: 15 17:53:16 -84.104343 0.000168 LBFGSLineSearch: 16 17:53:16 -84.104343 0.000135 LBFGSLineSearch: 17 17:53:16 -84.104343 0.000094 LBFGSLineSearch: 18 17:53:16 -84.104343 0.000086 LBFGSLineSearch: 19 17:53:17 -84.104343 0.000089 LBFGSLineSearch: 20 17:53:17 -84.104343 0.000077 LBFGSLineSearch: 21 17:53:17 -84.104343 0.000066 LBFGSLineSearch: 22 17:53:18 -84.104343 0.000035 LBFGSLineSearch: 23 17:53:18 -84.104343 0.000030 LBFGSLineSearch: 24 17:53:19 -84.104343 0.000025 LBFGSLineSearch: 25 17:53:19 -84.104343 0.000028 LBFGSLineSearch: 26 17:53:21 -84.104343 0.000007 Minimization converged after 26 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:27 -84.543026 0.031336 LBFGSLineSearch: 1 17:53:30 -84.543487 0.012487 LBFGSLineSearch: 2 17:53:32 -84.543534 0.010062 LBFGSLineSearch: 3 17:53:34 -84.543578 0.009384 LBFGSLineSearch: 4 17:53:36 -84.543608 0.004219 LBFGSLineSearch: 5 17:53:37 -84.543616 0.001943 LBFGSLineSearch: 6 17:53:39 -84.543618 0.002307 LBFGSLineSearch: 7 17:53:40 -84.543619 0.001457 LBFGSLineSearch: 8 17:53:41 -84.543620 0.001389 LBFGSLineSearch: 9 17:53:41 -84.543621 0.000878 LBFGSLineSearch: 10 17:53:43 -84.543621 0.000724 LBFGSLineSearch: 11 17:53:44 -84.543621 0.000640 LBFGSLineSearch: 12 17:53:45 -84.543622 0.000286 LBFGSLineSearch: 13 17:53:45 -84.543622 0.000184 LBFGSLineSearch: 14 17:53:47 -84.543622 0.000177 LBFGSLineSearch: 15 17:53:47 -84.543622 0.000160 LBFGSLineSearch: 16 17:53:48 -84.543622 0.000139 LBFGSLineSearch: 17 17:53:48 -84.543622 0.000111 LBFGSLineSearch: 18 17:53:49 -84.543622 0.000089 LBFGSLineSearch: 19 17:53:50 -84.543622 0.000104 LBFGSLineSearch: 20 17:53:50 -84.543622 0.000085 LBFGSLineSearch: 21 17:53:52 -84.543622 0.000074 LBFGSLineSearch: 22 17:53:52 -84.543622 0.000066 LBFGSLineSearch: 23 17:53:53 -84.543622 0.000025 LBFGSLineSearch: 24 17:53:54 -84.543622 0.000028 LBFGSLineSearch: 25 17:53:55 -84.543622 0.000020 LBFGSLineSearch: 26 17:53:57 -84.543622 0.000024 LBFGSLineSearch: 27 17:53:59 -84.543622 0.000008 Minimization converged after 27 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:05 -84.983501 0.031423 LBFGSLineSearch: 1 17:54:05 -84.983969 0.012472 LBFGSLineSearch: 2 17:54:05 -84.984013 0.010665 LBFGSLineSearch: 3 17:54:05 -84.984063 0.009600 LBFGSLineSearch: 4 17:54:06 -84.984093 0.004299 LBFGSLineSearch: 5 17:54:06 -84.984102 0.001948 LBFGSLineSearch: 6 17:54:07 -84.984104 0.002350 LBFGSLineSearch: 7 17:54:07 -84.984105 0.001436 LBFGSLineSearch: 8 17:54:07 -84.984106 0.001390 LBFGSLineSearch: 9 17:54:08 -84.984106 0.000891 LBFGSLineSearch: 10 17:54:08 -84.984107 0.000729 LBFGSLineSearch: 11 17:54:08 -84.984107 0.000645 LBFGSLineSearch: 12 17:54:08 -84.984108 0.000307 LBFGSLineSearch: 13 17:54:09 -84.984108 0.000186 LBFGSLineSearch: 14 17:54:09 -84.984108 0.000183 LBFGSLineSearch: 15 17:54:09 -84.984108 0.000152 LBFGSLineSearch: 16 17:54:10 -84.984108 0.000101 LBFGSLineSearch: 17 17:54:10 -84.984108 0.000086 LBFGSLineSearch: 18 17:54:10 -84.984108 0.000074 LBFGSLineSearch: 19 17:54:10 -84.984108 0.000076 LBFGSLineSearch: 20 17:54:11 -84.984108 0.000036 LBFGSLineSearch: 21 17:54:11 -84.984108 0.000021 LBFGSLineSearch: 22 17:54:11 -84.984108 0.000011 LBFGSLineSearch: 23 17:54:11 -84.984108 0.000005 Minimization converged after 23 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:17 -85.425204 0.031508 LBFGSLineSearch: 1 17:54:18 -85.425680 0.012453 LBFGSLineSearch: 2 17:54:18 -85.425721 0.011216 LBFGSLineSearch: 3 17:54:18 -85.425776 0.009753 LBFGSLineSearch: 4 17:54:18 -85.425808 0.004384 LBFGSLineSearch: 5 17:54:18 -85.425817 0.001961 LBFGSLineSearch: 6 17:54:18 -85.425819 0.002388 LBFGSLineSearch: 7 17:54:19 -85.425820 0.001428 LBFGSLineSearch: 8 17:54:19 -85.425821 0.001408 LBFGSLineSearch: 9 17:54:19 -85.425821 0.000924 LBFGSLineSearch: 10 17:54:19 -85.425822 0.000754 LBFGSLineSearch: 11 17:54:20 -85.425823 0.000684 LBFGSLineSearch: 12 17:54:20 -85.425823 0.000303 LBFGSLineSearch: 13 17:54:20 -85.425823 0.000187 LBFGSLineSearch: 14 17:54:20 -85.425823 0.000187 LBFGSLineSearch: 15 17:54:20 -85.425823 0.000158 LBFGSLineSearch: 16 17:54:20 -85.425823 0.000105 LBFGSLineSearch: 17 17:54:21 -85.425823 0.000086 LBFGSLineSearch: 18 17:54:21 -85.425823 0.000071 LBFGSLineSearch: 19 17:54:21 -85.425823 0.000074 LBFGSLineSearch: 20 17:54:21 -85.425823 0.000037 LBFGSLineSearch: 21 17:54:21 -85.425823 0.000016 LBFGSLineSearch: 22 17:54:21 -85.425823 0.000024 LBFGSLineSearch: 23 17:54:21 -85.425823 0.000003 Minimization converged after 23 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:27 -85.868160 0.031596 LBFGSLineSearch: 1 17:54:27 -85.868643 0.012434 LBFGSLineSearch: 2 17:54:27 -85.868682 0.011691 LBFGSLineSearch: 3 17:54:27 -85.868743 0.009885 LBFGSLineSearch: 4 17:54:27 -85.868775 0.004476 LBFGSLineSearch: 5 17:54:27 -85.868784 0.002032 LBFGSLineSearch: 6 17:54:27 -85.868786 0.002429 LBFGSLineSearch: 7 17:54:28 -85.868787 0.001516 LBFGSLineSearch: 8 17:54:28 -85.868788 0.001464 LBFGSLineSearch: 9 17:54:29 -85.868789 0.000957 LBFGSLineSearch: 10 17:54:29 -85.868790 0.000794 LBFGSLineSearch: 11 17:54:30 -85.868790 0.000890 LBFGSLineSearch: 12 17:54:30 -85.868791 0.000384 LBFGSLineSearch: 13 17:54:30 -85.868791 0.000194 LBFGSLineSearch: 14 17:54:30 -85.868791 0.000211 LBFGSLineSearch: 15 17:54:30 -85.868791 0.000165 LBFGSLineSearch: 16 17:54:30 -85.868791 0.000109 LBFGSLineSearch: 17 17:54:30 -85.868791 0.000087 LBFGSLineSearch: 18 17:54:30 -85.868791 0.000070 LBFGSLineSearch: 19 17:54:31 -85.868791 0.000073 LBFGSLineSearch: 20 17:54:31 -85.868791 0.000039 LBFGSLineSearch: 21 17:54:31 -85.868791 0.000011 LBFGSLineSearch: 22 17:54:31 -85.868791 0.000010 Minimization converged after 22 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:36 -86.312393 0.031692 LBFGSLineSearch: 1 17:54:37 -86.312882 0.012418 LBFGSLineSearch: 2 17:54:38 -86.312921 0.012099 LBFGSLineSearch: 3 17:54:38 -86.312986 0.010011 LBFGSLineSearch: 4 17:54:38 -86.313019 0.004578 LBFGSLineSearch: 5 17:54:39 -86.313029 0.002107 LBFGSLineSearch: 6 17:54:39 -86.313031 0.002471 LBFGSLineSearch: 7 17:54:40 -86.313032 0.001607 LBFGSLineSearch: 8 17:54:40 -86.313033 0.001524 LBFGSLineSearch: 9 17:54:40 -86.313034 0.000990 LBFGSLineSearch: 10 17:54:40 -86.313035 0.000868 LBFGSLineSearch: 11 17:54:40 -86.313035 0.000805 LBFGSLineSearch: 12 17:54:40 -86.313036 0.000541 LBFGSLineSearch: 13 17:54:40 -86.313036 0.000229 LBFGSLineSearch: 14 17:54:41 -86.313036 0.000194 LBFGSLineSearch: 15 17:54:41 -86.313036 0.000268 LBFGSLineSearch: 16 17:54:41 -86.313036 0.000169 LBFGSLineSearch: 17 17:54:41 -86.313036 0.000152 LBFGSLineSearch: 18 17:54:41 -86.313036 0.000120 LBFGSLineSearch: 19 17:54:41 -86.313036 0.000103 LBFGSLineSearch: 20 17:54:41 -86.313036 0.000104 LBFGSLineSearch: 21 17:54:41 -86.313036 0.000078 LBFGSLineSearch: 22 17:54:41 -86.313036 0.000062 LBFGSLineSearch: 23 17:54:42 -86.313036 0.000043 LBFGSLineSearch: 24 17:54:42 -86.313036 0.000025 LBFGSLineSearch: 25 17:54:42 -86.313036 0.000027 LBFGSLineSearch: 26 17:54:42 -86.313036 0.000007 Minimization converged after 26 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:47 -86.757928 0.031780 LBFGSLineSearch: 1 17:54:47 -86.758425 0.012385 LBFGSLineSearch: 2 17:54:48 -86.758463 0.012451 LBFGSLineSearch: 3 17:54:48 -86.758534 0.010096 LBFGSLineSearch: 4 17:54:48 -86.758567 0.004684 LBFGSLineSearch: 5 17:54:49 -86.758577 0.002181 LBFGSLineSearch: 6 17:54:49 -86.758579 0.002513 LBFGSLineSearch: 7 17:54:49 -86.758581 0.001705 LBFGSLineSearch: 8 17:54:50 -86.758582 0.001589 LBFGSLineSearch: 9 17:54:50 -86.758583 0.001024 LBFGSLineSearch: 10 17:54:51 -86.758584 0.000964 LBFGSLineSearch: 11 17:54:52 -86.758584 0.001202 LBFGSLineSearch: 12 17:54:53 -86.758584 0.000386 LBFGSLineSearch: 13 17:54:53 -86.758584 0.000222 LBFGSLineSearch: 14 17:54:53 -86.758584 0.000193 LBFGSLineSearch: 15 17:54:54 -86.758585 0.000218 LBFGSLineSearch: 16 17:54:54 -86.758585 0.000175 LBFGSLineSearch: 17 17:54:54 -86.758585 0.000174 LBFGSLineSearch: 18 17:54:55 -86.758585 0.000148 LBFGSLineSearch: 19 17:54:55 -86.758585 0.000108 LBFGSLineSearch: 20 17:54:55 -86.758585 0.000093 LBFGSLineSearch: 21 17:54:55 -86.758585 0.000073 LBFGSLineSearch: 22 17:54:55 -86.758585 0.000073 LBFGSLineSearch: 23 17:54:56 -86.758585 0.000040 LBFGSLineSearch: 24 17:54:56 -86.758585 0.000023 LBFGSLineSearch: 25 17:54:56 -86.758585 0.000028 LBFGSLineSearch: 26 17:54:56 -86.758585 0.000005 Minimization converged after 26 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:02 -87.204794 0.031875 LBFGSLineSearch: 1 17:55:02 -87.205299 0.012375 LBFGSLineSearch: 2 17:55:03 -87.205336 0.012758 LBFGSLineSearch: 3 17:55:03 -87.205411 0.010245 LBFGSLineSearch: 4 17:55:04 -87.205446 0.004795 LBFGSLineSearch: 5 17:55:04 -87.205456 0.002265 LBFGSLineSearch: 6 17:55:04 -87.205459 0.002565 LBFGSLineSearch: 7 17:55:05 -87.205460 0.001804 LBFGSLineSearch: 8 17:55:05 -87.205461 0.001657 LBFGSLineSearch: 9 17:55:05 -87.205462 0.001055 LBFGSLineSearch: 10 17:55:05 -87.205463 0.001071 LBFGSLineSearch: 11 17:55:06 -87.205463 0.001262 LBFGSLineSearch: 12 17:55:06 -87.205464 0.000282 LBFGSLineSearch: 13 17:55:06 -87.205464 0.000237 LBFGSLineSearch: 14 17:55:08 -87.205464 0.000234 LBFGSLineSearch: 15 17:55:09 -87.205464 0.000194 LBFGSLineSearch: 16 17:55:09 -87.205464 0.000124 LBFGSLineSearch: 17 17:55:09 -87.205464 0.000066 LBFGSLineSearch: 18 17:55:10 -87.205464 0.000065 LBFGSLineSearch: 19 17:55:10 -87.205464 0.000058 LBFGSLineSearch: 20 17:55:11 -87.205464 0.000043 LBFGSLineSearch: 21 17:55:11 -87.205464 0.000016 LBFGSLineSearch: 22 17:55:11 -87.205464 0.000006 Minimization converged after 22 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:17 -87.653019 0.031970 LBFGSLineSearch: 1 17:55:18 -87.653531 0.012354 LBFGSLineSearch: 2 17:55:19 -87.653569 0.013033 LBFGSLineSearch: 3 17:55:19 -87.653649 0.010294 LBFGSLineSearch: 4 17:55:20 -87.653684 0.004938 LBFGSLineSearch: 5 17:55:21 -87.653694 0.002689 LBFGSLineSearch: 6 17:55:22 -87.653698 0.002665 LBFGSLineSearch: 7 17:55:22 -87.653699 0.001859 LBFGSLineSearch: 8 17:55:23 -87.653701 0.001745 LBFGSLineSearch: 9 17:55:24 -87.653702 0.001263 LBFGSLineSearch: 10 17:55:25 -87.653702 0.001121 LBFGSLineSearch: 11 17:55:25 -87.653702 0.000953 LBFGSLineSearch: 12 17:55:26 -87.653703 0.000802 LBFGSLineSearch: 13 17:55:26 -87.653703 0.000935 LBFGSLineSearch: 14 17:55:27 -87.653704 0.001263 LBFGSLineSearch: 15 17:55:27 -87.653704 0.000246 LBFGSLineSearch: 16 17:55:27 -87.653704 0.000192 LBFGSLineSearch: 17 17:55:28 -87.653704 0.000145 LBFGSLineSearch: 18 17:55:28 -87.653704 0.000133 LBFGSLineSearch: 19 17:55:28 -87.653704 0.000084 LBFGSLineSearch: 20 17:55:29 -87.653704 0.000077 LBFGSLineSearch: 21 17:55:30 -87.653704 0.000048 LBFGSLineSearch: 22 17:55:30 -87.653704 0.000041 LBFGSLineSearch: 23 17:55:30 -87.653704 0.000030 LBFGSLineSearch: 24 17:55:31 -87.653704 0.000003 Minimization converged after 24 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:37 -88.102634 0.032065 LBFGSLineSearch: 1 17:55:37 -88.103154 0.012336 LBFGSLineSearch: 2 17:55:37 -88.103193 0.013288 LBFGSLineSearch: 3 17:55:37 -88.103277 0.009849 LBFGSLineSearch: 4 17:55:38 -88.103308 0.006545 LBFGSLineSearch: 5 17:55:38 -88.103316 0.004545 LBFGSLineSearch: 6 17:55:38 -88.103320 0.003903 LBFGSLineSearch: 7 17:55:39 -88.103326 0.003993 LBFGSLineSearch: 8 17:55:39 -88.103330 0.001969 LBFGSLineSearch: 9 17:55:39 -88.103331 0.001779 LBFGSLineSearch: 10 17:55:39 -88.103332 0.001801 LBFGSLineSearch: 11 17:55:40 -88.103333 0.001092 LBFGSLineSearch: 12 17:55:40 -88.103333 0.001333 LBFGSLineSearch: 13 17:55:41 -88.103334 0.001095 LBFGSLineSearch: 14 17:55:41 -88.103334 0.000745 LBFGSLineSearch: 15 17:55:41 -88.103335 0.000265 LBFGSLineSearch: 16 17:55:42 -88.103335 0.000205 LBFGSLineSearch: 17 17:55:42 -88.103335 0.000169 LBFGSLineSearch: 18 17:55:43 -88.103335 0.000138 LBFGSLineSearch: 19 17:55:43 -88.103335 0.000149 LBFGSLineSearch: 20 17:55:43 -88.103335 0.000138 LBFGSLineSearch: 21 17:55:44 -88.103335 0.000089 LBFGSLineSearch: 22 17:55:44 -88.103335 0.000079 LBFGSLineSearch: 23 17:55:45 -88.103335 0.000048 LBFGSLineSearch: 24 17:55:45 -88.103335 0.000053 LBFGSLineSearch: 25 17:55:45 -88.103335 0.000043 LBFGSLineSearch: 26 17:55:46 -88.103335 0.000045 LBFGSLineSearch: 27 17:55:46 -88.103335 0.000000 Minimization converged after 27 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:52 -88.553672 0.032167 LBFGSLineSearch: 1 17:55:52 -88.554201 0.012311 LBFGSLineSearch: 2 17:55:52 -88.554241 0.013522 LBFGSLineSearch: 3 17:55:52 -88.554328 0.009489 LBFGSLineSearch: 4 17:55:53 -88.554355 0.008188 LBFGSLineSearch: 5 17:55:53 -88.554371 0.004749 LBFGSLineSearch: 6 17:55:53 -88.554381 0.002440 LBFGSLineSearch: 7 17:55:53 -88.554383 0.002223 LBFGSLineSearch: 8 17:55:54 -88.554385 0.001931 LBFGSLineSearch: 9 17:55:54 -88.554386 0.001822 LBFGSLineSearch: 10 17:55:54 -88.554387 0.001124 LBFGSLineSearch: 11 17:55:55 -88.554388 0.001071 LBFGSLineSearch: 12 17:55:55 -88.554389 0.000923 LBFGSLineSearch: 13 17:55:55 -88.554390 0.000307 LBFGSLineSearch: 14 17:55:56 -88.554390 0.000272 LBFGSLineSearch: 15 17:55:56 -88.554390 0.000287 LBFGSLineSearch: 16 17:55:56 -88.554390 0.000179 LBFGSLineSearch: 17 17:55:57 -88.554390 0.000116 LBFGSLineSearch: 18 17:55:57 -88.554390 0.000128 LBFGSLineSearch: 19 17:55:58 -88.554390 0.000129 LBFGSLineSearch: 20 17:55:59 -88.554390 0.000069 LBFGSLineSearch: 21 17:55:59 -88.554390 0.000090 LBFGSLineSearch: 22 17:56:01 -88.554390 0.000072 LBFGSLineSearch: 23 17:56:02 -88.554390 0.000065 LBFGSLineSearch: 24 17:56:02 -88.554390 0.000073 LBFGSLineSearch: 25 17:56:03 -88.554390 0.000060 LBFGSLineSearch: 26 17:56:03 -88.554390 0.000000 Minimization converged after 26 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:09 -89.006168 0.032270 LBFGSLineSearch: 1 17:56:09 -89.006705 0.012290 LBFGSLineSearch: 2 17:56:10 -89.006739 0.013075 LBFGSLineSearch: 3 17:56:10 -89.006790 0.010907 LBFGSLineSearch: 4 17:56:11 -89.006857 0.008263 LBFGSLineSearch: 5 17:56:11 -89.006883 0.004897 LBFGSLineSearch: 6 17:56:11 -89.006894 0.002654 LBFGSLineSearch: 7 17:56:11 -89.006897 0.002354 LBFGSLineSearch: 8 17:56:11 -89.006898 0.001997 LBFGSLineSearch: 9 17:56:12 -89.006899 0.001920 LBFGSLineSearch: 10 17:56:12 -89.006901 0.001159 LBFGSLineSearch: 11 17:56:12 -89.006902 0.001199 LBFGSLineSearch: 12 17:56:12 -89.006903 0.001160 LBFGSLineSearch: 13 17:56:13 -89.006904 0.000451 LBFGSLineSearch: 14 17:56:13 -89.006904 0.000354 LBFGSLineSearch: 15 17:56:13 -89.006904 0.000365 LBFGSLineSearch: 16 17:56:13 -89.006904 0.000281 LBFGSLineSearch: 17 17:56:13 -89.006904 0.000199 LBFGSLineSearch: 18 17:56:13 -89.006904 0.000102 LBFGSLineSearch: 19 17:56:14 -89.006904 0.000124 LBFGSLineSearch: 20 17:56:14 -89.006904 0.000181 LBFGSLineSearch: 21 17:56:14 -89.006904 0.000110 LBFGSLineSearch: 22 17:56:14 -89.006904 0.000075 LBFGSLineSearch: 23 17:56:15 -89.006904 0.000101 LBFGSLineSearch: 24 17:56:15 -89.006904 0.000000 Minimization converged after 24 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:21 -89.460160 0.032376 LBFGSLineSearch: 1 17:56:21 -89.460705 0.012269 LBFGSLineSearch: 2 17:56:21 -89.460742 0.013240 LBFGSLineSearch: 3 17:56:22 -89.460794 0.011187 LBFGSLineSearch: 4 17:56:22 -89.460865 0.008422 LBFGSLineSearch: 5 17:56:22 -89.460892 0.005069 LBFGSLineSearch: 6 17:56:22 -89.460903 0.002782 LBFGSLineSearch: 7 17:56:22 -89.460907 0.002482 LBFGSLineSearch: 8 17:56:22 -89.460908 0.002111 LBFGSLineSearch: 9 17:56:23 -89.460910 0.002016 LBFGSLineSearch: 10 17:56:23 -89.460912 0.001193 LBFGSLineSearch: 11 17:56:23 -89.460913 0.001302 LBFGSLineSearch: 12 17:56:23 -89.460914 0.001432 LBFGSLineSearch: 13 17:56:24 -89.460915 0.000448 LBFGSLineSearch: 14 17:56:24 -89.460915 0.000398 LBFGSLineSearch: 15 17:56:25 -89.460915 0.000340 LBFGSLineSearch: 16 17:56:26 -89.460915 0.000292 LBFGSLineSearch: 17 17:56:27 -89.460915 0.000241 LBFGSLineSearch: 18 17:56:29 -89.460915 0.000154 LBFGSLineSearch: 19 17:56:31 -89.460915 0.000128 LBFGSLineSearch: 20 17:56:32 -89.460915 0.000135 LBFGSLineSearch: 21 17:56:33 -89.460915 0.000139 LBFGSLineSearch: 22 17:56:34 -89.460915 0.000131 LBFGSLineSearch: 23 17:56:34 -89.460915 0.000045 LBFGSLineSearch: 24 17:56:34 -89.460915 0.000042 LBFGSLineSearch: 25 17:56:35 -89.460915 0.000011 LBFGSLineSearch: 26 17:56:35 -89.460915 0.000003 Minimization converged after 26 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:40 -89.915688 0.032485 LBFGSLineSearch: 1 17:56:41 -89.916242 0.012251 LBFGSLineSearch: 2 17:56:41 -89.916282 0.013414 LBFGSLineSearch: 3 17:56:41 -89.916336 0.011464 LBFGSLineSearch: 4 17:56:41 -89.916411 0.008594 LBFGSLineSearch: 5 17:56:42 -89.916439 0.005258 LBFGSLineSearch: 6 17:56:42 -89.916451 0.002923 LBFGSLineSearch: 7 17:56:42 -89.916454 0.002623 LBFGSLineSearch: 8 17:56:42 -89.916456 0.002236 LBFGSLineSearch: 9 17:56:42 -89.916458 0.002122 LBFGSLineSearch: 10 17:56:43 -89.916460 0.001226 LBFGSLineSearch: 11 17:56:43 -89.916462 0.001422 LBFGSLineSearch: 12 17:56:43 -89.916462 0.001656 LBFGSLineSearch: 13 17:56:43 -89.916464 0.000502 LBFGSLineSearch: 14 17:56:44 -89.916464 0.000473 LBFGSLineSearch: 15 17:56:44 -89.916464 0.000411 LBFGSLineSearch: 16 17:56:44 -89.916464 0.000339 LBFGSLineSearch: 17 17:56:44 -89.916464 0.000328 LBFGSLineSearch: 18 17:56:44 -89.916464 0.000176 LBFGSLineSearch: 19 17:56:45 -89.916464 0.000217 LBFGSLineSearch: 20 17:56:46 -89.916464 0.000165 LBFGSLineSearch: 21 17:56:48 -89.916464 0.000169 LBFGSLineSearch: 22 17:56:49 -89.916464 0.000157 LBFGSLineSearch: 23 17:56:49 -89.916464 0.000130 LBFGSLineSearch: 24 17:56:52 -89.916464 0.000032 LBFGSLineSearch: 25 17:56:52 -89.916464 0.000000 Minimization converged after 25 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:58 -90.372797 0.032595 LBFGSLineSearch: 1 17:56:59 -90.373360 0.012231 LBFGSLineSearch: 2 17:56:59 -90.373404 0.013595 LBFGSLineSearch: 3 17:57:00 -90.373459 0.011738 LBFGSLineSearch: 4 17:57:00 -90.373538 0.008811 LBFGSLineSearch: 5 17:57:02 -90.373568 0.005466 LBFGSLineSearch: 6 17:57:02 -90.373580 0.003081 LBFGSLineSearch: 7 17:57:02 -90.373584 0.002778 LBFGSLineSearch: 8 17:57:03 -90.373586 0.002371 LBFGSLineSearch: 9 17:57:04 -90.373588 0.002238 LBFGSLineSearch: 10 17:57:04 -90.373591 0.001257 LBFGSLineSearch: 11 17:57:06 -90.373593 0.001569 LBFGSLineSearch: 12 17:57:07 -90.373593 0.001849 LBFGSLineSearch: 13 17:57:07 -90.373595 0.000601 LBFGSLineSearch: 14 17:57:08 -90.373595 0.000601 LBFGSLineSearch: 15 17:57:09 -90.373595 0.000521 LBFGSLineSearch: 16 17:57:10 -90.373595 0.000451 LBFGSLineSearch: 17 17:57:10 -90.373595 0.000434 LBFGSLineSearch: 18 17:57:11 -90.373595 0.000433 LBFGSLineSearch: 19 17:57:12 -90.373596 0.000262 LBFGSLineSearch: 20 17:57:12 -90.373596 0.000234 LBFGSLineSearch: 21 17:57:13 -90.373596 0.000202 LBFGSLineSearch: 22 17:57:15 -90.373596 0.000248 LBFGSLineSearch: 23 17:57:17 -90.373596 0.000165 LBFGSLineSearch: 24 17:57:18 -90.373596 0.000063 LBFGSLineSearch: 25 17:57:18 -90.373596 0.000000 Minimization converged after 25 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:24 -90.831535 0.032710 LBFGSLineSearch: 1 17:57:24 -90.832108 0.012211 LBFGSLineSearch: 2 17:57:25 -90.832155 0.013786 LBFGSLineSearch: 3 17:57:25 -90.832212 0.012015 LBFGSLineSearch: 4 17:57:26 -90.832296 0.009052 LBFGSLineSearch: 5 17:57:26 -90.832327 0.005696 LBFGSLineSearch: 6 17:57:27 -90.832341 0.003253 LBFGSLineSearch: 7 17:57:27 -90.832345 0.002949 LBFGSLineSearch: 8 17:57:28 -90.832348 0.002524 LBFGSLineSearch: 9 17:57:28 -90.832349 0.002367 LBFGSLineSearch: 10 17:57:28 -90.832353 0.001285 LBFGSLineSearch: 11 17:57:29 -90.832355 0.001748 LBFGSLineSearch: 12 17:57:29 -90.832356 0.002015 LBFGSLineSearch: 13 17:57:29 -90.832358 0.000650 LBFGSLineSearch: 14 17:57:29 -90.832358 0.000727 LBFGSLineSearch: 15 17:57:30 -90.832358 0.000722 LBFGSLineSearch: 16 17:57:30 -90.832358 0.000556 LBFGSLineSearch: 17 17:57:31 -90.832358 0.000490 LBFGSLineSearch: 18 17:57:31 -90.832359 0.000617 LBFGSLineSearch: 19 17:57:33 -90.832359 0.000299 LBFGSLineSearch: 20 17:57:34 -90.832359 0.000327 LBFGSLineSearch: 21 17:57:34 -90.832359 0.000358 LBFGSLineSearch: 22 17:57:35 -90.832359 0.000254 LBFGSLineSearch: 23 17:57:36 -90.832359 0.000206 LBFGSLineSearch: 24 17:57:36 -90.832359 0.000190 LBFGSLineSearch: 25 17:57:37 -90.832359 0.000163 LBFGSLineSearch: 26 17:57:37 -90.832359 0.000036 LBFGSLineSearch: 27 17:57:38 -90.832359 0.000000 Minimization converged after 27 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:43 -91.291956 0.032828 LBFGSLineSearch: 1 17:57:44 -91.292539 0.012194 LBFGSLineSearch: 2 17:57:45 -91.292590 0.013987 LBFGSLineSearch: 3 17:57:46 -91.292649 0.012295 LBFGSLineSearch: 4 17:57:47 -91.292738 0.009319 LBFGSLineSearch: 5 17:57:47 -91.292772 0.005954 LBFGSLineSearch: 6 17:57:48 -91.292786 0.003449 LBFGSLineSearch: 7 17:57:48 -91.292791 0.003144 LBFGSLineSearch: 8 17:57:49 -91.292794 0.002696 LBFGSLineSearch: 9 17:57:49 -91.292796 0.002513 LBFGSLineSearch: 10 17:57:50 -91.292800 0.001417 LBFGSLineSearch: 11 17:57:51 -91.292803 0.001966 LBFGSLineSearch: 12 17:57:53 -91.292804 0.002169 LBFGSLineSearch: 13 17:57:54 -91.292807 0.000949 LBFGSLineSearch: 14 17:57:55 -91.292807 0.000884 LBFGSLineSearch: 15 17:57:55 -91.292807 0.000836 LBFGSLineSearch: 16 17:57:56 -91.292808 0.000628 LBFGSLineSearch: 17 17:57:56 -91.292808 0.000835 LBFGSLineSearch: 18 17:57:56 -91.292809 0.000488 LBFGSLineSearch: 19 17:57:57 -91.292809 0.000445 LBFGSLineSearch: 20 17:57:57 -91.292809 0.000386 LBFGSLineSearch: 21 17:57:57 -91.292809 0.000341 LBFGSLineSearch: 22 17:57:57 -91.292809 0.000323 LBFGSLineSearch: 23 17:57:58 -91.292809 0.000280 LBFGSLineSearch: 24 17:57:58 -91.292809 0.000197 LBFGSLineSearch: 25 17:57:58 -91.292809 0.000203 LBFGSLineSearch: 26 17:57:58 -91.292809 0.000192 LBFGSLineSearch: 27 17:57:59 -91.292809 0.000000 Minimization converged after 27 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:04 -91.754123 0.032951 LBFGSLineSearch: 1 17:58:05 -91.754715 0.012177 LBFGSLineSearch: 2 17:58:05 -91.754771 0.014201 LBFGSLineSearch: 3 17:58:06 -91.754833 0.012585 LBFGSLineSearch: 4 17:58:06 -91.754928 0.009616 LBFGSLineSearch: 5 17:58:06 -91.754964 0.006246 LBFGSLineSearch: 6 17:58:07 -91.754979 0.003670 LBFGSLineSearch: 7 17:58:07 -91.754985 0.003367 LBFGSLineSearch: 8 17:58:07 -91.754988 0.002895 LBFGSLineSearch: 9 17:58:08 -91.754991 0.002680 LBFGSLineSearch: 10 17:58:08 -91.754996 0.001623 LBFGSLineSearch: 11 17:58:11 -91.754999 0.002237 LBFGSLineSearch: 12 17:58:11 -91.755001 0.002342 LBFGSLineSearch: 13 17:58:12 -91.755005 0.001062 LBFGSLineSearch: 14 17:58:12 -91.755005 0.001131 LBFGSLineSearch: 15 17:58:13 -91.755006 0.000937 LBFGSLineSearch: 16 17:58:13 -91.755006 0.000780 LBFGSLineSearch: 17 17:58:14 -91.755006 0.001277 LBFGSLineSearch: 18 17:58:14 -91.755007 0.001046 LBFGSLineSearch: 19 17:58:15 -91.755008 0.000511 LBFGSLineSearch: 20 17:58:15 -91.755008 0.000616 LBFGSLineSearch: 21 17:58:15 -91.755008 0.000422 LBFGSLineSearch: 22 17:58:16 -91.755008 0.000397 LBFGSLineSearch: 23 17:58:16 -91.755008 0.000229 LBFGSLineSearch: 24 17:58:17 -91.755008 0.000194 LBFGSLineSearch: 25 17:58:17 -91.755008 0.000061 LBFGSLineSearch: 26 17:58:17 -91.755008 0.000000 Minimization converged after 26 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:23 -92.218106 0.033078 LBFGSLineSearch: 1 17:58:23 -92.218709 0.012162 LBFGSLineSearch: 2 17:58:24 -92.218771 0.014429 LBFGSLineSearch: 3 17:58:24 -92.218836 0.012886 LBFGSLineSearch: 4 17:58:25 -92.218937 0.009954 LBFGSLineSearch: 5 17:58:25 -92.218975 0.006506 LBFGSLineSearch: 6 17:58:26 -92.218992 0.003995 LBFGSLineSearch: 7 17:58:27 -92.218999 0.003652 LBFGSLineSearch: 8 17:58:30 -92.219003 0.003305 LBFGSLineSearch: 9 17:58:33 -92.219006 0.002883 LBFGSLineSearch: 10 17:58:34 -92.219013 0.002023 LBFGSLineSearch: 11 17:58:35 -92.219015 0.002059 LBFGSLineSearch: 12 17:58:35 -92.219018 0.002424 LBFGSLineSearch: 13 17:58:36 -92.219020 0.002095 LBFGSLineSearch: 14 17:58:36 -92.219025 0.001218 LBFGSLineSearch: 15 17:58:37 -92.219026 0.001342 LBFGSLineSearch: 16 17:58:37 -92.219027 0.001217 LBFGSLineSearch: 17 17:58:38 -92.219027 0.001001 LBFGSLineSearch: 18 17:58:38 -92.219029 0.001329 LBFGSLineSearch: 19 17:58:38 -92.219029 0.001393 LBFGSLineSearch: 20 17:58:39 -92.219031 0.000613 LBFGSLineSearch: 21 17:58:39 -92.219031 0.000668 LBFGSLineSearch: 22 17:58:41 -92.219031 0.000641 LBFGSLineSearch: 23 17:58:41 -92.219031 0.000559 LBFGSLineSearch: 24 17:58:41 -92.219031 0.000495 LBFGSLineSearch: 25 17:58:42 -92.219031 0.000410 LBFGSLineSearch: 26 17:58:42 -92.219032 0.000280 LBFGSLineSearch: 27 17:58:42 -92.219032 0.000198 LBFGSLineSearch: 28 17:58:42 -92.219032 0.000201 LBFGSLineSearch: 29 17:58:43 -92.219032 0.000089 LBFGSLineSearch: 30 17:58:43 -92.219032 0.000024 LBFGSLineSearch: 31 17:58:43 -92.219032 0.000000 Minimization converged after 31 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:49 -92.683996 0.033212 LBFGSLineSearch: 1 17:58:51 -92.684610 0.012150 LBFGSLineSearch: 2 17:58:51 -92.684677 0.014674 LBFGSLineSearch: 3 17:58:52 -92.684746 0.013203 LBFGSLineSearch: 4 17:58:52 -92.684854 0.010348 LBFGSLineSearch: 5 17:58:53 -92.684896 0.006791 LBFGSLineSearch: 6 17:58:53 -92.684914 0.004390 LBFGSLineSearch: 7 17:58:54 -92.684923 0.004050 LBFGSLineSearch: 8 17:58:54 -92.684927 0.004011 LBFGSLineSearch: 9 17:58:54 -92.684932 0.003217 LBFGSLineSearch: 10 17:58:54 -92.684938 0.002732 LBFGSLineSearch: 11 17:58:55 -92.684943 0.002460 LBFGSLineSearch: 12 17:58:55 -92.684951 0.002848 LBFGSLineSearch: 13 17:58:56 -92.684961 0.002269 LBFGSLineSearch: 14 17:58:56 -92.684962 0.001690 LBFGSLineSearch: 15 17:58:56 -92.684962 0.001840 LBFGSLineSearch: 16 17:58:56 -92.684964 0.001349 LBFGSLineSearch: 17 17:58:57 -92.684967 0.001634 LBFGSLineSearch: 18 17:58:57 -92.684968 0.001777 LBFGSLineSearch: 19 17:58:57 -92.684969 0.001908 LBFGSLineSearch: 20 17:58:57 -92.684971 0.000855 LBFGSLineSearch: 21 17:58:57 -92.684972 0.000713 LBFGSLineSearch: 22 17:58:58 -92.684972 0.000630 LBFGSLineSearch: 23 17:58:58 -92.684972 0.000214 LBFGSLineSearch: 24 17:58:58 -92.684972 0.000192 LBFGSLineSearch: 25 17:58:59 -92.684972 0.000092 LBFGSLineSearch: 26 17:58:59 -92.684972 0.000025 LBFGSLineSearch: 27 17:58:59 -92.684972 0.000000 Minimization converged after 27 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:59:05 -93.151910 0.033353 LBFGSLineSearch: 1 17:59:06 -93.152536 0.012144 LBFGSLineSearch: 2 17:59:06 -93.152610 0.014940 LBFGSLineSearch: 3 17:59:07 -93.152683 0.013541 LBFGSLineSearch: 4 17:59:07 -93.152801 0.010827 LBFGSLineSearch: 5 17:59:07 -93.152846 0.007144 LBFGSLineSearch: 6 17:59:08 -93.152866 0.004896 LBFGSLineSearch: 7 17:59:09 -93.152877 0.004583 LBFGSLineSearch: 8 17:59:09 -93.152882 0.004221 LBFGSLineSearch: 9 17:59:09 -93.152886 0.004078 LBFGSLineSearch: 10 17:59:10 -93.152892 0.003835 LBFGSLineSearch: 11 17:59:10 -93.152906 0.003046 LBFGSLineSearch: 12 17:59:12 -93.152909 0.003109 LBFGSLineSearch: 13 17:59:13 -93.152921 0.002774 LBFGSLineSearch: 14 17:59:14 -93.152925 0.004424 LBFGSLineSearch: 15 17:59:14 -93.152937 0.002223 LBFGSLineSearch: 16 17:59:15 -93.152940 0.002260 LBFGSLineSearch: 17 17:59:15 -93.152942 0.002315 LBFGSLineSearch: 18 17:59:16 -93.152946 0.002534 LBFGSLineSearch: 19 17:59:18 -93.152954 0.002181 LBFGSLineSearch: 20 17:59:21 -93.152956 0.002058 LBFGSLineSearch: 21 17:59:22 -93.152959 0.001099 LBFGSLineSearch: 22 17:59:22 -93.152959 0.001050 LBFGSLineSearch: 23 17:59:23 -93.152960 0.000976 LBFGSLineSearch: 24 17:59:23 -93.152960 0.000812 LBFGSLineSearch: 25 17:59:23 -93.152961 0.000363 LBFGSLineSearch: 26 17:59:24 -93.152961 0.000178 LBFGSLineSearch: 27 17:59:24 -93.152961 0.000140 LBFGSLineSearch: 28 17:59:24 -93.152961 0.000056 LBFGSLineSearch: 29 17:59:24 -93.152961 0.000001 Minimization converged after 29 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:59:29 -93.622035 0.033506 LBFGSLineSearch: 1 17:59:30 -93.622673 0.012146 LBFGSLineSearch: 2 17:59:30 -93.622754 0.015236 LBFGSLineSearch: 3 17:59:31 -93.622833 0.013908 LBFGSLineSearch: 4 17:59:31 -93.622963 0.011450 LBFGSLineSearch: 5 17:59:32 -93.623014 0.007613 LBFGSLineSearch: 6 17:59:32 -93.623035 0.006481 LBFGSLineSearch: 7 17:59:33 -93.623056 0.005252 LBFGSLineSearch: 8 17:59:34 -93.623064 0.004858 LBFGSLineSearch: 9 17:59:34 -93.623072 0.005081 LBFGSLineSearch: 10 17:59:35 -93.623097 0.004230 LBFGSLineSearch: 11 17:59:35 -93.623113 0.005384 LBFGSLineSearch: 12 17:59:36 -93.623128 0.004625 LBFGSLineSearch: 13 17:59:36 -93.623168 0.003877 LBFGSLineSearch: 14 17:59:37 -93.623169 0.003979 LBFGSLineSearch: 15 17:59:37 -93.623184 0.003663 LBFGSLineSearch: 16 17:59:38 -93.623187 0.003740 LBFGSLineSearch: 17 17:59:38 -93.623213 0.003258 LBFGSLineSearch: 18 17:59:39 -93.623216 0.003223 LBFGSLineSearch: 19 17:59:39 -93.623220 0.002847 LBFGSLineSearch: 20 17:59:39 -93.623226 0.001517 LBFGSLineSearch: 21 17:59:40 -93.623227 0.001282 LBFGSLineSearch: 22 17:59:40 -93.623227 0.001250 LBFGSLineSearch: 23 17:59:40 -93.623227 0.001160 LBFGSLineSearch: 24 17:59:41 -93.623229 0.000097 LBFGSLineSearch: 25 17:59:41 -93.623229 0.000095 LBFGSLineSearch: 26 17:59:42 -93.623229 0.000081 LBFGSLineSearch: 27 17:59:42 -93.623229 0.000000 Minimization converged after 27 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:59:48 -94.094784 0.033682 LBFGSLineSearch: 1 17:59:49 -94.095436 0.012171 LBFGSLineSearch: 2 17:59:49 -94.095526 0.015593 LBFGSLineSearch: 3 17:59:50 -94.095612 0.014323 LBFGSLineSearch: 4 17:59:50 -94.095761 0.012398 LBFGSLineSearch: 5 17:59:51 -94.095822 0.008349 LBFGSLineSearch: 6 17:59:51 -94.095845 0.009020 LBFGSLineSearch: 7 17:59:52 -94.095885 0.006973 LBFGSLineSearch: 8 17:59:52 -94.095903 0.007328 LBFGSLineSearch: 9 17:59:52 -94.095911 0.007209 LBFGSLineSearch: 10 17:59:53 -94.095925 0.009290 LBFGSLineSearch: 11 17:59:53 -94.095978 0.006816 LBFGSLineSearch: 12 17:59:54 -94.095992 0.007644 LBFGSLineSearch: 13 17:59:54 -94.096018 0.014490 LBFGSLineSearch: 14 17:59:55 -94.096103 0.008012 LBFGSLineSearch: 15 17:59:55 -94.096132 0.012448 LBFGSLineSearch: 16 17:59:56 -94.096241 0.007805 LBFGSLineSearch: 17 17:59:56 -94.096276 0.009917 LBFGSLineSearch: 18 17:59:56 -94.096301 0.012548 LBFGSLineSearch: 19 17:59:57 -94.121217 0.097506 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 19 steps. Final forces: [[-2.01479038e-02 -9.16283895e-02 2.76877347e-02] [ 2.01479038e-02 -9.16283895e-02 -2.76877347e-02] [ 2.01479038e-02 9.16283895e-02 -2.76877347e-02] [-2.01479038e-02 9.16283895e-02 2.76877347e-02] [-2.03998022e-18 9.69676216e-02 -2.05445345e-18] [ 2.03998022e-18 -9.69676216e-02 2.05445345e-18] [ 2.15662781e-02 -7.77065814e-03 -4.94091917e-02] [-2.15662781e-02 -7.77065814e-03 4.94091917e-02] [-2.15662781e-02 7.77065814e-03 4.94091917e-02] [ 2.15662781e-02 7.77065814e-03 -4.94091917e-02] [-3.11827619e-02 -3.36875042e-02 -2.92533963e-02] [ 3.11827619e-02 -3.36875042e-02 2.92533963e-02] [ 3.11827619e-02 3.36875042e-02 2.92533963e-02] [-3.11827619e-02 3.36875042e-02 -2.92533963e-02]] Final stress: [1.48034998e-01 1.45845905e-01 1.52530548e-01 3.96424659e-18 5.02647166e-03 1.09742012e-18] Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:02 -94.606997 0.113319 LBFGSLineSearch: 1 18:00:02 -94.614311 0.127133 LBFGSLineSearch: 2 18:00:03 -94.623814 0.177932 LBFGSLineSearch: 3 18:00:03 -94.798766 0.823071 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 3 steps. Final forces: [[ 9.13261396e-02 -9.07050721e-02 -8.00982766e-01] [-9.13261396e-02 -9.07050721e-02 8.00982766e-01] [-9.13261396e-02 9.07050721e-02 8.00982766e-01] [ 9.13261396e-02 9.07050721e-02 -8.00982766e-01] [ 1.03330825e-17 1.66769580e-01 -2.31431509e-17] [-1.03330825e-17 -1.66769580e-01 2.31431509e-17] [ 4.20211567e-02 1.11718981e-01 1.89949636e-01] [-4.20211567e-02 1.11718981e-01 -1.89949636e-01] [-4.20211567e-02 -1.11718981e-01 -1.89949636e-01] [ 4.20211567e-02 -1.11718981e-01 1.89949636e-01] [ 1.86326413e-01 -4.61736069e-02 2.31594205e-01] [-1.86326413e-01 -4.61736069e-02 -2.31594205e-01] [-1.86326413e-01 4.61736069e-02 -2.31594205e-01] [ 1.86326413e-01 4.61736069e-02 2.31594205e-01]] Final stress: [ 1.49449429e-01 1.67163126e-01 1.43805874e-01 -6.31051644e-16 1.91701319e-02 1.54010502e-17] Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:09 -95.313118 0.811259 LBFGSLineSearch: 1 18:00:09 -95.440560 0.413194 LBFGSLineSearch: 2 18:00:09 -95.539882 0.440324 LBFGSLineSearch: 3 18:00:09 -95.629391 0.663614 LBFGSLineSearch: 4 18:00:09 -95.745127 1.050516 LBFGSLineSearch: 5 18:00:10 -95.997823 0.922714 LBFGSLineSearch: 6 18:00:10 -96.153274 0.811610 LBFGSLineSearch: 7 18:00:10 -96.395147 0.602793 LBFGSLineSearch: 8 18:00:11 -96.477915 0.621367 LBFGSLineSearch: 9 18:00:11 -96.720520 0.526631 LBFGSLineSearch: 10 18:00:11 -96.834822 0.598752 LBFGSLineSearch: 11 18:00:12 -96.906843 0.645034 LBFGSLineSearch: 12 18:00:12 -97.008357 0.543173 LBFGSLineSearch: 13 18:00:13 -97.085988 0.406054 LBFGSLineSearch: 14 18:00:13 -97.144823 0.383425 LBFGSLineSearch: 15 18:00:14 -97.176284 0.363336 LBFGSLineSearch: 16 18:00:14 -97.206353 0.289137 LBFGSLineSearch: 17 18:00:15 -97.237398 0.239669 LBFGSLineSearch: 18 18:00:15 -97.252987 0.238977 LBFGSLineSearch: 19 18:00:15 -97.267846 0.214212 LBFGSLineSearch: 20 18:00:15 -97.276628 0.187962 LBFGSLineSearch: 21 18:00:15 -97.287142 0.205025 LBFGSLineSearch: 22 18:00:16 -97.307111 0.145043 LBFGSLineSearch: 23 18:00:16 -97.316146 0.128105 LBFGSLineSearch: 24 18:00:16 -97.319353 0.102437 LBFGSLineSearch: 25 18:00:17 -98.000659 1.891833 LBFGSLineSearch: 26 18:00:18 -98.001696 1.945811 LBFGSLineSearch: 27 18:00:18 -98.913300 2.466591 LBFGSLineSearch: 28 18:00:19 -99.204646 2.443387 LBFGSLineSearch: 29 18:00:19 -99.902470 2.302770 LBFGSLineSearch: 30 18:00:19 -100.365181 1.609440 LBFGSLineSearch: 31 18:00:19 -101.097169 1.873232 LBFGSLineSearch: 32 18:00:19 -101.702956 2.743077 LBFGSLineSearch: 33 18:00:20 -103.486264 5.704004 LBFGSLineSearch: 34 18:00:20 -109.004047 2.765367 LBFGSLineSearch: 35 18:00:21 -109.591402 3.137151 LBFGSLineSearch: 36 18:00:21 -119.084031 5.798604 LBFGSLineSearch: 37 18:00:21 -120.515370 11.606617 Failed to get energy or crystal structure at pressure -25.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')