Model name? MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_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": "A3B7_hP20_186_c_b2c" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 6.722746703360279, "source-unit": "angstrom", "si-unit": "m", "si-value": 6.72274670336028e-10 }, "parameter-names": { "source-value": [ "c/a", "z1", "x2", "z2", "x3", "z3", "x4", "z4" ] }, "parameter-values": { "source-value": [ 0.7123130202753672, 0.8954483686894856, 0.18392789582716262, 0.6995040012199647, 0.8760660446275745, 0.5694267293915165, 0.5460267386696543, 0.9141616659626095 ] }, "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_301947847048_000" ] ] }, "coordinates-file": { "source-value": "instance-1.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-1.poscar" }, "meta": { "uuid": "TE_468360230576_003-and-MO_856956178669_002-1753137226-tr", "path": "tr/TE_468360230576_003-and-MO_856956178669_002-1753137226-tr", "type": "tr", "_id": "TE_468360230576_003-and-MO_856956178669_002-1753137226-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_003", "short-id": "TE_468360230576_003", "kimid-prefix": "EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe", "kimid-typecode": "te", "kimid-number": "468360230576", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe", "type": "te", "kimnum": "468360230576", "version": 3, "shortcode": "TE_468360230576", "kimcode": "EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_003", "path": "te/EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_003", "approved": true, "_id": "EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_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 A3B7_hP20_186_c_b2c 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 A3B7_hP20_186_c_b2c at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guess for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation is used:\na (angstrom): 7.381, c/a: 0.60928059, z1: 0.88950387, x2: 0.18622834, z2: 0.68382584, x3: 0.54203935, z3: 0.8963373, x4: 0.12643743, z4: 0.10491075, obtained from OpenKIM Reference Data item RD_301947847048_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-07-21 22:27:27.908516" }, "subject": { "extended-id": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "short-id": "MO_856956178669_002", "kimid-prefix": "MEAM_LAMMPS_Lee_2006_FeC", "kimid-typecode": "mo", "kimid-number": "856956178669", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS_Lee_2006_FeC", "type": "mo", "kimnum": "856956178669", "version": 2, "shortcode": "MO_856956178669", "kimcode": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "path": "mo/MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "approved": true, "_id": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "makeable": true, "subject": true, "driver": { "extended-id": "MEAM_LAMMPS__MD_249792265679_002", "short-id": "MD_249792265679_002", "kimid-prefix": "MEAM_LAMMPS", "kimid-typecode": "md", "kimid-number": "249792265679", "kimid-version": "002", "kimid-version-as-integer": 2, "name": "MEAM_LAMMPS", "type": "md", "kimnum": "249792265679", "version": 2, "shortcode": "MD_249792265679", "kimcode": "MEAM_LAMMPS__MD_249792265679_002", "path": "md/MEAM_LAMMPS__MD_249792265679_002", "approved": true, "_id": "MEAM_LAMMPS__MD_249792265679_002", "makeable": true, "driver": true, "content-origin": "The model driver is implemented based on the MEAM (`meam`, `meam/spline`, and `meam/sw/spline`) package adapted from the LAMMPS software package and rewritten and updated by Yaser Afshar with performance improvements and extended to include support for an additional cutoff function.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.org", "contributor-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "description": "The modified embedded atom method potential (MEAM)[1,2,3,4] model driver. The driver is written in C++ and implements three styles of modified embedded atom method (MEAM) potentials, `meam`, `meam/spline`, and `meam/sw/spline`. The style of the potential is automatically detected based on the input files to the driver. The input files are ASCII text files formatted to be consistent with the other MD codes that implement MEAM potentials, such as LAMMPS, serial DYNAMO code, and Warp. For any of the three styles mentioned above, the driver expects an element file. Depending on the specific potential style, other files may be required/supplied (a library and/or a parameter file for a `meam` style, and a potential file for a `meam/spline`, or `meam/sw/spline` style.)", "developer": [ "553f9aa4-98a2-477b-852f-a65cd9e1ace3", "05936d64-2312-402a-9873-5b6799e9f6db", "6ee0e203-4072-42b5-97a0-cf937edf5de8", "d5c826b2-1048-431c-bab6-0347f1c80c45", "98b95738-bd12-4464-9ed8-862e8be644e9", "f15f5ddf-8896-4f23-a4de-d96898caab64", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e", "57339548-c8c4-4b8b-a24b-6cecf2787096", "8ae4480b-2d4b-4f8c-b68d-6f8e2101d5a2", "d08eaec4-2289-4e6a-9fc7-c28d98c4156f", "cce68d90-29c8-48fa-a6fd-f806fa6d0f76", "a00983fc-9660-4769-82b0-5b90133a74be" ], "doi": "10.25950/ee5eba52", "domain": "openkim.org", "executables": [], "implementer": [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "a8c5e51f-f163-4842-b527-9ac69c3d33e2", "0f9bf091-9a1c-49e0-b107-a3bcc7d1dfa4", "27a42ac6-f00e-42a8-a1d3-54851ab2d08d", "d95e1403-9d6f-4dd4-ba80-1ccbf94dc75b", "44969c60-361d-4f11-87b8-6a5e35597d34", "741dc3be-59fb-4e5b-8653-c63be9d4ee5d", "e632a391-ea42-4bf6-8737-e71c296a067a" ], "kim-api-version": "2.2", "maintainer-id": "f9afb302-b4eb-4b55-a4e3-676ba64bfb77", "publication-year": "2023", "simulator-potential-compatibility": [ { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/spline" }, { "compatibility": "full", "simulator-name": "LAMMPS", "simulator-potential": "meam/sw/spline" } ], "source-citations": [ { "author": "Baskes, M.I. and Nelson, J.S. and Wright, A.F.", "doi": "10.1103/PhysRevB.40.6085", "journal": "Phys. Rev. B", "pages": "6085--6100", "recordkey": "MD_249792265679_002a", "recordtype": "article", "title": "Semiempirical modified embedded-atom potentials for silicon and germanium", "volume": "40", "year": "1989" }, { "author": "Baskes, M.I.", "doi": "10.1103/PhysRevB.46.2727", "journal": "Phys. Rev. B", "pages": "2727--2742", "recordkey": "MD_249792265679_002b", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom potentials for cubic materials and impurities", "volume": "46", "year": "1992" }, { "author": "Lee, B.J. and Baskes, M.I.", "doi": "10.1103/PhysRevB.62.8564", "journal": "Phys. Rev. B", "pages": "8564--8567", "recordkey": "MD_249792265679_002c", "recordtype": "article", "title": "Second nearest-neighbor modified embedded-atom-method potential", "volume": "62", "year": "2000" }, { "author": "Lenosky, T.J. and Sadigh, B. and Alonso, E. and Bulatov, V.V. and de la Rubia, T.D. and Kim, J. and Voter, A.F. and Kress, J.D.", "doi": "10.1088/0965-0393/8/6/305", "journal": "Model. Simul. Mat. Sci. Eng", "pages": "825--841", "recordkey": "MD_249792265679_002d", "recordtype": "article", "title": "Highly optimized empirical potential model of silicon", "volume": "8", "year": "2000" } ], "title": "The modified embedded atom method (MEAM) potential v002", "created_on": "2024-10-01 20:38:58.516366" }, "content-origin": "http://cmse.postech.ac.kr/home_2nnmeam", "contributor-id": "95e0e2ff-c708-4e28-830e-8655b8198fe1", "description": "A modified embedded-atom method (MEAM) interatomic potential for the Fe\u2013C binary system has been developed using previous MEAM potentials of Fe and C. The potential parameters were determined by fitting to experimental information on the dilute heat of solution of carbon, the vacancy\u2013carbon binding energy and its configuration, the location of interstitial carbon atoms and the migration energy of carbon atoms in body-centered cubic (bcc) Fe, and to a first-principles calculation result for the cohesive energy of a hypothetical NaCl-type FeC. The potential reproduces the known physical properties of carbon as an interstitial solute element in bcc Fe and face-centered cubic Fe very well.", "developer": [ "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/bc256b3a", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "95e0e2ff-c708-4e28-830e-8655b8198fe1", "model-driver": "MEAM_LAMMPS__MD_249792265679_002", "potential-type": "meam", "publication-year": "2023", "source-citations": [ { "author": "Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2005.09.034", "journal": "Acta materialia", "number": "3", "pages": "701--711", "publisher": "Elsevier", "recordkey": "MO_856956178669_002a", "recordprimary": "recordprimary", "recordtype": "article", "title": "A modified embedded-atom method interatomic potential for the {F}e--{C} system", "volume": "54", "year": "2006" } ], "species": [ "Fe", "C" ], "title": "MEAM Potential for the Fe-C system developed by Lee (2008) v002", "created_on": "2023-05-09 18:57:11.792419" }, "test": "EquilibriumCrystalStructure_A3B7_hP20_186_c_b2c_CFe__TE_468360230576_003", "model": "MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_002", "domain": "openkim.org", "test-result-id": "TE_468360230576_003-and-MO_856956178669_002-1753137226-tr", "created_on": "2025-07-21 23:13:25.700247", "dependencies": [] }, "created_on": "2025-07-21 23:13:25.700247", "inserted_on": "2025-07-21 23:18:54.154787", "latest": true } ] NOTE: The configuration you provided has a maximum force component 2.1018031574837615e-05 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:48 -103.597906 0.029250 LBFGSLineSearch: 1 01:55:48 -103.598136 0.040473 LBFGSLineSearch: 2 01:55:49 -103.598304 0.015375 LBFGSLineSearch: 3 01:55:49 -103.598342 0.015659 LBFGSLineSearch: 4 01:55:49 -103.598389 0.015066 LBFGSLineSearch: 5 01:55:50 -103.598441 0.009398 LBFGSLineSearch: 6 01:55:50 -103.598465 0.004339 LBFGSLineSearch: 7 01:55:50 -103.598467 0.003236 LBFGSLineSearch: 8 01:55:51 -103.598471 0.003222 LBFGSLineSearch: 9 01:55:51 -103.598473 0.002625 LBFGSLineSearch: 10 01:55:52 -103.598475 0.001986 LBFGSLineSearch: 11 01:55:52 -103.598477 0.002195 LBFGSLineSearch: 12 01:55:52 -103.598480 0.003942 LBFGSLineSearch: 13 01:55:53 -103.598483 0.000038 LBFGSLineSearch: 14 01:55:53 -103.598483 0.000000 Minimization converged after 14 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:59 -103.526993 0.003574 LBFGSLineSearch: 1 01:56:00 -103.526996 0.004934 LBFGSLineSearch: 2 01:56:00 -103.526999 0.001877 LBFGSLineSearch: 3 01:56:00 -103.526999 0.001905 LBFGSLineSearch: 4 01:56:01 -103.527000 0.001788 LBFGSLineSearch: 5 01:56:01 -103.527001 0.001111 LBFGSLineSearch: 6 01:56:01 -103.527001 0.000453 LBFGSLineSearch: 7 01:56:02 -103.527001 0.000328 LBFGSLineSearch: 8 01:56:02 -103.527001 0.000471 LBFGSLineSearch: 9 01:56:02 -103.527001 0.000234 LBFGSLineSearch: 10 01:56:03 -103.527001 0.000295 LBFGSLineSearch: 11 01:56:03 -103.527001 0.000046 LBFGSLineSearch: 12 01:56:03 -103.527001 0.000000 Minimization converged after 12 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:10 -103.446775 0.004011 LBFGSLineSearch: 1 01:56:10 -103.446780 0.005517 LBFGSLineSearch: 2 01:56:11 -103.446783 0.002103 LBFGSLineSearch: 3 01:56:11 -103.446783 0.002135 LBFGSLineSearch: 4 01:56:11 -103.446784 0.002002 LBFGSLineSearch: 5 01:56:11 -103.446785 0.001245 LBFGSLineSearch: 6 01:56:12 -103.446786 0.000509 LBFGSLineSearch: 7 01:56:12 -103.446786 0.000382 LBFGSLineSearch: 8 01:56:12 -103.446786 0.000526 LBFGSLineSearch: 9 01:56:13 -103.446786 0.000264 LBFGSLineSearch: 10 01:56:13 -103.446786 0.000328 LBFGSLineSearch: 11 01:56:14 -103.446786 0.000067 LBFGSLineSearch: 12 01:56:14 -103.446786 0.000000 Minimization converged after 12 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:20 -103.356759 0.004501 LBFGSLineSearch: 1 01:56:20 -103.356765 0.006166 LBFGSLineSearch: 2 01:56:21 -103.356769 0.002356 LBFGSLineSearch: 3 01:56:21 -103.356770 0.002392 LBFGSLineSearch: 4 01:56:21 -103.356771 0.002241 LBFGSLineSearch: 5 01:56:22 -103.356772 0.001395 LBFGSLineSearch: 6 01:56:22 -103.356772 0.000572 LBFGSLineSearch: 7 01:56:23 -103.356773 0.000445 LBFGSLineSearch: 8 01:56:23 -103.356773 0.000586 LBFGSLineSearch: 9 01:56:23 -103.356773 0.000296 LBFGSLineSearch: 10 01:56:23 -103.356773 0.000366 LBFGSLineSearch: 11 01:56:24 -103.356773 0.000096 LBFGSLineSearch: 12 01:56:24 -103.356773 0.000014 LBFGSLineSearch: 13 01:56:24 -103.356773 0.000000 Minimization converged after 13 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:30 -103.255752 0.005051 LBFGSLineSearch: 1 01:56:30 -103.255759 0.006887 LBFGSLineSearch: 2 01:56:31 -103.255764 0.002638 LBFGSLineSearch: 3 01:56:31 -103.255765 0.002679 LBFGSLineSearch: 4 01:56:32 -103.255766 0.002508 LBFGSLineSearch: 5 01:56:32 -103.255767 0.001563 LBFGSLineSearch: 6 01:56:32 -103.255768 0.000642 LBFGSLineSearch: 7 01:56:33 -103.255768 0.000518 LBFGSLineSearch: 8 01:56:33 -103.255768 0.000652 LBFGSLineSearch: 9 01:56:34 -103.255768 0.000332 LBFGSLineSearch: 10 01:56:34 -103.255768 0.000407 LBFGSLineSearch: 11 01:56:34 -103.255769 0.000139 LBFGSLineSearch: 12 01:56:34 -103.255769 0.000004 Minimization converged after 12 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:40 -103.142414 0.005667 LBFGSLineSearch: 1 01:56:41 -103.142423 0.007697 LBFGSLineSearch: 2 01:56:41 -103.142429 0.002941 LBFGSLineSearch: 3 01:56:41 -103.142431 0.003000 LBFGSLineSearch: 4 01:56:41 -103.142432 0.002791 LBFGSLineSearch: 5 01:56:42 -103.142434 0.001748 LBFGSLineSearch: 6 01:56:42 -103.142435 0.000721 LBFGSLineSearch: 7 01:56:42 -103.142435 0.000601 LBFGSLineSearch: 8 01:56:42 -103.142435 0.000728 LBFGSLineSearch: 9 01:56:43 -103.142435 0.000371 LBFGSLineSearch: 10 01:56:43 -103.142435 0.000451 LBFGSLineSearch: 11 01:56:43 -103.142436 0.000201 LBFGSLineSearch: 12 01:56:43 -103.142436 0.000008 Minimization converged after 12 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:50 -103.015248 0.006358 LBFGSLineSearch: 1 01:56:50 -103.015259 0.008596 LBFGSLineSearch: 2 01:56:50 -103.015266 0.003278 LBFGSLineSearch: 3 01:56:50 -103.015268 0.003358 LBFGSLineSearch: 4 01:56:51 -103.015270 0.003103 LBFGSLineSearch: 5 01:56:51 -103.015273 0.001955 LBFGSLineSearch: 6 01:56:51 -103.015274 0.000810 LBFGSLineSearch: 7 01:56:51 -103.015274 0.000693 LBFGSLineSearch: 8 01:56:51 -103.015274 0.000814 LBFGSLineSearch: 9 01:56:52 -103.015274 0.000416 LBFGSLineSearch: 10 01:56:52 -103.015274 0.000498 LBFGSLineSearch: 11 01:56:52 -103.015274 0.000285 LBFGSLineSearch: 12 01:56:53 -103.015274 0.000019 LBFGSLineSearch: 13 01:56:53 -103.015274 0.000000 Minimization converged after 13 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:59 -102.872571 0.007135 LBFGSLineSearch: 1 01:57:00 -102.872585 0.009556 LBFGSLineSearch: 2 01:57:00 -102.872594 0.003698 LBFGSLineSearch: 3 01:57:00 -102.872596 0.003757 LBFGSLineSearch: 4 01:57:00 -102.872599 0.003507 LBFGSLineSearch: 5 01:57:00 -102.872602 0.002192 LBFGSLineSearch: 6 01:57:00 -102.872603 0.000912 LBFGSLineSearch: 7 01:57:00 -102.872604 0.000788 LBFGSLineSearch: 8 01:57:00 -102.872604 0.000879 LBFGSLineSearch: 9 01:57:01 -102.872604 0.000509 LBFGSLineSearch: 10 01:57:01 -102.872604 0.000534 LBFGSLineSearch: 11 01:57:01 -102.872604 0.000715 LBFGSLineSearch: 12 01:57:01 -102.872604 0.000008 Minimization converged after 12 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:08 -102.712500 0.008007 LBFGSLineSearch: 1 01:57:08 -102.712518 0.010648 LBFGSLineSearch: 2 01:57:08 -102.712530 0.004129 LBFGSLineSearch: 3 01:57:08 -102.712533 0.004206 LBFGSLineSearch: 4 01:57:08 -102.712536 0.003919 LBFGSLineSearch: 5 01:57:08 -102.712540 0.002425 LBFGSLineSearch: 6 01:57:09 -102.712541 0.001036 LBFGSLineSearch: 7 01:57:09 -102.712542 0.000862 LBFGSLineSearch: 8 01:57:09 -102.712542 0.000869 LBFGSLineSearch: 9 01:57:09 -102.712542 0.000797 LBFGSLineSearch: 10 01:57:09 -102.712542 0.000617 LBFGSLineSearch: 11 01:57:09 -102.712542 0.000564 LBFGSLineSearch: 12 01:57:09 -102.712543 0.000983 LBFGSLineSearch: 13 01:57:09 -102.712543 0.000039 LBFGSLineSearch: 14 01:57:09 -102.712543 0.000000 Minimization converged after 14 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:15 -102.532927 0.008981 LBFGSLineSearch: 1 01:57:15 -102.532949 0.011829 LBFGSLineSearch: 2 01:57:16 -102.532964 0.004621 LBFGSLineSearch: 3 01:57:16 -102.532967 0.004698 LBFGSLineSearch: 4 01:57:16 -102.532971 0.004373 LBFGSLineSearch: 5 01:57:16 -102.532976 0.002741 LBFGSLineSearch: 6 01:57:17 -102.532978 0.001154 LBFGSLineSearch: 7 01:57:17 -102.532978 0.000952 LBFGSLineSearch: 8 01:57:17 -102.532979 0.000980 LBFGSLineSearch: 9 01:57:18 -102.532979 0.000903 LBFGSLineSearch: 10 01:57:18 -102.532979 0.000731 LBFGSLineSearch: 11 01:57:18 -102.532979 0.000728 LBFGSLineSearch: 12 01:57:19 -102.532980 0.000532 LBFGSLineSearch: 13 01:57:19 -102.532980 0.000024 LBFGSLineSearch: 14 01:57:19 -102.532980 0.000000 Minimization converged after 14 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:26 -102.331486 0.010075 LBFGSLineSearch: 1 01:57:26 -102.331515 0.013135 LBFGSLineSearch: 2 01:57:26 -102.331533 0.005162 LBFGSLineSearch: 3 01:57:26 -102.331537 0.005251 LBFGSLineSearch: 4 01:57:27 -102.331542 0.004879 LBFGSLineSearch: 5 01:57:27 -102.331548 0.003063 LBFGSLineSearch: 6 01:57:27 -102.331551 0.001299 LBFGSLineSearch: 7 01:57:27 -102.331551 0.001039 LBFGSLineSearch: 8 01:57:28 -102.331551 0.001034 LBFGSLineSearch: 9 01:57:28 -102.331552 0.001131 LBFGSLineSearch: 10 01:57:28 -102.331552 0.000796 LBFGSLineSearch: 11 01:57:28 -102.331552 0.000731 LBFGSLineSearch: 12 01:57:29 -102.331552 0.000971 LBFGSLineSearch: 13 01:57:29 -102.331553 0.000389 LBFGSLineSearch: 14 01:57:29 -102.331553 0.000009 Minimization converged after 14 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:35 -102.105533 0.011305 LBFGSLineSearch: 1 01:57:35 -102.105569 0.014577 LBFGSLineSearch: 2 01:57:36 -102.105592 0.005763 LBFGSLineSearch: 3 01:57:36 -102.105597 0.005874 LBFGSLineSearch: 4 01:57:36 -102.105603 0.005414 LBFGSLineSearch: 5 01:57:36 -102.105611 0.003440 LBFGSLineSearch: 6 01:57:36 -102.105614 0.001447 LBFGSLineSearch: 7 01:57:36 -102.105614 0.001231 LBFGSLineSearch: 8 01:57:36 -102.105614 0.001352 LBFGSLineSearch: 9 01:57:36 -102.105615 0.000938 LBFGSLineSearch: 10 01:57:36 -102.105615 0.001002 LBFGSLineSearch: 11 01:57:37 -102.105615 0.000916 LBFGSLineSearch: 12 01:57:37 -102.105616 0.000005 Minimization converged after 12 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:43 -101.852104 0.012674 LBFGSLineSearch: 1 01:57:44 -101.852151 0.016101 LBFGSLineSearch: 2 01:57:44 -101.852178 0.006433 LBFGSLineSearch: 3 01:57:44 -101.852185 0.006541 LBFGSLineSearch: 4 01:57:44 -101.852193 0.006074 LBFGSLineSearch: 5 01:57:45 -101.852201 0.003799 LBFGSLineSearch: 6 01:57:45 -101.852205 0.001655 LBFGSLineSearch: 7 01:57:45 -101.852206 0.001449 LBFGSLineSearch: 8 01:57:45 -101.852206 0.001490 LBFGSLineSearch: 9 01:57:46 -101.852207 0.000952 LBFGSLineSearch: 10 01:57:46 -101.852207 0.001030 LBFGSLineSearch: 11 01:57:46 -101.852207 0.001112 LBFGSLineSearch: 12 01:57:46 -101.852208 0.000012 LBFGSLineSearch: 13 01:57:47 -101.852208 0.000000 Minimization converged after 13 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:53 -101.567885 0.014216 LBFGSLineSearch: 1 01:57:53 -101.567943 0.017782 LBFGSLineSearch: 2 01:57:53 -101.567977 0.007165 LBFGSLineSearch: 3 01:57:54 -101.567986 0.007299 LBFGSLineSearch: 4 01:57:54 -101.567995 0.006739 LBFGSLineSearch: 5 01:57:54 -101.568006 0.004252 LBFGSLineSearch: 6 01:57:54 -101.568011 0.001859 LBFGSLineSearch: 7 01:57:55 -101.568012 0.001575 LBFGSLineSearch: 8 01:57:55 -101.568012 0.001690 LBFGSLineSearch: 9 01:57:55 -101.568013 0.001038 LBFGSLineSearch: 10 01:57:55 -101.568013 0.001208 LBFGSLineSearch: 11 01:57:56 -101.568014 0.001133 LBFGSLineSearch: 12 01:57:56 -101.568015 0.000020 LBFGSLineSearch: 13 01:57:56 -101.568015 0.000000 Minimization converged after 13 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:02 -101.249165 0.015943 LBFGSLineSearch: 1 01:58:03 -101.249240 0.019573 LBFGSLineSearch: 2 01:58:03 -101.249281 0.007979 LBFGSLineSearch: 3 01:58:03 -101.249291 0.008133 LBFGSLineSearch: 4 01:58:04 -101.249304 0.007490 LBFGSLineSearch: 5 01:58:04 -101.249317 0.004733 LBFGSLineSearch: 6 01:58:04 -101.249323 0.002098 LBFGSLineSearch: 7 01:58:05 -101.249323 0.001703 LBFGSLineSearch: 8 01:58:05 -101.249324 0.001883 LBFGSLineSearch: 9 01:58:05 -101.249325 0.001162 LBFGSLineSearch: 10 01:58:05 -101.249326 0.001389 LBFGSLineSearch: 11 01:58:06 -101.249326 0.001213 LBFGSLineSearch: 12 01:58:06 -101.249328 0.000039 LBFGSLineSearch: 13 01:58:06 -101.249328 0.000000 Minimization converged after 13 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:13 -100.891796 0.017877 LBFGSLineSearch: 1 01:58:13 -100.891892 0.021471 LBFGSLineSearch: 2 01:58:13 -100.891942 0.008877 LBFGSLineSearch: 3 01:58:13 -100.891955 0.009052 LBFGSLineSearch: 4 01:58:14 -100.891970 0.008313 LBFGSLineSearch: 5 01:58:14 -100.891987 0.005260 LBFGSLineSearch: 6 01:58:14 -100.891994 0.002371 LBFGSLineSearch: 7 01:58:15 -100.891995 0.001827 LBFGSLineSearch: 8 01:58:15 -100.891996 0.002098 LBFGSLineSearch: 9 01:58:16 -100.891997 0.001297 LBFGSLineSearch: 10 01:58:16 -100.891998 0.001599 LBFGSLineSearch: 11 01:58:16 -100.891998 0.001295 LBFGSLineSearch: 12 01:58:17 -100.892000 0.000077 LBFGSLineSearch: 13 01:58:17 -100.892000 0.000000 Minimization converged after 13 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:23 -100.491142 0.020043 LBFGSLineSearch: 1 01:58:23 -100.491264 0.023452 LBFGSLineSearch: 2 01:58:23 -100.491324 0.009863 LBFGSLineSearch: 3 01:58:23 -100.491341 0.010063 LBFGSLineSearch: 4 01:58:24 -100.491360 0.009213 LBFGSLineSearch: 5 01:58:24 -100.491380 0.005834 LBFGSLineSearch: 6 01:58:24 -100.491389 0.002681 LBFGSLineSearch: 7 01:58:25 -100.491390 0.001947 LBFGSLineSearch: 8 01:58:25 -100.491391 0.002287 LBFGSLineSearch: 9 01:58:25 -100.491392 0.001780 LBFGSLineSearch: 10 01:58:26 -100.491393 0.001657 LBFGSLineSearch: 11 01:58:26 -100.491394 0.001357 LBFGSLineSearch: 12 01:58:27 -100.491396 0.001083 LBFGSLineSearch: 13 01:58:27 -100.491397 0.000390 LBFGSLineSearch: 14 01:58:27 -100.491397 0.000034 LBFGSLineSearch: 15 01:58:28 -100.491397 0.000015 LBFGSLineSearch: 16 01:58:28 -100.491397 0.000000 Minimization converged after 16 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:35 -100.042019 0.022469 LBFGSLineSearch: 1 01:58:35 -100.042176 0.025479 LBFGSLineSearch: 2 01:58:35 -100.042248 0.010945 LBFGSLineSearch: 3 01:58:36 -100.042270 0.011170 LBFGSLineSearch: 4 01:58:36 -100.042292 0.010192 LBFGSLineSearch: 5 01:58:36 -100.042317 0.006453 LBFGSLineSearch: 6 01:58:37 -100.042328 0.003035 LBFGSLineSearch: 7 01:58:37 -100.042329 0.002068 LBFGSLineSearch: 8 01:58:38 -100.042330 0.002483 LBFGSLineSearch: 9 01:58:38 -100.042332 0.002526 LBFGSLineSearch: 10 01:58:38 -100.042333 0.001786 LBFGSLineSearch: 11 01:58:39 -100.042335 0.001459 LBFGSLineSearch: 12 01:58:39 -100.042338 0.000100 LBFGSLineSearch: 13 01:58:39 -100.042338 0.000031 LBFGSLineSearch: 14 01:58:40 -100.042338 0.000000 Minimization converged after 14 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:46 -99.538641 0.025185 LBFGSLineSearch: 1 01:58:46 -99.538843 0.027492 LBFGSLineSearch: 2 01:58:47 -99.538927 0.012126 LBFGSLineSearch: 3 01:58:47 -99.538955 0.012375 LBFGSLineSearch: 4 01:58:48 -99.538983 0.011252 LBFGSLineSearch: 5 01:58:48 -99.539014 0.007114 LBFGSLineSearch: 6 01:58:48 -99.539027 0.003438 LBFGSLineSearch: 7 01:58:49 -99.539027 0.002385 LBFGSLineSearch: 8 01:58:49 -99.539029 0.002723 LBFGSLineSearch: 9 01:58:49 -99.539030 0.002855 LBFGSLineSearch: 10 01:58:49 -99.539033 0.002109 LBFGSLineSearch: 11 01:58:50 -99.539035 0.001584 LBFGSLineSearch: 12 01:58:50 -99.539038 0.000080 LBFGSLineSearch: 13 01:58:50 -99.539038 0.000000 Minimization converged after 13 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:57 -98.974547 0.028224 LBFGSLineSearch: 1 01:58:57 -98.974807 0.029402 LBFGSLineSearch: 2 01:58:57 -98.974905 0.013411 LBFGSLineSearch: 3 01:58:58 -98.974941 0.013677 LBFGSLineSearch: 4 01:58:58 -98.974975 0.012388 LBFGSLineSearch: 5 01:58:58 -98.975012 0.007804 LBFGSLineSearch: 6 01:58:58 -98.975027 0.003898 LBFGSLineSearch: 7 01:58:59 -98.975028 0.003264 LBFGSLineSearch: 8 01:58:59 -98.975029 0.003001 LBFGSLineSearch: 9 01:59:00 -98.975032 0.002901 LBFGSLineSearch: 10 01:59:00 -98.975034 0.002885 LBFGSLineSearch: 11 01:59:01 -98.975037 0.002385 LBFGSLineSearch: 12 01:59:01 -98.975039 0.001958 LBFGSLineSearch: 13 01:59:01 -98.975041 0.000997 LBFGSLineSearch: 14 01:59:02 -98.975042 0.000031 LBFGSLineSearch: 15 01:59:02 -98.975042 0.000000 Minimization converged after 15 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:09 -98.342530 0.031626 LBFGSLineSearch: 1 01:59:09 -98.342865 0.031055 LBFGSLineSearch: 2 01:59:10 -98.342978 0.014806 LBFGSLineSearch: 3 01:59:10 -98.343023 0.015069 LBFGSLineSearch: 4 01:59:10 -98.343065 0.013597 LBFGSLineSearch: 5 01:59:11 -98.343109 0.008502 LBFGSLineSearch: 6 01:59:11 -98.343127 0.004418 LBFGSLineSearch: 7 01:59:11 -98.343128 0.003637 LBFGSLineSearch: 8 01:59:12 -98.343130 0.003284 LBFGSLineSearch: 9 01:59:12 -98.343133 0.003145 LBFGSLineSearch: 10 01:59:12 -98.343136 0.003612 LBFGSLineSearch: 11 01:59:13 -98.343140 0.002716 LBFGSLineSearch: 12 01:59:13 -98.343142 0.002087 LBFGSLineSearch: 13 01:59:14 -98.343145 0.000696 LBFGSLineSearch: 14 01:59:14 -98.343145 0.000012 LBFGSLineSearch: 15 01:59:14 -98.343145 0.000000 Minimization converged after 15 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:21 -97.634554 0.035430 LBFGSLineSearch: 1 01:59:22 -97.634990 0.032245 LBFGSLineSearch: 2 01:59:22 -97.635115 0.016313 LBFGSLineSearch: 3 01:59:22 -97.635174 0.016526 LBFGSLineSearch: 4 01:59:22 -97.635225 0.014851 LBFGSLineSearch: 5 01:59:23 -97.635277 0.009162 LBFGSLineSearch: 6 01:59:23 -97.635298 0.005001 LBFGSLineSearch: 7 01:59:23 -97.635299 0.004051 LBFGSLineSearch: 8 01:59:24 -97.635301 0.003582 LBFGSLineSearch: 9 01:59:24 -97.635305 0.003383 LBFGSLineSearch: 10 01:59:24 -97.635309 0.004406 LBFGSLineSearch: 11 01:59:24 -97.635315 0.003006 LBFGSLineSearch: 12 01:59:25 -97.635317 0.002074 LBFGSLineSearch: 13 01:59:25 -97.635320 0.000749 LBFGSLineSearch: 14 01:59:25 -97.635320 0.000028 LBFGSLineSearch: 15 01:59:26 -97.635320 0.000000 Minimization converged after 15 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:32 -96.841670 0.039683 LBFGSLineSearch: 1 01:59:33 -96.842239 0.032629 LBFGSLineSearch: 2 01:59:33 -96.842417 0.021551 LBFGSLineSearch: 3 01:59:33 -96.842525 0.007633 LBFGSLineSearch: 4 01:59:34 -96.842553 0.009223 LBFGSLineSearch: 5 01:59:34 -96.842577 0.007549 LBFGSLineSearch: 6 01:59:34 -96.842593 0.003732 LBFGSLineSearch: 7 01:59:34 -96.842597 0.004100 LBFGSLineSearch: 8 01:59:35 -96.842598 0.004842 LBFGSLineSearch: 9 01:59:35 -96.842604 0.003727 LBFGSLineSearch: 10 01:59:35 -96.842611 0.004558 LBFGSLineSearch: 11 01:59:36 -96.842619 0.002963 LBFGSLineSearch: 12 01:59:36 -96.842621 0.001757 LBFGSLineSearch: 13 01:59:36 -96.842623 0.001956 LBFGSLineSearch: 14 01:59:36 -96.842623 0.000880 LBFGSLineSearch: 15 01:59:37 -96.842623 0.000000 Minimization converged after 15 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:44 -95.953917 0.044435 LBFGSLineSearch: 1 01:59:44 -95.954666 0.031679 LBFGSLineSearch: 2 01:59:44 -95.954861 0.023319 LBFGSLineSearch: 3 01:59:45 -95.954990 0.008666 LBFGSLineSearch: 4 01:59:45 -95.955023 0.010355 LBFGSLineSearch: 5 01:59:45 -95.955050 0.008212 LBFGSLineSearch: 6 01:59:46 -95.955068 0.003599 LBFGSLineSearch: 7 01:59:46 -95.955072 0.004550 LBFGSLineSearch: 8 01:59:46 -95.955073 0.005373 LBFGSLineSearch: 9 01:59:47 -95.955081 0.004506 LBFGSLineSearch: 10 01:59:47 -95.955090 0.005378 LBFGSLineSearch: 11 01:59:47 -95.955100 0.002569 LBFGSLineSearch: 12 01:59:48 -95.955103 0.000241 LBFGSLineSearch: 13 01:59:48 -95.955103 0.000020 LBFGSLineSearch: 14 01:59:48 -95.955103 0.000006 Minimization converged after 14 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:54 -94.960223 0.049745 LBFGSLineSearch: 1 01:59:54 -94.961218 0.028483 LBFGSLineSearch: 2 01:59:55 -94.961425 0.024558 LBFGSLineSearch: 3 01:59:55 -94.961578 0.010311 LBFGSLineSearch: 4 01:59:55 -94.961614 0.011688 LBFGSLineSearch: 5 01:59:56 -94.961644 0.008609 LBFGSLineSearch: 6 01:59:56 -94.961660 0.004075 LBFGSLineSearch: 7 01:59:56 -94.961665 0.005071 LBFGSLineSearch: 8 01:59:56 -94.961666 0.005897 LBFGSLineSearch: 9 01:59:57 -94.961677 0.005111 LBFGSLineSearch: 10 01:59:57 -94.961689 0.006004 LBFGSLineSearch: 11 01:59:57 -94.961700 0.001991 LBFGSLineSearch: 12 01:59:58 -94.961701 0.001619 LBFGSLineSearch: 13 01:59:58 -94.961702 0.000837 LBFGSLineSearch: 14 01:59:58 -94.961702 0.000030 LBFGSLineSearch: 15 01:59:58 -94.961702 0.000001 Minimization converged after 15 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:05 -93.848303 0.055670 LBFGSLineSearch: 1 02:00:06 -93.849642 0.023955 LBFGSLineSearch: 2 02:00:06 -93.849860 0.023454 LBFGSLineSearch: 3 02:00:06 -93.850040 0.013835 LBFGSLineSearch: 4 02:00:06 -93.850081 0.012005 LBFGSLineSearch: 5 02:00:07 -93.850112 0.005743 LBFGSLineSearch: 6 02:00:07 -93.850114 0.006344 LBFGSLineSearch: 7 02:00:07 -93.850119 0.004264 LBFGSLineSearch: 8 02:00:08 -93.850143 0.007136 LBFGSLineSearch: 9 02:00:08 -93.850154 0.003741 LBFGSLineSearch: 10 02:00:08 -93.850156 0.001134 LBFGSLineSearch: 11 02:00:09 -93.850156 0.000938 LBFGSLineSearch: 12 02:00:09 -93.850157 0.000721 LBFGSLineSearch: 13 02:00:09 -93.850157 0.000001 Minimization converged after 13 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:16 -92.604571 0.062279 LBFGSLineSearch: 1 02:00:16 -92.606403 0.026930 LBFGSLineSearch: 2 02:00:16 -92.606560 0.025864 LBFGSLineSearch: 3 02:00:16 -92.606799 0.020562 LBFGSLineSearch: 4 02:00:17 -92.606888 0.005106 LBFGSLineSearch: 5 02:00:17 -92.606895 0.006894 LBFGSLineSearch: 6 02:00:17 -92.606898 0.005223 LBFGSLineSearch: 7 02:00:17 -92.606904 0.004702 LBFGSLineSearch: 8 02:00:18 -92.606912 0.008352 LBFGSLineSearch: 9 02:00:18 -92.606938 0.001750 LBFGSLineSearch: 10 02:00:19 -92.606939 0.001720 LBFGSLineSearch: 11 02:00:19 -92.606939 0.000341 LBFGSLineSearch: 12 02:00:20 -92.606939 0.000112 LBFGSLineSearch: 13 02:00:20 -92.606939 0.000115 LBFGSLineSearch: 14 02:00:20 -92.606939 0.000070 LBFGSLineSearch: 15 02:00:21 -92.606939 0.000007 Minimization converged after 15 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:27 -91.214185 0.069640 LBFGSLineSearch: 1 02:00:27 -91.216743 0.029921 LBFGSLineSearch: 2 02:00:27 -91.217192 0.043904 LBFGSLineSearch: 3 02:00:28 -91.224509 0.170051 LBFGSLineSearch: 4 02:00:28 -91.224888 0.241875 LBFGSLineSearch: 5 02:00:28 -91.228013 0.138574 LBFGSLineSearch: 6 02:00:28 -91.234465 0.100848 LBFGSLineSearch: 7 02:00:29 -91.236063 0.040298 LBFGSLineSearch: 8 02:00:29 -91.237590 0.067113 LBFGSLineSearch: 9 02:00:30 -91.238193 0.044457 LBFGSLineSearch: 10 02:00:30 -91.238753 0.036128 LBFGSLineSearch: 11 02:00:30 -91.238881 0.042093 LBFGSLineSearch: 12 02:00:31 -91.239093 0.054698 LBFGSLineSearch: 13 02:00:31 -91.239738 0.072800 LBFGSLineSearch: 14 02:00:31 -91.239942 0.031034 LBFGSLineSearch: 15 02:00:32 -91.240322 0.069795 LBFGSLineSearch: 16 02:00:32 -91.240994 0.035030 LBFGSLineSearch: 17 02:00:33 -91.241760 0.051051 LBFGSLineSearch: 18 02:00:33 -91.242572 0.032514 LBFGSLineSearch: 19 02:00:34 -91.242833 0.016667 LBFGSLineSearch: 20 02:00:34 -91.242875 0.003313 LBFGSLineSearch: 21 02:00:34 -91.242879 0.002316 LBFGSLineSearch: 22 02:00:35 -91.242881 0.001415 LBFGSLineSearch: 23 02:00:35 -91.242881 0.000157 LBFGSLineSearch: 24 02:00:35 -91.242881 0.000067 LBFGSLineSearch: 25 02:00:36 -91.242881 0.000000 Minimization converged after 25 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:42 -89.699158 0.077186 LBFGSLineSearch: 1 02:00:43 -89.700540 0.121674 LBFGSLineSearch: 2 02:00:43 -89.701346 0.035258 LBFGSLineSearch: 3 02:00:43 -89.701665 0.015186 LBFGSLineSearch: 4 02:00:43 -89.701723 0.005831 LBFGSLineSearch: 5 02:00:44 -89.701739 0.006582 LBFGSLineSearch: 6 02:00:44 -89.701756 0.003783 LBFGSLineSearch: 7 02:00:44 -89.701761 0.002256 LBFGSLineSearch: 8 02:00:44 -89.701761 0.002218 LBFGSLineSearch: 9 02:00:44 -89.701762 0.002132 LBFGSLineSearch: 10 02:00:45 -89.701763 0.002059 LBFGSLineSearch: 11 02:00:45 -89.701768 0.000876 LBFGSLineSearch: 12 02:00:45 -89.701769 0.000002 Minimization converged after 12 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:51 -87.974801 0.086349 LBFGSLineSearch: 1 02:00:52 -87.976604 0.126305 LBFGSLineSearch: 2 02:00:52 -87.977480 0.035783 LBFGSLineSearch: 3 02:00:53 -87.977785 0.014471 LBFGSLineSearch: 4 02:00:53 -87.977844 0.006965 LBFGSLineSearch: 5 02:00:53 -87.977868 0.008294 LBFGSLineSearch: 6 02:00:54 -87.977894 0.004408 LBFGSLineSearch: 7 02:00:54 -87.977899 0.004300 LBFGSLineSearch: 8 02:00:54 -87.977900 0.004125 LBFGSLineSearch: 9 02:00:55 -87.977910 0.003892 LBFGSLineSearch: 10 02:00:55 -87.977920 0.002753 LBFGSLineSearch: 11 02:00:55 -87.977925 0.001340 LBFGSLineSearch: 12 02:00:55 -87.977925 0.000140 LBFGSLineSearch: 13 02:00:55 -87.977925 0.000050 LBFGSLineSearch: 14 02:00:55 -87.977925 0.000000 Minimization converged after 14 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:01 -86.046435 0.096575 LBFGSLineSearch: 1 02:01:02 -86.048801 0.128066 LBFGSLineSearch: 2 02:01:02 -86.049734 0.036304 LBFGSLineSearch: 3 02:01:02 -86.050032 0.014350 LBFGSLineSearch: 4 02:01:03 -86.050097 0.008644 LBFGSLineSearch: 5 02:01:03 -86.050131 0.009856 LBFGSLineSearch: 6 02:01:03 -86.050164 0.006382 LBFGSLineSearch: 7 02:01:04 -86.050170 0.006109 LBFGSLineSearch: 8 02:01:04 -86.050174 0.005464 LBFGSLineSearch: 9 02:01:04 -86.050218 0.003161 LBFGSLineSearch: 10 02:01:04 -86.050221 0.001348 LBFGSLineSearch: 11 02:01:05 -86.050221 0.000840 LBFGSLineSearch: 12 02:01:05 -86.050221 0.000006 Minimization converged after 12 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:11 -83.890650 0.107978 LBFGSLineSearch: 1 02:01:12 -83.893782 0.124861 LBFGSLineSearch: 2 02:01:12 -83.894736 0.036311 LBFGSLineSearch: 3 02:01:12 -83.895027 0.014593 LBFGSLineSearch: 4 02:01:13 -83.895102 0.010176 LBFGSLineSearch: 5 02:01:13 -83.895146 0.010646 LBFGSLineSearch: 6 02:01:13 -83.895183 0.008239 LBFGSLineSearch: 7 02:01:14 -83.895192 0.007860 LBFGSLineSearch: 8 02:01:14 -83.895201 0.008699 LBFGSLineSearch: 9 02:01:14 -83.895266 0.005783 LBFGSLineSearch: 10 02:01:15 -83.895271 0.003614 LBFGSLineSearch: 11 02:01:15 -83.895274 0.000284 LBFGSLineSearch: 12 02:01:15 -83.895274 0.000001 Minimization converged after 12 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:22 -81.481573 0.120685 LBFGSLineSearch: 1 02:01:23 -81.485763 0.113607 LBFGSLineSearch: 2 02:01:23 -81.486682 0.034923 LBFGSLineSearch: 3 02:01:23 -81.486957 0.016592 LBFGSLineSearch: 4 02:01:23 -81.487041 0.011191 LBFGSLineSearch: 5 02:01:24 -81.487092 0.011678 LBFGSLineSearch: 6 02:01:24 -81.487128 0.010139 LBFGSLineSearch: 7 02:01:24 -81.487143 0.009067 LBFGSLineSearch: 8 02:01:24 -81.487154 0.008344 LBFGSLineSearch: 9 02:01:24 -81.487176 0.013516 LBFGSLineSearch: 10 02:01:25 -81.487249 0.005369 LBFGSLineSearch: 11 02:01:25 -81.487257 0.003839 LBFGSLineSearch: 12 02:01:25 -81.487260 0.001981 LBFGSLineSearch: 13 02:01:25 -81.487261 0.000667 LBFGSLineSearch: 14 02:01:25 -81.487261 0.000000 Minimization converged after 14 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:31 -78.790702 0.134828 LBFGSLineSearch: 1 02:01:32 -78.796377 0.089034 LBFGSLineSearch: 2 02:01:32 -78.796832 0.042227 LBFGSLineSearch: 3 02:01:32 -78.796892 0.016059 LBFGSLineSearch: 4 02:01:32 -78.796950 0.007164 LBFGSLineSearch: 5 02:01:32 -78.796960 0.003805 LBFGSLineSearch: 6 02:01:33 -78.796964 0.002382 LBFGSLineSearch: 7 02:01:33 -78.796965 0.001702 LBFGSLineSearch: 8 02:01:33 -78.796965 0.002086 LBFGSLineSearch: 9 02:01:33 -78.796966 0.002251 LBFGSLineSearch: 10 02:01:34 -78.796967 0.002245 LBFGSLineSearch: 11 02:01:34 -78.796970 0.000700 LBFGSLineSearch: 12 02:01:34 -78.796970 0.000232 LBFGSLineSearch: 13 02:01:34 -78.796970 0.000086 LBFGSLineSearch: 14 02:01:35 -78.796970 0.000020 LBFGSLineSearch: 15 02:01:35 -78.796970 0.000000 Minimization converged after 15 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:41 -75.783317 0.150683 LBFGSLineSearch: 1 02:01:42 -75.786743 0.094903 LBFGSLineSearch: 2 02:01:42 -75.789789 0.047392 LBFGSLineSearch: 3 02:01:42 -75.790186 0.050032 LBFGSLineSearch: 4 02:01:42 -75.791183 0.049343 LBFGSLineSearch: 5 02:01:42 -75.791551 0.041036 LBFGSLineSearch: 6 02:01:42 -75.791737 0.022009 LBFGSLineSearch: 7 02:01:42 -75.791788 0.011425 LBFGSLineSearch: 8 02:01:42 -75.791817 0.011166 LBFGSLineSearch: 9 02:01:43 -75.791854 0.013265 LBFGSLineSearch: 10 02:01:43 -75.791873 0.017811 LBFGSLineSearch: 11 02:01:43 -75.791976 0.015252 LBFGSLineSearch: 12 02:01:44 -75.792074 0.010952 LBFGSLineSearch: 13 02:01:44 -75.792114 0.004987 LBFGSLineSearch: 14 02:01:45 -75.792119 0.001641 LBFGSLineSearch: 15 02:01:45 -75.792120 0.000264 LBFGSLineSearch: 16 02:01:45 -75.792120 0.000001 Minimization converged after 16 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:52 -72.428018 0.168205 LBFGSLineSearch: 1 02:01:53 -72.434265 0.197322 LBFGSLineSearch: 2 02:01:53 -72.437522 0.051373 LBFGSLineSearch: 3 02:01:53 -72.437950 0.043891 LBFGSLineSearch: 4 02:01:53 -72.438124 0.034662 LBFGSLineSearch: 5 02:01:53 -72.438470 0.022988 LBFGSLineSearch: 6 02:01:53 -72.438600 0.028416 LBFGSLineSearch: 7 02:01:53 -72.438722 0.016404 LBFGSLineSearch: 8 02:01:53 -72.439017 0.062313 LBFGSLineSearch: 9 02:01:54 -72.439070 0.073968 LBFGSLineSearch: 10 02:01:54 -72.439464 0.047829 LBFGSLineSearch: 11 02:01:54 -72.439557 0.029783 LBFGSLineSearch: 12 02:01:54 -72.439751 0.022792 LBFGSLineSearch: 13 02:01:55 -72.440087 0.051074 LBFGSLineSearch: 14 02:01:55 -72.440639 0.025689 LBFGSLineSearch: 15 02:01:55 -72.440704 0.007386 LBFGSLineSearch: 16 02:01:55 -72.440711 0.002104 LBFGSLineSearch: 17 02:01:55 -72.440712 0.000636 LBFGSLineSearch: 18 02:01:55 -72.440712 0.000104 LBFGSLineSearch: 19 02:01:56 -72.440712 0.000009 Minimization converged after 19 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:02 -68.716345 0.186218 LBFGSLineSearch: 1 02:02:02 -68.725450 0.199153 LBFGSLineSearch: 2 02:02:02 -68.729041 0.101548 LBFGSLineSearch: 3 02:02:02 -68.729946 0.092556 LBFGSLineSearch: 4 02:02:03 -68.730770 0.062853 LBFGSLineSearch: 5 02:02:03 -68.731938 0.046696 LBFGSLineSearch: 6 02:02:03 -68.732264 0.022398 LBFGSLineSearch: 7 02:02:03 -68.732398 0.024705 LBFGSLineSearch: 8 02:02:03 -68.732464 0.033349 LBFGSLineSearch: 9 02:02:03 -68.732767 0.020659 LBFGSLineSearch: 10 02:02:04 -68.732933 0.021305 LBFGSLineSearch: 11 02:02:04 -68.733034 0.004989 LBFGSLineSearch: 12 02:02:04 -68.733039 0.000564 LBFGSLineSearch: 13 02:02:04 -68.733039 0.000016 LBFGSLineSearch: 14 02:02:04 -68.733039 0.000000 Minimization converged after 14 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:10 -64.586931 0.207305 LBFGSLineSearch: 1 02:02:11 -64.598367 0.158803 LBFGSLineSearch: 2 02:02:11 -64.600738 0.056252 LBFGSLineSearch: 3 02:02:12 -64.601291 0.045688 LBFGSLineSearch: 4 02:02:12 -64.601515 0.032398 LBFGSLineSearch: 5 02:02:12 -64.601771 0.026980 LBFGSLineSearch: 6 02:02:12 -64.601872 0.014763 LBFGSLineSearch: 7 02:02:13 -64.601939 0.021525 LBFGSLineSearch: 8 02:02:13 -64.601976 0.013880 LBFGSLineSearch: 9 02:02:13 -64.602079 0.019846 LBFGSLineSearch: 10 02:02:14 -64.602199 0.007328 LBFGSLineSearch: 11 02:02:14 -64.602209 0.003916 LBFGSLineSearch: 12 02:02:14 -64.602212 0.001571 LBFGSLineSearch: 13 02:02:14 -64.602213 0.000441 LBFGSLineSearch: 14 02:02:14 -64.602213 0.000044 LBFGSLineSearch: 15 02:02:15 -64.602213 0.000002 Minimization converged after 15 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:21 -59.982185 0.231002 LBFGSLineSearch: 1 02:02:21 -59.997402 0.124569 LBFGSLineSearch: 2 02:02:22 -59.998980 0.056683 LBFGSLineSearch: 3 02:02:22 -59.999567 0.040536 LBFGSLineSearch: 4 02:02:22 -59.999776 0.027370 LBFGSLineSearch: 5 02:02:22 -59.999997 0.022871 LBFGSLineSearch: 6 02:02:23 -60.000079 0.012968 LBFGSLineSearch: 7 02:02:23 -60.000142 0.021788 LBFGSLineSearch: 8 02:02:23 -60.000178 0.013124 LBFGSLineSearch: 9 02:02:24 -60.000258 0.018711 LBFGSLineSearch: 10 02:02:24 -60.000391 0.008042 LBFGSLineSearch: 11 02:02:24 -60.000402 0.003510 LBFGSLineSearch: 12 02:02:24 -60.000404 0.001083 LBFGSLineSearch: 13 02:02:25 -60.000404 0.000001 Minimization converged after 13 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:31 -54.855362 0.257253 LBFGSLineSearch: 1 02:02:31 -54.876167 0.085008 LBFGSLineSearch: 2 02:02:31 -54.877223 0.046206 LBFGSLineSearch: 3 02:02:31 -54.877528 0.033463 LBFGSLineSearch: 4 02:02:31 -54.877890 0.018830 LBFGSLineSearch: 5 02:02:32 -54.877942 0.014620 LBFGSLineSearch: 6 02:02:32 -54.877970 0.013132 LBFGSLineSearch: 7 02:02:32 -54.877989 0.014301 LBFGSLineSearch: 8 02:02:32 -54.878044 0.015369 LBFGSLineSearch: 9 02:02:33 -54.878080 0.009213 LBFGSLineSearch: 10 02:02:33 -54.878134 0.009734 LBFGSLineSearch: 11 02:02:33 -54.878171 0.006516 LBFGSLineSearch: 12 02:02:34 -54.878180 0.000228 LBFGSLineSearch: 13 02:02:34 -54.878180 0.000006 Minimization converged after 13 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:40 -49.154752 0.286170 LBFGSLineSearch: 1 02:02:41 -49.184025 0.103927 LBFGSLineSearch: 2 02:02:41 -49.191270 0.211800 LBFGSLineSearch: 3 02:02:41 -49.203248 0.260444 LBFGSLineSearch: 4 02:02:42 -49.210846 0.109624 LBFGSLineSearch: 5 02:02:43 -49.213511 0.105104 LBFGSLineSearch: 6 02:02:43 -49.214193 0.102542 LBFGSLineSearch: 7 02:02:43 -49.214763 0.105113 LBFGSLineSearch: 8 02:02:44 -49.215670 0.092391 LBFGSLineSearch: 9 02:02:44 -49.221155 0.094278 LBFGSLineSearch: 10 02:02:44 -49.224532 0.063034 LBFGSLineSearch: 11 02:02:44 -49.224944 0.048622 LBFGSLineSearch: 12 02:02:45 -49.225303 0.022489 LBFGSLineSearch: 13 02:02:45 -49.225500 0.009096 LBFGSLineSearch: 14 02:02:45 -49.225509 0.002047 LBFGSLineSearch: 15 02:02:46 -49.225510 0.000021 LBFGSLineSearch: 16 02:02:46 -49.225510 0.000001 Minimization converged after 16 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:52 -42.912816 0.315635 LBFGSLineSearch: 1 02:02:53 -42.946455 0.087533 LBFGSLineSearch: 2 02:02:53 -42.947462 0.059907 LBFGSLineSearch: 3 02:02:53 -42.948224 0.023335 LBFGSLineSearch: 4 02:02:53 -42.948387 0.014383 LBFGSLineSearch: 5 02:02:54 -42.948417 0.008261 LBFGSLineSearch: 6 02:02:54 -42.948441 0.008746 LBFGSLineSearch: 7 02:02:54 -42.948455 0.007694 LBFGSLineSearch: 8 02:02:54 -42.948488 0.005795 LBFGSLineSearch: 9 02:02:55 -42.948509 0.006074 LBFGSLineSearch: 10 02:02:55 -42.948520 0.005174 LBFGSLineSearch: 11 02:02:55 -42.948525 0.001972 LBFGSLineSearch: 12 02:02:55 -42.948526 0.000289 LBFGSLineSearch: 13 02:02:56 -42.948526 0.000018 LBFGSLineSearch: 14 02:02:56 -42.948526 0.000002 Minimization converged after 14 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:03 -35.942186 0.350317 LBFGSLineSearch: 1 02:03:03 -35.982313 0.093015 LBFGSLineSearch: 2 02:03:03 -35.983356 0.060952 LBFGSLineSearch: 3 02:03:04 -35.984191 0.026327 LBFGSLineSearch: 4 02:03:04 -35.984355 0.015733 LBFGSLineSearch: 5 02:03:04 -35.984390 0.009332 LBFGSLineSearch: 6 02:03:04 -35.984419 0.009877 LBFGSLineSearch: 7 02:03:05 -35.984433 0.008746 LBFGSLineSearch: 8 02:03:05 -35.984498 0.008034 LBFGSLineSearch: 9 02:03:05 -35.984519 0.006157 LBFGSLineSearch: 10 02:03:05 -35.984525 0.002675 LBFGSLineSearch: 11 02:03:06 -35.984527 0.000001 Minimization converged after 11 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:12 -28.214159 0.388518 LBFGSLineSearch: 1 02:03:13 -28.261626 0.098109 LBFGSLineSearch: 2 02:03:13 -28.262726 0.062695 LBFGSLineSearch: 3 02:03:13 -28.263555 0.027763 LBFGSLineSearch: 4 02:03:13 -28.263730 0.017002 LBFGSLineSearch: 5 02:03:13 -28.263771 0.009820 LBFGSLineSearch: 6 02:03:13 -28.263799 0.011129 LBFGSLineSearch: 7 02:03:13 -28.263813 0.009370 LBFGSLineSearch: 8 02:03:14 -28.263902 0.009134 LBFGSLineSearch: 9 02:03:14 -28.263921 0.004193 LBFGSLineSearch: 10 02:03:14 -28.263925 0.001032 LBFGSLineSearch: 11 02:03:14 -28.263925 0.000000 Minimization converged after 11 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:20 -19.652389 0.430577 LBFGSLineSearch: 1 02:03:21 -19.708344 0.103327 LBFGSLineSearch: 2 02:03:21 -19.709499 0.064466 LBFGSLineSearch: 3 02:03:21 -19.710313 0.028963 LBFGSLineSearch: 4 02:03:21 -19.710495 0.018463 LBFGSLineSearch: 5 02:03:21 -19.710544 0.009743 LBFGSLineSearch: 6 02:03:21 -19.710572 0.012451 LBFGSLineSearch: 7 02:03:21 -19.710585 0.009879 LBFGSLineSearch: 8 02:03:22 -19.710701 0.009162 LBFGSLineSearch: 9 02:03:22 -19.710717 0.002900 LBFGSLineSearch: 10 02:03:22 -19.710718 0.000293 LBFGSLineSearch: 11 02:03:22 -19.710718 0.000070 LBFGSLineSearch: 12 02:03:22 -19.710718 0.000000 Minimization converged after 12 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:29 -10.173947 0.476839 LBFGSLineSearch: 1 02:03:29 -10.239695 0.108722 LBFGSLineSearch: 2 02:03:29 -10.240902 0.066236 LBFGSLineSearch: 3 02:03:30 -10.241695 0.029943 LBFGSLineSearch: 4 02:03:30 -10.241881 0.019630 LBFGSLineSearch: 5 02:03:30 -10.241936 0.012335 LBFGSLineSearch: 6 02:03:31 -10.241970 0.012093 LBFGSLineSearch: 7 02:03:31 -10.241981 0.010644 LBFGSLineSearch: 8 02:03:31 -10.242122 0.005604 LBFGSLineSearch: 9 02:03:31 -10.242137 0.004854 LBFGSLineSearch: 10 02:03:32 -10.242139 0.002353 LBFGSLineSearch: 11 02:03:32 -10.242140 0.000223 LBFGSLineSearch: 12 02:03:32 -10.242140 0.000018 LBFGSLineSearch: 13 02:03:32 -10.242140 0.000001 Minimization converged after 13 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:38 0.311363 0.527675 LBFGSLineSearch: 1 02:03:38 0.234359 0.114324 LBFGSLineSearch: 2 02:03:39 0.233102 0.068059 LBFGSLineSearch: 3 02:03:39 0.232335 0.030671 LBFGSLineSearch: 4 02:03:39 0.232147 0.020475 LBFGSLineSearch: 5 02:03:39 0.232087 0.015393 LBFGSLineSearch: 6 02:03:39 0.232049 0.010605 LBFGSLineSearch: 7 02:03:39 0.232034 0.015357 LBFGSLineSearch: 8 02:03:40 0.231847 0.004905 LBFGSLineSearch: 9 02:03:40 0.231843 0.001061 LBFGSLineSearch: 10 02:03:40 0.231843 0.000081 LBFGSLineSearch: 11 02:03:40 0.231843 0.000000 Minimization converged after 11 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:46 11.901555 0.583486 LBFGSLineSearch: 1 02:03:46 11.819603 0.116479 LBFGSLineSearch: 2 02:03:46 11.817344 0.113858 LBFGSLineSearch: 3 02:03:46 11.815885 0.097932 LBFGSLineSearch: 4 02:03:47 11.814608 0.087486 LBFGSLineSearch: 5 02:03:47 11.814023 0.063371 LBFGSLineSearch: 6 02:03:47 11.813810 0.048318 LBFGSLineSearch: 7 02:03:47 11.813594 0.041789 LBFGSLineSearch: 8 02:03:48 11.812990 0.038575 LBFGSLineSearch: 9 02:03:48 11.812413 0.042586 LBFGSLineSearch: 10 02:03:48 11.811814 0.023252 LBFGSLineSearch: 11 02:03:49 11.811599 0.009480 LBFGSLineSearch: 12 02:03:49 11.811588 0.003335 LBFGSLineSearch: 13 02:03:49 11.811587 0.001328 LBFGSLineSearch: 14 02:03:49 11.811587 0.000163 LBFGSLineSearch: 15 02:03:49 11.811587 0.000015 LBFGSLineSearch: 16 02:03:50 11.811587 0.000001 Minimization converged after 16 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:56 24.714678 0.645155 LBFGSLineSearch: 1 02:03:56 24.620594 0.120755 LBFGSLineSearch: 2 02:03:56 24.618219 0.104821 LBFGSLineSearch: 3 02:03:57 24.616643 0.066232 LBFGSLineSearch: 4 02:03:57 24.616120 0.046836 LBFGSLineSearch: 5 02:03:57 24.615761 0.055636 LBFGSLineSearch: 6 02:03:58 24.615119 0.028881 LBFGSLineSearch: 7 02:03:58 24.614531 0.051170 LBFGSLineSearch: 8 02:03:59 24.613057 0.029299 LBFGSLineSearch: 9 02:03:59 24.612892 0.007354 LBFGSLineSearch: 10 02:03:59 24.612883 0.002686 LBFGSLineSearch: 11 02:04:00 24.612883 0.000782 LBFGSLineSearch: 12 02:04:00 24.612883 0.000041 LBFGSLineSearch: 13 02:04:00 24.612883 0.000003 Minimization converged after 13 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:06 38.868784 0.712795 LBFGSLineSearch: 1 02:04:07 38.746962 0.138594 LBFGSLineSearch: 2 02:04:07 38.745248 0.077175 LBFGSLineSearch: 3 02:04:07 38.744665 0.037476 LBFGSLineSearch: 4 02:04:08 38.744403 0.017763 LBFGSLineSearch: 5 02:04:08 38.744362 0.017347 LBFGSLineSearch: 6 02:04:08 38.744338 0.017528 LBFGSLineSearch: 7 02:04:08 38.744316 0.019558 LBFGSLineSearch: 8 02:04:09 38.744234 0.039189 LBFGSLineSearch: 9 02:04:09 38.744119 0.022075 LBFGSLineSearch: 10 02:04:09 38.743977 0.005783 LBFGSLineSearch: 11 02:04:10 38.743973 0.001591 LBFGSLineSearch: 12 02:04:10 38.743973 0.000368 LBFGSLineSearch: 13 02:04:10 38.743973 0.000102 LBFGSLineSearch: 14 02:04:10 38.743973 0.000007 Minimization converged after 14 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:17 54.468263 0.786214 LBFGSLineSearch: 1 02:04:17 54.327780 0.140413 LBFGSLineSearch: 2 02:04:17 54.323993 0.152238 LBFGSLineSearch: 3 02:04:18 54.323070 0.080265 LBFGSLineSearch: 4 02:04:18 54.322737 0.023151 LBFGSLineSearch: 5 02:04:18 54.322673 0.017947 LBFGSLineSearch: 6 02:04:19 54.322644 0.017685 LBFGSLineSearch: 7 02:04:19 54.322578 0.014368 LBFGSLineSearch: 8 02:04:19 54.322447 0.028483 LBFGSLineSearch: 9 02:04:19 54.322267 0.016910 LBFGSLineSearch: 10 02:04:20 54.322228 0.007211 LBFGSLineSearch: 11 02:04:20 54.322219 0.000889 LBFGSLineSearch: 12 02:04:20 54.322219 0.000127 LBFGSLineSearch: 13 02:04:20 54.322219 0.000004 Minimization converged after 13 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:26 71.649976 0.866389 LBFGSLineSearch: 1 02:04:26 71.485511 0.144952 LBFGSLineSearch: 2 02:04:26 71.483945 0.064056 LBFGSLineSearch: 3 02:04:27 71.483166 0.031691 LBFGSLineSearch: 4 02:04:27 71.482985 0.024273 LBFGSLineSearch: 5 02:04:27 71.482880 0.017944 LBFGSLineSearch: 6 02:04:28 71.482819 0.017384 LBFGSLineSearch: 7 02:04:28 71.482749 0.014246 LBFGSLineSearch: 8 02:04:28 71.482731 0.013030 LBFGSLineSearch: 9 02:04:28 71.482556 0.015006 LBFGSLineSearch: 10 02:04:29 71.482489 0.012677 LBFGSLineSearch: 11 02:04:29 71.482467 0.005143 LBFGSLineSearch: 12 02:04:30 71.482464 0.000835 LBFGSLineSearch: 13 02:04:30 71.482464 0.000078 LBFGSLineSearch: 14 02:04:30 71.482464 0.000005 Minimization converged after 14 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:36 90.557331 0.953744 LBFGSLineSearch: 1 02:04:36 90.367890 0.238863 LBFGSLineSearch: 2 02:04:36 90.365680 0.127674 LBFGSLineSearch: 3 02:04:36 90.364065 0.051004 LBFGSLineSearch: 4 02:04:36 90.363512 0.044718 LBFGSLineSearch: 5 02:04:37 90.363205 0.036419 LBFGSLineSearch: 6 02:04:37 90.363095 0.033624 LBFGSLineSearch: 7 02:04:37 90.363007 0.030590 LBFGSLineSearch: 8 02:04:37 90.362917 0.025565 LBFGSLineSearch: 9 02:04:37 90.362576 0.051328 LBFGSLineSearch: 10 02:04:37 90.361725 0.009279 LBFGSLineSearch: 11 02:04:37 90.361696 0.002586 LBFGSLineSearch: 12 02:04:38 90.361695 0.001094 LBFGSLineSearch: 13 02:04:38 90.361695 0.000150 LBFGSLineSearch: 14 02:04:38 90.361695 0.000042 LBFGSLineSearch: 15 02:04:38 90.361695 0.000001 Minimization converged after 15 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:45 111.344168 1.049124 LBFGSLineSearch: 1 02:04:45 111.173047 0.489680 LBFGSLineSearch: 2 02:04:45 111.129032 0.058374 LBFGSLineSearch: 3 02:04:45 111.128349 0.044608 LBFGSLineSearch: 4 02:04:46 111.128150 0.033686 LBFGSLineSearch: 5 02:04:46 111.128062 0.026206 LBFGSLineSearch: 6 02:04:46 111.127952 0.027627 LBFGSLineSearch: 7 02:04:46 111.127834 0.042730 LBFGSLineSearch: 8 02:04:47 111.127213 0.046827 LBFGSLineSearch: 9 02:04:47 111.127017 0.015888 LBFGSLineSearch: 10 02:04:47 111.126998 0.002437 LBFGSLineSearch: 11 02:04:47 111.126997 0.000007 Minimization converged after 11 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:53 134.199310 1.153622 LBFGSLineSearch: 1 02:04:54 133.996941 0.502338 LBFGSLineSearch: 2 02:04:54 133.953413 0.056051 LBFGSLineSearch: 3 02:04:54 133.952816 0.044472 LBFGSLineSearch: 4 02:04:54 133.952612 0.036030 LBFGSLineSearch: 5 02:04:54 133.952526 0.028128 LBFGSLineSearch: 6 02:04:54 133.952386 0.029259 LBFGSLineSearch: 7 02:04:54 133.952224 0.056975 LBFGSLineSearch: 8 02:04:54 133.951730 0.039358 LBFGSLineSearch: 9 02:04:54 133.951345 0.037529 LBFGSLineSearch: 10 02:04:54 133.951187 0.013737 LBFGSLineSearch: 11 02:04:54 133.951171 0.002524 LBFGSLineSearch: 12 02:04:54 133.951170 0.000198 LBFGSLineSearch: 13 02:04:54 133.951170 0.000018 LBFGSLineSearch: 14 02:04:54 133.951170 0.000000 Minimization converged after 14 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:00 159.300927 1.267488 LBFGSLineSearch: 1 02:05:01 159.062489 0.509755 LBFGSLineSearch: 2 02:05:01 159.020640 0.055796 LBFGSLineSearch: 3 02:05:01 159.020085 0.038508 LBFGSLineSearch: 4 02:05:02 159.019922 0.043587 LBFGSLineSearch: 5 02:05:02 159.019826 0.027707 LBFGSLineSearch: 6 02:05:02 159.019594 0.032970 LBFGSLineSearch: 7 02:05:03 159.019283 0.070005 LBFGSLineSearch: 8 02:05:03 159.018593 0.054677 LBFGSLineSearch: 9 02:05:03 159.017928 0.018098 LBFGSLineSearch: 10 02:05:03 159.017876 0.004964 LBFGSLineSearch: 11 02:05:04 159.017872 0.000016 LBFGSLineSearch: 12 02:05:04 159.017872 0.000001 Minimization converged after 12 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:10 186.847145 1.391464 LBFGSLineSearch: 1 02:05:10 186.568513 0.506889 LBFGSLineSearch: 2 02:05:10 186.530183 0.088813 LBFGSLineSearch: 3 02:05:11 186.529708 0.044770 LBFGSLineSearch: 4 02:05:11 186.529458 0.043500 LBFGSLineSearch: 5 02:05:11 186.529355 0.044824 LBFGSLineSearch: 6 02:05:11 186.529183 0.046036 LBFGSLineSearch: 7 02:05:12 186.528434 0.063447 LBFGSLineSearch: 8 02:05:12 186.527859 0.060808 LBFGSLineSearch: 9 02:05:12 186.527014 0.054475 LBFGSLineSearch: 10 02:05:13 186.526079 0.025697 LBFGSLineSearch: 11 02:05:13 186.526040 0.008672 LBFGSLineSearch: 12 02:05:13 186.526033 0.000577 LBFGSLineSearch: 13 02:05:14 186.526033 0.000063 LBFGSLineSearch: 14 02:05:14 186.526033 0.000002 Minimization converged after 14 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:19 217.053505 1.526374 LBFGSLineSearch: 1 02:05:20 216.727628 0.502448 LBFGSLineSearch: 2 02:05:20 216.693248 0.088177 LBFGSLineSearch: 3 02:05:21 216.692794 0.037166 LBFGSLineSearch: 4 02:05:21 216.692574 0.047370 LBFGSLineSearch: 5 02:05:22 216.692476 0.047534 LBFGSLineSearch: 6 02:05:22 216.692233 0.051914 LBFGSLineSearch: 7 02:05:22 216.690384 0.112151 LBFGSLineSearch: 8 02:05:23 216.688967 0.082772 LBFGSLineSearch: 9 02:05:23 216.687260 0.054515 LBFGSLineSearch: 10 02:05:23 216.686817 0.009248 LBFGSLineSearch: 11 02:05:24 216.686808 0.001830 LBFGSLineSearch: 12 02:05:24 216.686808 0.000065 LBFGSLineSearch: 13 02:05:24 216.686808 0.000005 Minimization converged after 13 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:30 250.142601 1.672791 LBFGSLineSearch: 1 02:05:30 249.762598 0.483247 LBFGSLineSearch: 2 02:05:30 249.732076 0.086504 LBFGSLineSearch: 3 02:05:30 249.731603 0.036023 LBFGSLineSearch: 4 02:05:31 249.731406 0.044910 LBFGSLineSearch: 5 02:05:31 249.731333 0.043886 LBFGSLineSearch: 6 02:05:31 249.731104 0.051863 LBFGSLineSearch: 7 02:05:32 249.727466 0.226548 LBFGSLineSearch: 8 02:05:32 249.716190 0.132864 LBFGSLineSearch: 9 02:05:32 249.663902 0.661329 LBFGSLineSearch: 10 02:05:33 249.661429 0.689264 LBFGSLineSearch: 11 02:05:33 249.593101 0.422785 LBFGSLineSearch: 12 02:05:33 249.582856 0.257428 LBFGSLineSearch: 13 02:05:33 249.579630 0.028396 LBFGSLineSearch: 14 02:05:34 249.579565 0.012608 LBFGSLineSearch: 15 02:05:34 249.579557 0.002749 LBFGSLineSearch: 16 02:05:34 249.579556 0.000671 LBFGSLineSearch: 17 02:05:34 249.579556 0.000536 LBFGSLineSearch: 18 02:05:35 249.579556 0.000126 LBFGSLineSearch: 19 02:05:35 249.579556 0.000009 Minimization converged after 19 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:41 286.092537 1.825651 LBFGSLineSearch: 1 02:05:41 285.657115 0.442535 LBFGSLineSearch: 2 02:05:41 285.632432 0.092292 LBFGSLineSearch: 3 02:05:41 285.631484 0.055121 LBFGSLineSearch: 4 02:05:42 285.630968 0.052034 LBFGSLineSearch: 5 02:05:42 285.630782 0.060190 LBFGSLineSearch: 6 02:05:42 285.630167 0.074003 LBFGSLineSearch: 7 02:05:43 285.628865 0.129707 LBFGSLineSearch: 8 02:05:43 285.626365 0.010502 LBFGSLineSearch: 9 02:05:43 285.626348 0.004716 LBFGSLineSearch: 10 02:05:43 285.626343 0.000333 LBFGSLineSearch: 11 02:05:44 285.626343 0.000074 LBFGSLineSearch: 12 02:05:44 285.626343 0.000000 Minimization converged after 12 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:50 325.583474 1.997857 LBFGSLineSearch: 1 02:05:50 325.082963 0.388814 LBFGSLineSearch: 2 02:05:50 325.064603 0.102930 LBFGSLineSearch: 3 02:05:50 325.063513 0.058366 LBFGSLineSearch: 4 02:05:51 325.062979 0.054532 LBFGSLineSearch: 5 02:05:51 325.062814 0.060860 LBFGSLineSearch: 6 02:05:51 325.062440 0.079123 LBFGSLineSearch: 7 02:05:51 325.061220 0.077716 LBFGSLineSearch: 8 02:05:52 325.059630 0.111871 LBFGSLineSearch: 9 02:05:52 325.058652 0.003555 LBFGSLineSearch: 10 02:05:52 325.058649 0.001048 LBFGSLineSearch: 11 02:05:52 325.058649 0.000355 LBFGSLineSearch: 12 02:05:52 325.058649 0.000020 LBFGSLineSearch: 13 02:05:53 325.058649 0.000001 Minimization converged after 13 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:59 368.752592 2.184697 LBFGSLineSearch: 1 02:05:59 368.181770 0.313296 LBFGSLineSearch: 2 02:05:59 368.169749 0.125462 LBFGSLineSearch: 3 02:05:59 368.168446 0.057927 LBFGSLineSearch: 4 02:05:59 368.167865 0.059488 LBFGSLineSearch: 5 02:05:59 368.167627 0.072996 LBFGSLineSearch: 6 02:05:59 368.167150 0.097255 LBFGSLineSearch: 7 02:05:59 368.165553 0.091218 LBFGSLineSearch: 8 02:06:00 368.163795 0.098343 LBFGSLineSearch: 9 02:06:00 368.163190 0.048002 LBFGSLineSearch: 10 02:06:00 368.163044 0.001789 LBFGSLineSearch: 11 02:06:00 368.163043 0.000463 LBFGSLineSearch: 12 02:06:00 368.163043 0.000103 LBFGSLineSearch: 13 02:06:00 368.163043 0.000002 Minimization converged after 13 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:06 415.909106 2.387303 LBFGSLineSearch: 1 02:06:06 415.259887 0.264489 LBFGSLineSearch: 2 02:06:07 415.251968 0.148401 LBFGSLineSearch: 3 02:06:07 415.250349 0.057054 LBFGSLineSearch: 4 02:06:07 415.249847 0.063028 LBFGSLineSearch: 5 02:06:07 415.249528 0.088215 LBFGSLineSearch: 6 02:06:07 415.248863 0.070169 LBFGSLineSearch: 7 02:06:07 415.246923 0.141012 LBFGSLineSearch: 8 02:06:07 415.245597 0.064372 LBFGSLineSearch: 9 02:06:07 415.245484 0.004475 LBFGSLineSearch: 10 02:06:07 415.245482 0.000955 LBFGSLineSearch: 11 02:06:07 415.245482 0.000094 LBFGSLineSearch: 12 02:06:08 415.245482 0.000003 Minimization converged after 12 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:14 467.376801 2.606567 LBFGSLineSearch: 1 02:06:14 466.646061 0.308040 LBFGSLineSearch: 2 02:06:15 466.639548 0.199111 LBFGSLineSearch: 3 02:06:16 466.637481 0.067446 LBFGSLineSearch: 4 02:06:16 466.637047 0.080291 LBFGSLineSearch: 5 02:06:17 466.636564 0.077276 LBFGSLineSearch: 6 02:06:17 466.635778 0.090963 LBFGSLineSearch: 7 02:06:17 466.633574 0.123440 LBFGSLineSearch: 8 02:06:17 466.632385 0.040254 LBFGSLineSearch: 9 02:06:17 466.632279 0.002045 LBFGSLineSearch: 10 02:06:17 466.632278 0.000676 LBFGSLineSearch: 11 02:06:18 466.632278 0.000003 Minimization converged after 11 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:24 523.508451 2.843809 LBFGSLineSearch: 1 02:06:24 522.690856 0.341225 LBFGSLineSearch: 2 02:06:24 522.683356 0.260097 LBFGSLineSearch: 3 02:06:24 522.680841 0.090144 LBFGSLineSearch: 4 02:06:24 522.680349 0.094204 LBFGSLineSearch: 5 02:06:25 522.679734 0.081020 LBFGSLineSearch: 6 02:06:25 522.678660 0.109494 LBFGSLineSearch: 7 02:06:25 522.676272 0.133586 LBFGSLineSearch: 8 02:06:26 522.674959 0.035630 LBFGSLineSearch: 9 02:06:26 522.674837 0.001761 LBFGSLineSearch: 10 02:06:26 522.674837 0.000467 LBFGSLineSearch: 11 02:06:27 522.674836 0.000110 LBFGSLineSearch: 12 02:06:27 522.674836 0.000000 Minimization converged after 12 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:33 584.681051 3.100311 LBFGSLineSearch: 1 02:06:33 583.767063 0.374489 LBFGSLineSearch: 2 02:06:34 583.758588 0.331543 LBFGSLineSearch: 3 02:06:34 583.755469 0.116112 LBFGSLineSearch: 4 02:06:34 583.754938 0.111476 LBFGSLineSearch: 5 02:06:35 583.754297 0.099213 LBFGSLineSearch: 6 02:06:35 583.753564 0.095412 LBFGSLineSearch: 7 02:06:35 583.749536 0.140486 LBFGSLineSearch: 8 02:06:36 583.748678 0.045239 LBFGSLineSearch: 9 02:06:36 583.748552 0.003105 LBFGSLineSearch: 10 02:06:36 583.748551 0.000359 LBFGSLineSearch: 11 02:06:37 583.748551 0.000029 LBFGSLineSearch: 12 02:06:37 583.748551 0.000000 Minimization converged after 12 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:43 651.295734 3.377359 LBFGSLineSearch: 1 02:06:43 650.275441 0.411900 LBFGSLineSearch: 2 02:06:43 650.265927 0.416821 LBFGSLineSearch: 3 02:06:44 650.261998 0.145483 LBFGSLineSearch: 4 02:06:44 650.261219 0.116613 LBFGSLineSearch: 5 02:06:44 650.260292 0.107564 LBFGSLineSearch: 6 02:06:44 650.258336 0.122022 LBFGSLineSearch: 7 02:06:44 650.254800 0.078908 LBFGSLineSearch: 8 02:06:45 650.254011 0.035427 LBFGSLineSearch: 9 02:06:45 650.253927 0.013091 LBFGSLineSearch: 10 02:06:45 650.253921 0.005459 LBFGSLineSearch: 11 02:06:45 650.253920 0.000132 LBFGSLineSearch: 12 02:06:45 650.253920 0.000009 Minimization converged after 12 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:51 723.780536 3.676330 LBFGSLineSearch: 1 02:06:51 722.643291 0.453708 LBFGSLineSearch: 2 02:06:51 722.632761 0.518827 LBFGSLineSearch: 3 02:06:52 722.627727 0.178058 LBFGSLineSearch: 4 02:06:52 722.626767 0.132598 LBFGSLineSearch: 5 02:06:52 722.625892 0.127171 LBFGSLineSearch: 6 02:06:52 722.624679 0.117306 LBFGSLineSearch: 7 02:06:52 722.620842 0.167931 LBFGSLineSearch: 8 02:06:52 722.618263 0.059193 LBFGSLineSearch: 9 02:06:53 722.618173 0.001991 LBFGSLineSearch: 10 02:06:53 722.618173 0.000152 LBFGSLineSearch: 11 02:06:53 722.618173 0.000005 Minimization converged after 11 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:59 802.591775 3.998680 LBFGSLineSearch: 1 02:06:59 801.326015 0.500115 LBFGSLineSearch: 2 02:06:59 801.314643 0.640489 LBFGSLineSearch: 3 02:07:00 801.308075 0.212784 LBFGSLineSearch: 4 02:07:00 801.306873 0.151025 LBFGSLineSearch: 5 02:07:00 801.305790 0.143767 LBFGSLineSearch: 6 02:07:00 801.304289 0.124115 LBFGSLineSearch: 7 02:07:00 801.301534 0.220573 LBFGSLineSearch: 8 02:07:01 801.297633 0.080533 LBFGSLineSearch: 9 02:07:01 801.296694 0.004535 LBFGSLineSearch: 10 02:07:01 801.296693 0.000460 LBFGSLineSearch: 11 02:07:02 801.296693 0.000002 Minimization converged after 11 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:08 888.215455 4.345939 LBFGSLineSearch: 1 02:07:08 886.808637 0.551141 LBFGSLineSearch: 2 02:07:08 886.792800 0.351328 LBFGSLineSearch: 3 02:07:09 886.788161 0.253136 LBFGSLineSearch: 4 02:07:09 886.786564 0.176339 LBFGSLineSearch: 5 02:07:09 886.785176 0.165850 LBFGSLineSearch: 6 02:07:09 886.783280 0.205874 LBFGSLineSearch: 7 02:07:10 886.778274 0.261120 LBFGSLineSearch: 8 02:07:10 886.775118 0.104067 LBFGSLineSearch: 9 02:07:10 886.774533 0.000665 LBFGSLineSearch: 10 02:07:10 886.774533 0.000090 LBFGSLineSearch: 11 02:07:10 886.774533 0.000001 Minimization converged after 11 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:16 981.168946 4.719721 LBFGSLineSearch: 1 02:07:16 979.607490 0.606587 LBFGSLineSearch: 2 02:07:17 979.589355 0.378864 LBFGSLineSearch: 3 02:07:17 979.584347 0.288887 LBFGSLineSearch: 4 02:07:17 979.582311 0.201374 LBFGSLineSearch: 5 02:07:17 979.580811 0.186134 LBFGSLineSearch: 6 02:07:17 979.579144 0.147847 LBFGSLineSearch: 7 02:07:18 979.574659 0.225908 LBFGSLineSearch: 8 02:07:18 979.568227 0.035822 LBFGSLineSearch: 9 02:07:18 979.568118 0.003546 LBFGSLineSearch: 10 02:07:19 979.568117 0.000133 LBFGSLineSearch: 11 02:07:19 979.568117 0.000002 Minimization converged after 11 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:25 1082.002892 5.121739 LBFGSLineSearch: 1 02:07:25 1080.272090 0.665972 LBFGSLineSearch: 2 02:07:26 1080.251517 0.398172 LBFGSLineSearch: 3 02:07:26 1080.246302 0.321139 LBFGSLineSearch: 4 02:07:26 1080.243702 0.228938 LBFGSLineSearch: 5 02:07:26 1080.241967 0.213704 LBFGSLineSearch: 6 02:07:27 1080.240648 0.182537 LBFGSLineSearch: 7 02:07:27 1080.233243 0.422268 LBFGSLineSearch: 8 02:07:27 1080.228692 0.224279 LBFGSLineSearch: 9 02:07:27 1080.227097 0.008976 LBFGSLineSearch: 10 02:07:28 1080.227095 0.000541 LBFGSLineSearch: 11 02:07:28 1080.227095 0.000006 Minimization converged after 11 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:34 1191.303188 5.553805 LBFGSLineSearch: 1 02:07:34 1189.387164 0.728519 LBFGSLineSearch: 2 02:07:34 1189.364078 0.406336 LBFGSLineSearch: 3 02:07:35 1189.358906 0.348514 LBFGSLineSearch: 4 02:07:35 1189.355575 0.258861 LBFGSLineSearch: 5 02:07:35 1189.353703 0.239615 LBFGSLineSearch: 6 02:07:35 1189.352224 0.194431 LBFGSLineSearch: 7 02:07:36 1189.343320 0.398733 LBFGSLineSearch: 8 02:07:36 1189.337385 0.192131 LBFGSLineSearch: 9 02:07:36 1189.336323 0.004298 LBFGSLineSearch: 10 02:07:37 1189.336322 0.000141 LBFGSLineSearch: 11 02:07:37 1189.336322 0.000004 Minimization converged after 11 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:43 1309.693063 6.017838 LBFGSLineSearch: 1 02:07:43 1307.574666 0.796972 LBFGSLineSearch: 2 02:07:44 1307.549031 0.415200 LBFGSLineSearch: 3 02:07:44 1307.542173 0.228113 LBFGSLineSearch: 4 02:07:44 1307.539705 0.272048 LBFGSLineSearch: 5 02:07:44 1307.537792 0.278485 LBFGSLineSearch: 6 02:07:45 1307.535752 0.221336 LBFGSLineSearch: 7 02:07:45 1307.526476 0.380612 LBFGSLineSearch: 8 02:07:45 1307.518393 0.105661 LBFGSLineSearch: 9 02:07:45 1307.517712 0.002014 LBFGSLineSearch: 10 02:07:45 1307.517712 0.000061 LBFGSLineSearch: 11 02:07:46 1307.517712 0.000001 Minimization converged after 11 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:52 1437.834568 6.515843 LBFGSLineSearch: 1 02:07:52 1435.495297 0.915222 LBFGSLineSearch: 2 02:07:53 1435.467093 0.401622 LBFGSLineSearch: 3 02:07:53 1435.459994 0.250536 LBFGSLineSearch: 4 02:07:54 1435.457211 0.301643 LBFGSLineSearch: 5 02:07:54 1435.455188 0.303312 LBFGSLineSearch: 6 02:07:55 1435.452910 0.236963 LBFGSLineSearch: 7 02:07:55 1435.443463 0.398615 LBFGSLineSearch: 8 02:07:55 1435.433666 0.138353 LBFGSLineSearch: 9 02:07:55 1435.431943 0.004130 LBFGSLineSearch: 10 02:07:56 1435.431941 0.000176 LBFGSLineSearch: 11 02:07:56 1435.431941 0.000003 Minimization converged after 11 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:02 1576.430566 7.049932 LBFGSLineSearch: 1 02:08:03 1573.850475 1.055820 LBFGSLineSearch: 2 02:08:03 1573.819710 0.375046 LBFGSLineSearch: 3 02:08:03 1573.812469 0.272439 LBFGSLineSearch: 4 02:08:04 1573.809426 0.330737 LBFGSLineSearch: 5 02:08:04 1573.807343 0.322977 LBFGSLineSearch: 6 02:08:04 1573.804299 0.258601 LBFGSLineSearch: 7 02:08:04 1573.795471 0.282818 LBFGSLineSearch: 8 02:08:05 1573.784089 0.214391 LBFGSLineSearch: 9 02:08:05 1573.780642 0.008311 LBFGSLineSearch: 10 02:08:05 1573.780637 0.000121 LBFGSLineSearch: 11 02:08:05 1573.780637 0.000005 Minimization converged after 11 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:12 1726.227270 7.622331 LBFGSLineSearch: 1 02:08:12 1723.384861 1.219795 LBFGSLineSearch: 2 02:08:12 1723.351524 0.387902 LBFGSLineSearch: 3 02:08:12 1723.344183 0.293548 LBFGSLineSearch: 4 02:08:12 1723.340961 0.358070 LBFGSLineSearch: 5 02:08:13 1723.337988 0.339817 LBFGSLineSearch: 6 02:08:13 1723.334736 0.272568 LBFGSLineSearch: 7 02:08:13 1723.323149 0.560142 LBFGSLineSearch: 8 02:08:13 1723.308779 0.075554 LBFGSLineSearch: 9 02:08:14 1723.308570 0.001716 LBFGSLineSearch: 10 02:08:14 1723.308570 0.000059 LBFGSLineSearch: 11 02:08:14 1723.308570 0.000002 Minimization converged after 11 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:20 1888.016384 8.235391 LBFGSLineSearch: 1 02:08:20 1884.888487 1.406587 LBFGSLineSearch: 2 02:08:20 1884.852529 0.410675 LBFGSLineSearch: 3 02:08:21 1884.845071 0.313086 LBFGSLineSearch: 4 02:08:21 1884.841758 0.382120 LBFGSLineSearch: 5 02:08:21 1884.837821 0.356021 LBFGSLineSearch: 6 02:08:21 1884.834105 0.370812 LBFGSLineSearch: 7 02:08:21 1884.822589 0.524216 LBFGSLineSearch: 8 02:08:21 1884.809430 0.382223 LBFGSLineSearch: 9 02:08:21 1884.806108 0.063396 LBFGSLineSearch: 10 02:08:21 1884.806039 0.004972 LBFGSLineSearch: 11 02:08:21 1884.806038 0.000043 LBFGSLineSearch: 12 02:08:21 1884.806038 0.000001 Minimization converged after 12 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:27 2062.637865 8.891591 LBFGSLineSearch: 1 02:08:27 2059.199516 1.613387 LBFGSLineSearch: 2 02:08:27 2059.160893 0.482166 LBFGSLineSearch: 3 02:08:28 2059.153257 0.330908 LBFGSLineSearch: 4 02:08:28 2059.149950 0.401996 LBFGSLineSearch: 5 02:08:28 2059.143573 0.338732 LBFGSLineSearch: 6 02:08:28 2059.139004 0.559827 LBFGSLineSearch: 7 02:08:29 2059.119398 0.482425 LBFGSLineSearch: 8 02:08:30 2059.111712 0.057018 LBFGSLineSearch: 9 02:08:30 2059.111613 0.001228 LBFGSLineSearch: 10 02:08:30 2059.111613 0.000047 LBFGSLineSearch: 11 02:08:30 2059.111613 0.000001 Minimization converged after 11 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:36 2250.982994 9.593569 LBFGSLineSearch: 1 02:08:36 2247.207304 1.835761 LBFGSLineSearch: 2 02:08:36 2247.166019 0.558251 LBFGSLineSearch: 3 02:08:37 2247.158132 0.346302 LBFGSLineSearch: 4 02:08:37 2247.154923 0.416909 LBFGSLineSearch: 5 02:08:37 2247.147193 0.338097 LBFGSLineSearch: 6 02:08:37 2247.139760 0.727496 LBFGSLineSearch: 7 02:08:37 2247.120264 0.386401 LBFGSLineSearch: 8 02:08:37 2247.116101 0.192303 LBFGSLineSearch: 9 02:08:37 2247.115000 0.008002 LBFGSLineSearch: 10 02:08:38 2247.114997 0.000773 LBFGSLineSearch: 11 02:08:38 2247.114997 0.000007 Minimization converged after 11 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:44 2453.997102 10.344105 LBFGSLineSearch: 1 02:08:44 2450.677267 4.822476 LBFGSLineSearch: 2 02:08:45 2450.119002 5.966416 LBFGSLineSearch: 3 02:08:45 2449.886628 1.465412 LBFGSLineSearch: 4 02:08:45 2449.824351 0.926363 LBFGSLineSearch: 5 02:08:45 2449.798131 0.303577 LBFGSLineSearch: 6 02:08:46 2449.794249 0.412449 LBFGSLineSearch: 7 02:08:46 2449.792905 0.453928 LBFGSLineSearch: 8 02:08:46 2449.782599 0.637868 LBFGSLineSearch: 9 02:08:46 2449.759880 0.157880 LBFGSLineSearch: 10 02:08:47 2449.759528 0.006722 LBFGSLineSearch: 11 02:08:47 2449.759526 0.000917 LBFGSLineSearch: 12 02:08:47 2449.759526 0.000010 Minimization converged after 12 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:53 2672.681482 11.146099 LBFGSLineSearch: 1 02:08:53 2668.914802 4.840637 LBFGSLineSearch: 2 02:08:54 2668.301799 4.033634 LBFGSLineSearch: 3 02:08:54 2668.111838 1.235951 LBFGSLineSearch: 4 02:08:55 2668.085729 0.510819 LBFGSLineSearch: 5 02:08:55 2668.081563 0.366726 LBFGSLineSearch: 6 02:08:56 2668.080283 0.343031 LBFGSLineSearch: 7 02:08:56 2668.062305 0.695126 LBFGSLineSearch: 8 02:08:56 2668.046759 0.418904 LBFGSLineSearch: 9 02:08:57 2668.044061 0.027116 LBFGSLineSearch: 10 02:08:57 2668.044020 0.003681 LBFGSLineSearch: 11 02:08:57 2668.044020 0.000056 LBFGSLineSearch: 12 02:08:57 2668.044020 0.000003 Minimization converged after 12 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:04 2908.094509 12.002525 LBFGSLineSearch: 1 02:09:04 2903.834084 4.808420 LBFGSLineSearch: 2 02:09:04 2903.307564 4.170951 LBFGSLineSearch: 3 02:09:05 2903.101168 1.426046 LBFGSLineSearch: 4 02:09:05 2903.066518 0.525940 LBFGSLineSearch: 5 02:09:06 2903.062023 0.381716 LBFGSLineSearch: 6 02:09:06 2903.060979 0.358113 LBFGSLineSearch: 7 02:09:07 2903.047770 0.720706 LBFGSLineSearch: 8 02:09:07 2903.028176 0.529037 LBFGSLineSearch: 9 02:09:07 2903.024096 0.056258 LBFGSLineSearch: 10 02:09:07 2903.023955 0.007113 LBFGSLineSearch: 11 02:09:08 2903.023953 0.000127 LBFGSLineSearch: 12 02:09:08 2903.023953 0.000008 Minimization converged after 12 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:14 3161.352079 12.916408 LBFGSLineSearch: 1 02:09:15 3156.548936 4.716470 LBFGSLineSearch: 2 02:09:15 3156.113899 4.206544 LBFGSLineSearch: 3 02:09:15 3155.900551 1.576681 LBFGSLineSearch: 4 02:09:15 3155.856476 0.523975 LBFGSLineSearch: 5 02:09:15 3155.851901 0.388083 LBFGSLineSearch: 6 02:09:15 3155.850716 0.359227 LBFGSLineSearch: 7 02:09:15 3155.839827 0.734597 LBFGSLineSearch: 8 02:09:15 3155.818966 0.534139 LBFGSLineSearch: 9 02:09:16 3155.812167 0.091673 LBFGSLineSearch: 10 02:09:16 3155.811758 0.006258 LBFGSLineSearch: 11 02:09:16 3155.811755 0.000579 LBFGSLineSearch: 12 02:09:16 3155.811755 0.000212 LBFGSLineSearch: 13 02:09:17 3155.811755 0.000000 Minimization converged after 13 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:23 3433.626658 13.890745 LBFGSLineSearch: 1 02:09:23 3428.230454 4.555199 LBFGSLineSearch: 2 02:09:24 3427.886766 4.000507 LBFGSLineSearch: 3 02:09:24 3427.678890 1.681482 LBFGSLineSearch: 4 02:09:24 3427.625578 0.584628 LBFGSLineSearch: 5 02:09:24 3427.621246 0.404104 LBFGSLineSearch: 6 02:09:25 3427.619770 0.361566 LBFGSLineSearch: 7 02:09:25 3427.609686 0.756988 LBFGSLineSearch: 8 02:09:25 3427.585904 0.640835 LBFGSLineSearch: 9 02:09:25 3427.575446 0.118263 LBFGSLineSearch: 10 02:09:25 3427.574742 0.004813 LBFGSLineSearch: 11 02:09:26 3427.574741 0.000483 LBFGSLineSearch: 12 02:09:26 3427.574741 0.000099 LBFGSLineSearch: 13 02:09:26 3427.574741 0.000001 Minimization converged after 13 steps. Pressure: 9195.209099750382 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:32 3726.140063 14.928266 Failed to get energy or crystal structure at pressure 9195.209099750382 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:33 -104.182833 0.000022 LBFGSLineSearch: 1 02:09:33 -104.182833 0.000018 LBFGSLineSearch: 2 02:09:34 -104.182833 0.000001 Minimization converged after 2 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:40 -104.767760 0.029247 LBFGSLineSearch: 1 02:09:40 -104.767981 0.043266 LBFGSLineSearch: 2 02:09:40 -104.768161 0.015674 LBFGSLineSearch: 3 02:09:41 -104.768196 0.015856 LBFGSLineSearch: 4 02:09:41 -104.768245 0.014749 LBFGSLineSearch: 5 02:09:41 -104.768299 0.009015 LBFGSLineSearch: 6 02:09:41 -104.768324 0.003106 LBFGSLineSearch: 7 02:09:41 -104.768326 0.004933 LBFGSLineSearch: 8 02:09:42 -104.768331 0.002937 LBFGSLineSearch: 9 02:09:42 -104.768333 0.002397 LBFGSLineSearch: 10 02:09:43 -104.768334 0.002215 LBFGSLineSearch: 11 02:09:43 -104.768337 0.002229 LBFGSLineSearch: 12 02:09:43 -104.768340 0.003889 LBFGSLineSearch: 13 02:09:44 -104.768343 0.000004 Minimization converged after 13 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:50 -105.354440 0.029304 LBFGSLineSearch: 1 02:09:50 -105.354658 0.044271 LBFGSLineSearch: 2 02:09:51 -105.354845 0.015875 LBFGSLineSearch: 3 02:09:51 -105.354881 0.016055 LBFGSLineSearch: 4 02:09:51 -105.354932 0.015055 LBFGSLineSearch: 5 02:09:51 -105.354988 0.009136 LBFGSLineSearch: 6 02:09:52 -105.355014 0.003189 LBFGSLineSearch: 7 02:09:52 -105.355017 0.005094 LBFGSLineSearch: 8 02:09:52 -105.355021 0.002920 LBFGSLineSearch: 9 02:09:52 -105.355024 0.002490 LBFGSLineSearch: 10 02:09:53 -105.355025 0.002410 LBFGSLineSearch: 11 02:09:53 -105.355026 0.002908 LBFGSLineSearch: 12 02:09:53 -105.355031 0.001900 LBFGSLineSearch: 13 02:09:53 -105.355034 0.001610 LBFGSLineSearch: 14 02:09:54 -105.355034 0.000739 LBFGSLineSearch: 15 02:09:54 -105.355034 0.000070 LBFGSLineSearch: 16 02:09:54 -105.355034 0.000026 LBFGSLineSearch: 17 02:09:54 -105.355034 0.000000 Minimization converged after 17 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:01 -105.942323 0.029365 LBFGSLineSearch: 1 02:10:01 -105.942537 0.045235 LBFGSLineSearch: 2 02:10:01 -105.942732 0.016096 LBFGSLineSearch: 3 02:10:02 -105.942778 0.016420 LBFGSLineSearch: 4 02:10:02 -105.942864 0.008792 LBFGSLineSearch: 5 02:10:02 -105.942901 0.007497 LBFGSLineSearch: 6 02:10:02 -105.942907 0.004115 LBFGSLineSearch: 7 02:10:03 -105.942909 0.004993 LBFGSLineSearch: 8 02:10:03 -105.942915 0.003194 LBFGSLineSearch: 9 02:10:03 -105.942917 0.002077 LBFGSLineSearch: 10 02:10:04 -105.942918 0.002592 LBFGSLineSearch: 11 02:10:04 -105.942925 0.002035 LBFGSLineSearch: 12 02:10:04 -105.942927 0.001905 LBFGSLineSearch: 13 02:10:05 -105.942928 0.000862 LBFGSLineSearch: 14 02:10:05 -105.942928 0.000101 LBFGSLineSearch: 15 02:10:05 -105.942928 0.000005 Minimization converged after 15 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:11 -106.531431 0.029427 LBFGSLineSearch: 1 02:10:11 -106.531641 0.046177 LBFGSLineSearch: 2 02:10:11 -106.531844 0.016306 LBFGSLineSearch: 3 02:10:12 -106.531892 0.016636 LBFGSLineSearch: 4 02:10:12 -106.531981 0.008955 LBFGSLineSearch: 5 02:10:12 -106.532020 0.007166 LBFGSLineSearch: 6 02:10:13 -106.532026 0.004297 LBFGSLineSearch: 7 02:10:13 -106.532029 0.005250 LBFGSLineSearch: 8 02:10:13 -106.532035 0.002997 LBFGSLineSearch: 9 02:10:13 -106.532037 0.002423 LBFGSLineSearch: 10 02:10:14 -106.532038 0.002574 LBFGSLineSearch: 11 02:10:14 -106.532039 0.003240 LBFGSLineSearch: 12 02:10:15 -106.532048 0.000222 LBFGSLineSearch: 13 02:10:15 -106.532048 0.000077 LBFGSLineSearch: 14 02:10:15 -106.532048 0.000005 Minimization converged after 14 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:21 -107.121789 0.029488 LBFGSLineSearch: 1 02:10:21 -107.121996 0.047094 LBFGSLineSearch: 2 02:10:21 -107.122207 0.016515 LBFGSLineSearch: 3 02:10:22 -107.122256 0.016854 LBFGSLineSearch: 4 02:10:22 -107.122349 0.009119 LBFGSLineSearch: 5 02:10:22 -107.122390 0.006911 LBFGSLineSearch: 6 02:10:22 -107.122396 0.004530 LBFGSLineSearch: 7 02:10:23 -107.122399 0.005776 LBFGSLineSearch: 8 02:10:23 -107.122405 0.002930 LBFGSLineSearch: 9 02:10:23 -107.122408 0.002787 LBFGSLineSearch: 10 02:10:24 -107.122409 0.002677 LBFGSLineSearch: 11 02:10:24 -107.122418 0.002483 LBFGSLineSearch: 12 02:10:24 -107.122419 0.000760 LBFGSLineSearch: 13 02:10:25 -107.122419 0.000119 LBFGSLineSearch: 14 02:10:25 -107.122419 0.000000 Minimization converged after 14 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:31 -107.713425 0.029550 LBFGSLineSearch: 1 02:10:31 -107.713628 0.047987 LBFGSLineSearch: 2 02:10:32 -107.713846 0.016718 LBFGSLineSearch: 3 02:10:32 -107.713897 0.017076 LBFGSLineSearch: 4 02:10:32 -107.713994 0.009376 LBFGSLineSearch: 5 02:10:32 -107.714038 0.006725 LBFGSLineSearch: 6 02:10:32 -107.714043 0.004806 LBFGSLineSearch: 7 02:10:33 -107.714047 0.006319 LBFGSLineSearch: 8 02:10:33 -107.714054 0.002877 LBFGSLineSearch: 9 02:10:34 -107.714057 0.002965 LBFGSLineSearch: 10 02:10:34 -107.714058 0.002802 LBFGSLineSearch: 11 02:10:34 -107.714061 0.002479 LBFGSLineSearch: 12 02:10:34 -107.714065 0.003905 LBFGSLineSearch: 13 02:10:35 -107.714068 0.000004 Minimization converged after 13 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:41 -108.306366 0.029616 LBFGSLineSearch: 1 02:10:42 -108.306566 0.048852 LBFGSLineSearch: 2 02:10:42 -108.306792 0.016909 LBFGSLineSearch: 3 02:10:42 -108.306844 0.017322 LBFGSLineSearch: 4 02:10:42 -108.306945 0.009588 LBFGSLineSearch: 5 02:10:43 -108.306991 0.006945 LBFGSLineSearch: 6 02:10:43 -108.306997 0.005176 LBFGSLineSearch: 7 02:10:43 -108.307001 0.006785 LBFGSLineSearch: 8 02:10:44 -108.307009 0.002868 LBFGSLineSearch: 9 02:10:44 -108.307012 0.003117 LBFGSLineSearch: 10 02:10:44 -108.307013 0.002773 LBFGSLineSearch: 11 02:10:44 -108.307016 0.003904 LBFGSLineSearch: 12 02:10:45 -108.307023 0.000694 LBFGSLineSearch: 13 02:10:45 -108.307024 0.000005 Minimization converged after 13 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:51 -108.900643 0.029681 LBFGSLineSearch: 1 02:10:51 -108.900840 0.049719 LBFGSLineSearch: 2 02:10:52 -108.901074 0.017133 LBFGSLineSearch: 3 02:10:52 -108.901128 0.017533 LBFGSLineSearch: 4 02:10:52 -108.901234 0.009797 LBFGSLineSearch: 5 02:10:52 -108.901282 0.006763 LBFGSLineSearch: 6 02:10:53 -108.901288 0.005456 LBFGSLineSearch: 7 02:10:53 -108.901292 0.007346 LBFGSLineSearch: 8 02:10:53 -108.901301 0.002854 LBFGSLineSearch: 9 02:10:53 -108.901304 0.003254 LBFGSLineSearch: 10 02:10:54 -108.901306 0.002814 LBFGSLineSearch: 11 02:10:54 -108.901308 0.003921 LBFGSLineSearch: 12 02:10:54 -108.901316 0.000987 LBFGSLineSearch: 13 02:10:54 -108.901317 0.000040 LBFGSLineSearch: 14 02:10:55 -108.901317 0.000000 Minimization converged after 14 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:00 -109.496289 0.029749 LBFGSLineSearch: 1 02:11:01 -109.496484 0.050551 LBFGSLineSearch: 2 02:11:01 -109.496725 0.017326 LBFGSLineSearch: 3 02:11:01 -109.496780 0.017788 LBFGSLineSearch: 4 02:11:02 -109.496891 0.010065 LBFGSLineSearch: 5 02:11:02 -109.496942 0.007457 LBFGSLineSearch: 6 02:11:02 -109.496948 0.005896 LBFGSLineSearch: 7 02:11:02 -109.496954 0.007841 LBFGSLineSearch: 8 02:11:03 -109.496964 0.002863 LBFGSLineSearch: 9 02:11:03 -109.496966 0.003376 LBFGSLineSearch: 10 02:11:03 -109.496968 0.002956 LBFGSLineSearch: 11 02:11:03 -109.496970 0.003509 LBFGSLineSearch: 12 02:11:04 -109.496979 0.001238 LBFGSLineSearch: 13 02:11:04 -109.496980 0.000038 LBFGSLineSearch: 14 02:11:04 -109.496980 0.000000 Minimization converged after 14 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:11 -110.093340 0.029818 LBFGSLineSearch: 1 02:11:11 -110.093532 0.051372 LBFGSLineSearch: 2 02:11:11 -110.093781 0.017526 LBFGSLineSearch: 3 02:11:12 -110.093838 0.018038 LBFGSLineSearch: 4 02:11:12 -110.093954 0.010323 LBFGSLineSearch: 5 02:11:12 -110.094007 0.008119 LBFGSLineSearch: 6 02:11:12 -110.094015 0.006358 LBFGSLineSearch: 7 02:11:13 -110.094021 0.008346 LBFGSLineSearch: 8 02:11:13 -110.094032 0.002878 LBFGSLineSearch: 9 02:11:13 -110.094035 0.003477 LBFGSLineSearch: 10 02:11:14 -110.094037 0.003099 LBFGSLineSearch: 11 02:11:14 -110.094039 0.003295 LBFGSLineSearch: 12 02:11:14 -110.094047 0.001576 LBFGSLineSearch: 13 02:11:14 -110.094049 0.000056 LBFGSLineSearch: 14 02:11:15 -110.094049 0.000000 Minimization converged after 14 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:20 -110.691834 0.029889 LBFGSLineSearch: 1 02:11:21 -110.692023 0.052180 LBFGSLineSearch: 2 02:11:21 -110.692280 0.017723 LBFGSLineSearch: 3 02:11:21 -110.692340 0.018295 LBFGSLineSearch: 4 02:11:22 -110.692462 0.010597 LBFGSLineSearch: 5 02:11:22 -110.692517 0.008968 LBFGSLineSearch: 6 02:11:22 -110.692526 0.006890 LBFGSLineSearch: 7 02:11:23 -110.692533 0.008838 LBFGSLineSearch: 8 02:11:23 -110.692545 0.002890 LBFGSLineSearch: 9 02:11:23 -110.692548 0.003576 LBFGSLineSearch: 10 02:11:23 -110.692550 0.003246 LBFGSLineSearch: 11 02:11:24 -110.692552 0.003367 LBFGSLineSearch: 12 02:11:24 -110.692563 0.001417 LBFGSLineSearch: 13 02:11:24 -110.692563 0.000074 LBFGSLineSearch: 14 02:11:24 -110.692563 0.000000 Minimization converged after 14 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:31 -111.291814 0.029963 LBFGSLineSearch: 1 02:11:31 -111.292001 0.052976 LBFGSLineSearch: 2 02:11:31 -111.292265 0.017920 LBFGSLineSearch: 3 02:11:32 -111.292327 0.018558 LBFGSLineSearch: 4 02:11:32 -111.292456 0.010894 LBFGSLineSearch: 5 02:11:32 -111.292514 0.010010 LBFGSLineSearch: 6 02:11:32 -111.292524 0.007520 LBFGSLineSearch: 7 02:11:32 -111.292532 0.009305 LBFGSLineSearch: 8 02:11:32 -111.292546 0.003060 LBFGSLineSearch: 9 02:11:33 -111.292549 0.003683 LBFGSLineSearch: 10 02:11:33 -111.292552 0.003397 LBFGSLineSearch: 11 02:11:33 -111.292553 0.003401 LBFGSLineSearch: 12 02:11:33 -111.292565 0.001554 LBFGSLineSearch: 13 02:11:34 -111.292565 0.000086 LBFGSLineSearch: 14 02:11:34 -111.292565 0.000000 Minimization converged after 14 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:41 -111.893327 0.030038 LBFGSLineSearch: 1 02:11:41 -111.893511 0.053762 LBFGSLineSearch: 2 02:11:41 -111.893784 0.018112 LBFGSLineSearch: 3 02:11:41 -111.893848 0.018827 LBFGSLineSearch: 4 02:11:42 -111.893983 0.011216 LBFGSLineSearch: 5 02:11:42 -111.894044 0.011319 LBFGSLineSearch: 6 02:11:42 -111.894056 0.008292 LBFGSLineSearch: 7 02:11:42 -111.894065 0.009700 LBFGSLineSearch: 8 02:11:42 -111.894081 0.003547 LBFGSLineSearch: 9 02:11:43 -111.894086 0.003805 LBFGSLineSearch: 10 02:11:43 -111.894088 0.003556 LBFGSLineSearch: 11 02:11:43 -111.894090 0.003442 LBFGSLineSearch: 12 02:11:44 -111.894103 0.001602 LBFGSLineSearch: 13 02:11:44 -111.894103 0.000087 LBFGSLineSearch: 14 02:11:45 -111.894103 0.000000 Minimization converged after 14 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:51 -112.496426 0.030116 LBFGSLineSearch: 1 02:11:51 -112.496607 0.054716 LBFGSLineSearch: 2 02:11:52 -112.496888 0.018303 LBFGSLineSearch: 3 02:11:52 -112.496955 0.019097 LBFGSLineSearch: 4 02:11:53 -112.497098 0.011573 LBFGSLineSearch: 5 02:11:53 -112.497162 0.012860 LBFGSLineSearch: 6 02:11:54 -112.497176 0.009235 LBFGSLineSearch: 7 02:11:54 -112.497186 0.010026 LBFGSLineSearch: 8 02:11:54 -112.497205 0.004061 LBFGSLineSearch: 9 02:11:54 -112.497211 0.003955 LBFGSLineSearch: 10 02:11:55 -112.497213 0.003723 LBFGSLineSearch: 11 02:11:55 -112.497215 0.003511 LBFGSLineSearch: 12 02:11:55 -112.497230 0.001482 LBFGSLineSearch: 13 02:11:55 -112.497230 0.000070 LBFGSLineSearch: 14 02:11:55 -112.497230 0.000000 Minimization converged after 14 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:02 -113.101171 0.030197 LBFGSLineSearch: 1 02:12:02 -113.101313 0.029591 LBFGSLineSearch: 2 02:12:03 -113.101639 0.018445 LBFGSLineSearch: 3 02:12:03 -113.101708 0.019722 LBFGSLineSearch: 4 02:12:03 -113.101859 0.011923 LBFGSLineSearch: 5 02:12:03 -113.101931 0.013408 LBFGSLineSearch: 6 02:12:04 -113.101945 0.009810 LBFGSLineSearch: 7 02:12:04 -113.101959 0.008999 LBFGSLineSearch: 8 02:12:04 -113.101979 0.004715 LBFGSLineSearch: 9 02:12:05 -113.101986 0.004169 LBFGSLineSearch: 10 02:12:05 -113.101989 0.003773 LBFGSLineSearch: 11 02:12:05 -113.101991 0.003624 LBFGSLineSearch: 12 02:12:06 -113.102007 0.000298 LBFGSLineSearch: 13 02:12:06 -113.102007 0.000009 Minimization converged after 13 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:12 -113.707632 0.030278 LBFGSLineSearch: 1 02:12:12 -113.707775 0.030517 LBFGSLineSearch: 2 02:12:12 -113.708107 0.018685 LBFGSLineSearch: 3 02:12:12 -113.708180 0.019955 LBFGSLineSearch: 4 02:12:13 -113.708339 0.012382 LBFGSLineSearch: 5 02:12:13 -113.708417 0.014198 LBFGSLineSearch: 6 02:12:13 -113.708433 0.010698 LBFGSLineSearch: 7 02:12:13 -113.708450 0.009477 LBFGSLineSearch: 8 02:12:14 -113.708474 0.005349 LBFGSLineSearch: 9 02:12:14 -113.708482 0.004415 LBFGSLineSearch: 10 02:12:15 -113.708486 0.003985 LBFGSLineSearch: 11 02:12:15 -113.708487 0.003767 LBFGSLineSearch: 12 02:12:15 -113.708506 0.000121 LBFGSLineSearch: 13 02:12:16 -113.708506 0.000019 LBFGSLineSearch: 14 02:12:16 -113.708506 0.000000 Minimization converged after 14 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:22 -114.315892 0.030369 LBFGSLineSearch: 1 02:12:22 -114.316034 0.031663 LBFGSLineSearch: 2 02:12:22 -114.316373 0.018812 LBFGSLineSearch: 3 02:12:23 -114.316449 0.020275 LBFGSLineSearch: 4 02:12:23 -114.316619 0.012755 LBFGSLineSearch: 5 02:12:23 -114.316698 0.018431 LBFGSLineSearch: 6 02:12:23 -114.316722 0.013040 LBFGSLineSearch: 7 02:12:24 -114.316737 0.008049 LBFGSLineSearch: 8 02:12:24 -114.316758 0.010948 LBFGSLineSearch: 9 02:12:24 -114.316780 0.003924 LBFGSLineSearch: 10 02:12:24 -114.316785 0.004704 LBFGSLineSearch: 11 02:12:25 -114.316789 0.003627 LBFGSLineSearch: 12 02:12:25 -114.316799 0.002842 LBFGSLineSearch: 13 02:12:25 -114.316811 0.000126 LBFGSLineSearch: 14 02:12:26 -114.316811 0.000000 Minimization converged after 14 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:32 -114.926051 0.030462 LBFGSLineSearch: 1 02:12:32 -114.926193 0.032761 LBFGSLineSearch: 2 02:12:32 -114.926539 0.018986 LBFGSLineSearch: 3 02:12:33 -114.926618 0.020550 LBFGSLineSearch: 4 02:12:33 -114.926799 0.013272 LBFGSLineSearch: 5 02:12:34 -114.926882 0.021554 LBFGSLineSearch: 6 02:12:34 -114.926913 0.015238 LBFGSLineSearch: 7 02:12:34 -114.926934 0.008921 LBFGSLineSearch: 8 02:12:34 -114.926958 0.011893 LBFGSLineSearch: 9 02:12:34 -114.926987 0.004338 LBFGSLineSearch: 10 02:12:35 -114.926994 0.005084 LBFGSLineSearch: 11 02:12:35 -114.926999 0.004029 LBFGSLineSearch: 12 02:12:35 -114.927008 0.003585 LBFGSLineSearch: 13 02:12:36 -114.927024 0.000093 LBFGSLineSearch: 14 02:12:36 -114.927024 0.000031 LBFGSLineSearch: 15 02:12:37 -114.927024 0.000000 Minimization converged after 15 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:42 -115.538233 0.030560 LBFGSLineSearch: 1 02:12:43 -115.538375 0.033914 LBFGSLineSearch: 2 02:12:43 -115.538728 0.019154 LBFGSLineSearch: 3 02:12:44 -115.538811 0.020820 LBFGSLineSearch: 4 02:12:44 -115.539005 0.013876 LBFGSLineSearch: 5 02:12:44 -115.539092 0.024447 LBFGSLineSearch: 6 02:12:45 -115.539145 0.011132 LBFGSLineSearch: 7 02:12:45 -115.539197 0.008016 LBFGSLineSearch: 8 02:12:45 -115.539224 0.007686 LBFGSLineSearch: 9 02:12:45 -115.539237 0.005716 LBFGSLineSearch: 10 02:12:46 -115.539242 0.005227 LBFGSLineSearch: 11 02:12:46 -115.539246 0.004664 LBFGSLineSearch: 12 02:12:47 -115.539277 0.000479 LBFGSLineSearch: 13 02:12:47 -115.539277 0.000012 LBFGSLineSearch: 14 02:12:47 -115.539277 0.000000 Minimization converged after 14 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:53 -116.152602 0.030666 LBFGSLineSearch: 1 02:12:54 -116.152743 0.035142 LBFGSLineSearch: 2 02:12:54 -116.153104 0.019311 LBFGSLineSearch: 3 02:12:54 -116.153192 0.021077 LBFGSLineSearch: 4 02:12:55 -116.153401 0.014608 LBFGSLineSearch: 5 02:12:55 -116.153493 0.027067 LBFGSLineSearch: 6 02:12:55 -116.153566 0.013000 LBFGSLineSearch: 7 02:12:55 -116.153634 0.009146 LBFGSLineSearch: 8 02:12:56 -116.153670 0.009471 LBFGSLineSearch: 9 02:12:56 -116.153689 0.006534 LBFGSLineSearch: 10 02:12:56 -116.153696 0.005993 LBFGSLineSearch: 11 02:12:57 -116.153699 0.005424 LBFGSLineSearch: 12 02:12:57 -116.153707 0.008284 LBFGSLineSearch: 13 02:12:57 -116.153736 0.003303 LBFGSLineSearch: 14 02:12:57 -116.153742 0.000004 Minimization converged after 14 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:04 -116.769387 0.030783 LBFGSLineSearch: 1 02:13:04 -116.769528 0.036459 LBFGSLineSearch: 2 02:13:04 -116.769897 0.019464 LBFGSLineSearch: 3 02:13:04 -116.769990 0.021303 LBFGSLineSearch: 4 02:13:04 -116.770216 0.015497 LBFGSLineSearch: 5 02:13:05 -116.770318 0.030063 LBFGSLineSearch: 6 02:13:05 -116.770417 0.015326 LBFGSLineSearch: 7 02:13:05 -116.770511 0.010583 LBFGSLineSearch: 8 02:13:05 -116.770562 0.012023 LBFGSLineSearch: 9 02:13:06 -116.770591 0.007838 LBFGSLineSearch: 10 02:13:06 -116.770601 0.007180 LBFGSLineSearch: 11 02:13:06 -116.770606 0.006515 LBFGSLineSearch: 12 02:13:06 -116.770616 0.009917 LBFGSLineSearch: 13 02:13:07 -116.770659 0.004107 LBFGSLineSearch: 14 02:13:07 -116.770668 0.000012 LBFGSLineSearch: 15 02:13:08 -116.770668 0.000001 Minimization converged after 15 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:14 -117.388941 0.030914 LBFGSLineSearch: 1 02:13:14 -117.389081 0.037970 LBFGSLineSearch: 2 02:13:15 -117.389459 0.019571 LBFGSLineSearch: 3 02:13:15 -117.389559 0.021497 LBFGSLineSearch: 4 02:13:15 -117.389807 0.016698 LBFGSLineSearch: 5 02:13:16 -117.389921 0.033651 LBFGSLineSearch: 6 02:13:16 -117.390062 0.018667 LBFGSLineSearch: 7 02:13:16 -117.390203 0.012888 LBFGSLineSearch: 8 02:13:16 -117.390279 0.016347 LBFGSLineSearch: 9 02:13:17 -117.390334 0.010230 LBFGSLineSearch: 10 02:13:17 -117.390349 0.009262 LBFGSLineSearch: 11 02:13:17 -117.390358 0.008492 LBFGSLineSearch: 12 02:13:18 -117.390376 0.012691 LBFGSLineSearch: 13 02:13:18 -117.390469 0.000790 LBFGSLineSearch: 14 02:13:18 -117.390469 0.000109 LBFGSLineSearch: 15 02:13:19 -117.390469 0.000000 Minimization converged after 15 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:25 -118.011935 0.031074 LBFGSLineSearch: 1 02:13:25 -118.012075 0.039770 LBFGSLineSearch: 2 02:13:25 -118.012464 0.019648 LBFGSLineSearch: 3 02:13:25 -118.012571 0.021579 LBFGSLineSearch: 4 02:13:25 -118.012849 0.018439 LBFGSLineSearch: 5 02:13:26 -118.012988 0.039096 LBFGSLineSearch: 6 02:13:26 -118.013200 0.023898 LBFGSLineSearch: 7 02:13:26 -118.013447 0.018698 LBFGSLineSearch: 8 02:13:26 -118.013591 0.024987 LBFGSLineSearch: 9 02:13:26 -118.013729 0.016460 LBFGSLineSearch: 10 02:13:26 -118.013763 0.014110 LBFGSLineSearch: 11 02:13:27 -118.013804 0.013755 LBFGSLineSearch: 12 02:13:27 -118.013901 0.012630 LBFGSLineSearch: 13 02:13:27 -118.014101 0.008480 LBFGSLineSearch: 14 02:13:28 -118.014146 0.002950 LBFGSLineSearch: 15 02:13:28 -118.014156 0.000342 LBFGSLineSearch: 16 02:13:28 -118.014156 0.000163 LBFGSLineSearch: 17 02:13:29 -118.014156 0.000010 LBFGSLineSearch: 18 02:13:29 -118.014156 0.000000 Minimization converged after 18 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:35 -118.640855 0.031335 LBFGSLineSearch: 1 02:13:35 -118.640994 0.042727 LBFGSLineSearch: 2 02:13:36 -118.641397 0.019547 LBFGSLineSearch: 3 02:13:36 -118.641521 0.023733 LBFGSLineSearch: 4 02:13:37 -118.641857 0.022276 LBFGSLineSearch: 5 02:13:37 -118.642074 0.052499 LBFGSLineSearch: 6 02:13:37 -118.642518 0.038161 LBFGSLineSearch: 7 02:13:38 -118.643662 0.054713 LBFGSLineSearch: 8 02:13:38 -118.860998 0.733121 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 8 steps. Final forces: [[ 1.51569387e-17 3.73291226e-01 -1.05454972e-01] [-3.23279685e-01 -1.86645613e-01 -1.05454972e-01] [ 3.23279685e-01 -1.86645613e-01 -1.05454972e-01] [-1.27915088e-18 -3.73291226e-01 -1.05454972e-01] [ 3.23279685e-01 1.86645613e-01 -1.05454972e-01] [-3.23279685e-01 1.86645613e-01 -1.05454972e-01] [ 3.67952586e-30 -8.02365598e-22 1.42598102e-01] [ 1.49480738e-30 -8.02365619e-22 1.42598102e-01] [ 2.04067438e-20 -1.85639299e-03 1.79592477e-01] [ 1.60768349e-03 9.28196497e-04 1.79592477e-01] [-1.60768349e-03 9.28196497e-04 1.79592477e-01] [ 8.80134735e-20 1.85639299e-03 1.79592477e-01] [-1.60768349e-03 -9.28196497e-04 1.79592477e-01] [ 1.60768349e-03 -9.28196497e-04 1.79592477e-01] [-2.33075256e-17 6.02568789e-01 -1.21670206e-01] [-5.21839879e-01 -3.01284395e-01 -1.21670206e-01] [ 5.21839879e-01 -3.01284395e-01 -1.21670206e-01] [-4.44804997e-18 -6.02568789e-01 -1.21670206e-01] [ 5.21839879e-01 3.01284395e-01 -1.21670206e-01] [-5.21839879e-01 3.01284395e-01 -1.21670206e-01]] Final stress: [7.54395923e-02 7.54395923e-02 8.23365336e-03 4.07497235e-22 5.91351484e-38 1.30010033e-17] Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:44 -119.547388 0.767440 LBFGSLineSearch: 1 02:13:45 -119.625371 0.807081 LBFGSLineSearch: 2 02:13:45 -119.639176 0.630183 LBFGSLineSearch: 3 02:13:45 -119.659620 0.854395 LBFGSLineSearch: 4 02:13:45 -120.853039 2.506764 LBFGSLineSearch: 5 02:13:46 -120.854152 2.641488 LBFGSLineSearch: 6 02:13:46 -121.073373 1.812526 LBFGSLineSearch: 7 02:13:46 -121.241732 0.808603 LBFGSLineSearch: 8 02:13:47 -121.278631 0.503392 LBFGSLineSearch: 9 02:13:48 -121.297401 0.405987 LBFGSLineSearch: 10 02:13:48 -121.309217 0.390679 LBFGSLineSearch: 11 02:13:48 -121.321650 0.284620 LBFGSLineSearch: 12 02:13:49 -121.328081 0.284217 LBFGSLineSearch: 13 02:13:49 -121.333058 0.364169 LBFGSLineSearch: 14 02:13:49 -121.336722 0.180940 LBFGSLineSearch: 15 02:13:50 -121.338312 0.117211 LBFGSLineSearch: 16 02:13:50 -121.338957 0.062955 LBFGSLineSearch: 17 02:13:50 -121.339312 0.048086 LBFGSLineSearch: 18 02:13:51 -121.339812 0.107361 LBFGSLineSearch: 19 02:13:51 -121.340808 0.084746 LBFGSLineSearch: 20 02:13:52 -121.348582 0.675810 LBFGSLineSearch: 21 02:13:52 -121.348598 0.675269 LBFGSLineSearch: 22 02:13:53 -121.450683 0.793052 LBFGSLineSearch: 23 02:13:53 -121.909439 1.899158 LBFGSLineSearch: 24 02:13:54 -122.105862 1.818523 LBFGSLineSearch: 25 02:13:54 -122.300241 1.030306 LBFGSLineSearch: 26 02:13:54 -122.525154 1.414438 LBFGSLineSearch: 27 02:13:55 -122.977803 1.560684 LBFGSLineSearch: 28 02:13:55 -123.163694 0.666744 LBFGSLineSearch: 29 02:13:55 -123.226987 0.693611 LBFGSLineSearch: 30 02:13:56 -123.232913 0.765291 LBFGSLineSearch: 31 02:13:56 -123.255229 0.756774 LBFGSLineSearch: 32 02:13:56 -123.273013 0.713826 LBFGSLineSearch: 33 02:13:56 -123.298180 0.756422 LBFGSLineSearch: 34 02:13:57 -123.299816 0.594816 LBFGSLineSearch: 35 02:13:57 -123.312450 0.424083 LBFGSLineSearch: 36 02:13:57 -123.314861 0.209446 LBFGSLineSearch: 37 02:13:58 -123.315744 0.047443 LBFGSLineSearch: 38 02:13:58 -123.315759 0.002357 LBFGSLineSearch: 39 02:13:58 -123.315760 0.001351 LBFGSLineSearch: 40 02:13:59 -123.315760 0.000279 LBFGSLineSearch: 41 02:13:59 -123.315760 0.000016 LBFGSLineSearch: 42 02:13:59 -123.315760 0.000001 Minimization converged after 42 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:05 -124.019247 0.035175 LBFGSLineSearch: 1 02:14:06 -124.019269 0.049334 LBFGSLineSearch: 2 02:14:06 -124.019291 0.062852 LBFGSLineSearch: 3 02:14:06 -124.019364 0.051715 LBFGSLineSearch: 4 02:14:06 -124.019396 0.023163 LBFGSLineSearch: 5 02:14:06 -124.019459 0.010430 LBFGSLineSearch: 6 02:14:07 -124.019473 0.019082 LBFGSLineSearch: 7 02:14:07 -124.019501 0.003323 LBFGSLineSearch: 8 02:14:08 -124.019504 0.001338 LBFGSLineSearch: 9 02:14:08 -124.019504 0.002236 LBFGSLineSearch: 10 02:14:08 -124.019505 0.000971 LBFGSLineSearch: 11 02:14:08 -124.019505 0.000003 Minimization converged after 11 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:15 -124.723507 0.035200 LBFGSLineSearch: 1 02:14:15 -124.723529 0.049358 LBFGSLineSearch: 2 02:14:15 -124.723551 0.062937 LBFGSLineSearch: 3 02:14:15 -124.723623 0.052139 LBFGSLineSearch: 4 02:14:16 -124.723655 0.023263 LBFGSLineSearch: 5 02:14:16 -124.723718 0.010401 LBFGSLineSearch: 6 02:14:16 -124.723731 0.019170 LBFGSLineSearch: 7 02:14:16 -124.723761 0.003388 LBFGSLineSearch: 8 02:14:17 -124.723764 0.001290 LBFGSLineSearch: 9 02:14:17 -124.723764 0.001514 LBFGSLineSearch: 10 02:14:17 -124.723765 0.000565 LBFGSLineSearch: 11 02:14:18 -124.723765 0.000002 Minimization converged after 11 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:24 -125.428282 0.035225 LBFGSLineSearch: 1 02:14:24 -125.428303 0.049378 LBFGSLineSearch: 2 02:14:24 -125.428325 0.062661 LBFGSLineSearch: 3 02:14:24 -125.428395 0.054833 LBFGSLineSearch: 4 02:14:25 -125.428428 0.022562 LBFGSLineSearch: 5 02:14:25 -125.428477 0.010876 LBFGSLineSearch: 6 02:14:25 -125.428501 0.013028 LBFGSLineSearch: 7 02:14:26 -125.428516 0.013810 LBFGSLineSearch: 8 02:14:26 -125.428538 0.001764 LBFGSLineSearch: 9 02:14:26 -125.428539 0.002314 LBFGSLineSearch: 10 02:14:27 -125.428539 0.000091 LBFGSLineSearch: 11 02:14:27 -125.428539 0.000001 Minimization converged after 11 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:34 -126.133571 0.035252 LBFGSLineSearch: 1 02:14:34 -126.133592 0.049417 LBFGSLineSearch: 2 02:14:34 -126.133615 0.063670 LBFGSLineSearch: 3 02:14:34 -126.133702 0.060769 LBFGSLineSearch: 4 02:14:34 -126.133733 0.016799 LBFGSLineSearch: 5 02:14:34 -126.133779 0.020471 LBFGSLineSearch: 6 02:14:35 -126.133810 0.027866 LBFGSLineSearch: 7 02:14:35 -126.133822 0.009632 LBFGSLineSearch: 8 02:14:35 -126.133835 0.002469 LBFGSLineSearch: 9 02:14:36 -126.133835 0.003398 LBFGSLineSearch: 10 02:14:36 -126.133836 0.000403 LBFGSLineSearch: 11 02:14:37 -126.133836 0.000001 Minimization converged after 11 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:43 -126.839430 0.035280 LBFGSLineSearch: 1 02:14:43 -126.839452 0.050538 LBFGSLineSearch: 2 02:14:44 -126.839479 0.070486 LBFGSLineSearch: 3 02:14:44 -126.839601 0.081536 LBFGSLineSearch: 4 02:14:44 -126.839643 0.014624 LBFGSLineSearch: 5 02:14:44 -126.839675 0.017732 LBFGSLineSearch: 6 02:14:44 -126.839696 0.018825 LBFGSLineSearch: 7 02:14:44 -126.839726 0.014547 LBFGSLineSearch: 8 02:14:44 -126.839756 0.005270 LBFGSLineSearch: 9 02:14:44 -126.839762 0.000479 LBFGSLineSearch: 10 02:14:45 -126.839762 0.001290 LBFGSLineSearch: 11 02:14:45 -126.839762 0.000017 LBFGSLineSearch: 12 02:14:45 -126.839762 0.000000 Minimization converged after 12 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:52 -127.546018 0.035313 LBFGSLineSearch: 1 02:14:52 -127.546040 0.050566 LBFGSLineSearch: 2 02:14:52 -127.546067 0.070827 LBFGSLineSearch: 3 02:14:52 -127.546188 0.080476 LBFGSLineSearch: 4 02:14:52 -127.546228 0.014766 LBFGSLineSearch: 5 02:14:53 -127.546259 0.018082 LBFGSLineSearch: 6 02:14:53 -127.546280 0.019164 LBFGSLineSearch: 7 02:14:53 -127.546312 0.014606 LBFGSLineSearch: 8 02:14:53 -127.546342 0.005504 LBFGSLineSearch: 9 02:14:53 -127.546348 0.000466 LBFGSLineSearch: 10 02:14:53 -127.546348 0.001060 LBFGSLineSearch: 11 02:14:53 -127.546348 0.000018 LBFGSLineSearch: 12 02:14:53 -127.546348 0.000000 Minimization converged after 12 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:00 -128.253263 0.035346 LBFGSLineSearch: 1 02:15:00 -128.253284 0.050590 LBFGSLineSearch: 2 02:15:00 -128.253311 0.071174 LBFGSLineSearch: 3 02:15:00 -128.253431 0.079374 LBFGSLineSearch: 4 02:15:01 -128.253470 0.015168 LBFGSLineSearch: 5 02:15:01 -128.253506 0.021255 LBFGSLineSearch: 6 02:15:01 -128.253562 0.012379 LBFGSLineSearch: 7 02:15:01 -128.253578 0.006639 LBFGSLineSearch: 8 02:15:02 -128.253586 0.004236 LBFGSLineSearch: 9 02:15:02 -128.253589 0.001668 LBFGSLineSearch: 10 02:15:02 -128.253590 0.000332 LBFGSLineSearch: 11 02:15:02 -128.253590 0.000265 LBFGSLineSearch: 12 02:15:03 -128.253590 0.000014 LBFGSLineSearch: 13 02:15:03 -128.253590 0.000000 Minimization converged after 13 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:09 -128.961158 0.035378 LBFGSLineSearch: 1 02:15:09 -128.961180 0.050611 LBFGSLineSearch: 2 02:15:09 -128.961207 0.071521 LBFGSLineSearch: 3 02:15:10 -128.961325 0.078245 LBFGSLineSearch: 4 02:15:10 -128.961362 0.015570 LBFGSLineSearch: 5 02:15:10 -128.961398 0.021704 LBFGSLineSearch: 6 02:15:11 -128.961456 0.012094 LBFGSLineSearch: 7 02:15:11 -128.961471 0.006818 LBFGSLineSearch: 8 02:15:11 -128.961480 0.004513 LBFGSLineSearch: 9 02:15:11 -128.961483 0.001892 LBFGSLineSearch: 10 02:15:12 -128.961483 0.000320 LBFGSLineSearch: 11 02:15:12 -128.961483 0.000232 LBFGSLineSearch: 12 02:15:12 -128.961483 0.000028 LBFGSLineSearch: 13 02:15:12 -128.961483 0.000000 Minimization converged after 13 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:18 -129.669701 0.035411 LBFGSLineSearch: 1 02:15:19 -129.669723 0.050629 LBFGSLineSearch: 2 02:15:19 -129.669750 0.071871 LBFGSLineSearch: 3 02:15:19 -129.669867 0.077095 LBFGSLineSearch: 4 02:15:20 -129.669902 0.015970 LBFGSLineSearch: 5 02:15:20 -129.669937 0.022158 LBFGSLineSearch: 6 02:15:20 -129.669999 0.011655 LBFGSLineSearch: 7 02:15:21 -129.670011 0.006982 LBFGSLineSearch: 8 02:15:21 -129.670021 0.004683 LBFGSLineSearch: 9 02:15:21 -129.670024 0.002057 LBFGSLineSearch: 10 02:15:21 -129.670025 0.000308 LBFGSLineSearch: 11 02:15:22 -129.670025 0.000208 LBFGSLineSearch: 12 02:15:22 -129.670025 0.000059 LBFGSLineSearch: 13 02:15:22 -129.670025 0.000000 Minimization converged after 13 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:28 -130.378888 0.035443 LBFGSLineSearch: 1 02:15:28 -130.378910 0.050643 LBFGSLineSearch: 2 02:15:28 -130.378938 0.072225 LBFGSLineSearch: 3 02:15:28 -130.379053 0.075931 LBFGSLineSearch: 4 02:15:29 -130.379086 0.016366 LBFGSLineSearch: 5 02:15:29 -130.379121 0.022622 LBFGSLineSearch: 6 02:15:29 -130.379185 0.011033 LBFGSLineSearch: 7 02:15:29 -130.379196 0.007134 LBFGSLineSearch: 8 02:15:30 -130.379204 0.005658 LBFGSLineSearch: 9 02:15:30 -130.379209 0.002054 LBFGSLineSearch: 10 02:15:30 -130.379210 0.000472 LBFGSLineSearch: 11 02:15:30 -130.379210 0.000277 LBFGSLineSearch: 12 02:15:31 -130.379210 0.000339 LBFGSLineSearch: 13 02:15:31 -130.379210 0.000027 LBFGSLineSearch: 14 02:15:31 -130.379210 0.000000 Minimization converged after 14 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:38 -131.088716 0.035475 LBFGSLineSearch: 1 02:15:38 -131.088737 0.050653 LBFGSLineSearch: 2 02:15:38 -131.088765 0.072584 LBFGSLineSearch: 3 02:15:38 -131.088879 0.074759 LBFGSLineSearch: 4 02:15:39 -131.088911 0.016758 LBFGSLineSearch: 5 02:15:39 -131.088945 0.023097 LBFGSLineSearch: 6 02:15:39 -131.089011 0.010184 LBFGSLineSearch: 7 02:15:40 -131.089024 0.008132 LBFGSLineSearch: 8 02:15:40 -131.089035 0.000380 LBFGSLineSearch: 9 02:15:40 -131.089035 0.000837 LBFGSLineSearch: 10 02:15:41 -131.089035 0.000206 LBFGSLineSearch: 11 02:15:41 -131.089035 0.000000 Minimization converged after 11 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:47 -131.799180 0.035507 LBFGSLineSearch: 1 02:15:47 -131.799201 0.050661 LBFGSLineSearch: 2 02:15:48 -131.799229 0.072948 LBFGSLineSearch: 3 02:15:48 -131.799342 0.073582 LBFGSLineSearch: 4 02:15:48 -131.799373 0.017143 LBFGSLineSearch: 5 02:15:48 -131.799408 0.023585 LBFGSLineSearch: 6 02:15:49 -131.799474 0.009053 LBFGSLineSearch: 7 02:15:49 -131.799490 0.006898 LBFGSLineSearch: 8 02:15:49 -131.799497 0.002862 LBFGSLineSearch: 9 02:15:49 -131.799498 0.000306 LBFGSLineSearch: 10 02:15:50 -131.799498 0.000174 LBFGSLineSearch: 11 02:15:50 -131.799498 0.000000 Minimization converged after 11 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:57 -132.510278 0.035539 LBFGSLineSearch: 1 02:15:57 -132.510300 0.050666 LBFGSLineSearch: 2 02:15:57 -132.510328 0.070907 LBFGSLineSearch: 3 02:15:57 -132.510439 0.072408 LBFGSLineSearch: 4 02:15:57 -132.510468 0.018170 LBFGSLineSearch: 5 02:15:57 -132.510504 0.022574 LBFGSLineSearch: 6 02:15:57 -132.510571 0.009640 LBFGSLineSearch: 7 02:15:57 -132.510592 0.014869 LBFGSLineSearch: 8 02:15:58 -132.510595 0.002334 LBFGSLineSearch: 9 02:15:58 -132.510595 0.000292 LBFGSLineSearch: 10 02:15:58 -132.510595 0.001258 LBFGSLineSearch: 11 02:15:58 -132.510595 0.000494 LBFGSLineSearch: 12 02:15:58 -132.510595 0.000000 Minimization converged after 12 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:04 -133.222008 0.035571 LBFGSLineSearch: 1 02:16:04 -133.222030 0.050667 LBFGSLineSearch: 2 02:16:04 -133.222058 0.069153 LBFGSLineSearch: 3 02:16:05 -133.222168 0.070635 LBFGSLineSearch: 4 02:16:05 -133.222196 0.019091 LBFGSLineSearch: 5 02:16:05 -133.222233 0.021479 LBFGSLineSearch: 6 02:16:05 -133.222298 0.010865 LBFGSLineSearch: 7 02:16:05 -133.222318 0.016889 LBFGSLineSearch: 8 02:16:06 -133.222323 0.004688 LBFGSLineSearch: 9 02:16:06 -133.222324 0.000276 LBFGSLineSearch: 10 02:16:06 -133.222324 0.000668 LBFGSLineSearch: 11 02:16:06 -133.222324 0.000192 LBFGSLineSearch: 12 02:16:06 -133.222324 0.000000 Minimization converged after 12 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:12 -133.934367 0.035602 LBFGSLineSearch: 1 02:16:12 -133.934388 0.050667 LBFGSLineSearch: 2 02:16:13 -133.934417 0.068713 LBFGSLineSearch: 3 02:16:13 -133.934525 0.068801 LBFGSLineSearch: 4 02:16:13 -133.934552 0.019641 LBFGSLineSearch: 5 02:16:13 -133.934591 0.021049 LBFGSLineSearch: 6 02:16:14 -133.934655 0.010949 LBFGSLineSearch: 7 02:16:14 -133.934675 0.014004 LBFGSLineSearch: 8 02:16:14 -133.934680 0.004648 LBFGSLineSearch: 9 02:16:14 -133.934681 0.000262 LBFGSLineSearch: 10 02:16:15 -133.934681 0.000366 LBFGSLineSearch: 11 02:16:15 -133.934681 0.000000 Minimization converged after 11 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:21 -134.647353 0.035634 LBFGSLineSearch: 1 02:16:21 -134.647374 0.050664 LBFGSLineSearch: 2 02:16:22 -134.647403 0.069569 LBFGSLineSearch: 3 02:16:22 -134.647510 0.067828 LBFGSLineSearch: 4 02:16:22 -134.647535 0.019901 LBFGSLineSearch: 5 02:16:23 -134.647577 0.021330 LBFGSLineSearch: 6 02:16:23 -134.647639 0.010200 LBFGSLineSearch: 7 02:16:23 -134.647661 0.012973 LBFGSLineSearch: 8 02:16:23 -134.647665 0.003312 LBFGSLineSearch: 9 02:16:24 -134.647666 0.000248 LBFGSLineSearch: 10 02:16:24 -134.647666 0.000483 LBFGSLineSearch: 11 02:16:24 -134.647666 0.000203 LBFGSLineSearch: 12 02:16:24 -134.647666 0.000000 Minimization converged after 12 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:30 -135.360963 0.035665 LBFGSLineSearch: 1 02:16:31 -135.360985 0.050657 LBFGSLineSearch: 2 02:16:31 -135.361013 0.071873 LBFGSLineSearch: 3 02:16:31 -135.361119 0.067664 LBFGSLineSearch: 4 02:16:32 -135.361144 0.019829 LBFGSLineSearch: 5 02:16:32 -135.361190 0.022844 LBFGSLineSearch: 6 02:16:32 -135.361248 0.009718 LBFGSLineSearch: 7 02:16:33 -135.361274 0.010663 LBFGSLineSearch: 8 02:16:33 -135.361275 0.001008 LBFGSLineSearch: 9 02:16:33 -135.361275 0.000280 LBFGSLineSearch: 10 02:16:34 -135.361275 0.000699 LBFGSLineSearch: 11 02:16:34 -135.361276 0.000516 LBFGSLineSearch: 12 02:16:34 -135.361276 0.000057 LBFGSLineSearch: 13 02:16:34 -135.361276 0.000000 Minimization converged after 13 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:41 -136.075197 0.035696 LBFGSLineSearch: 1 02:16:41 -136.075218 0.050649 LBFGSLineSearch: 2 02:16:41 -136.075248 0.076007 LBFGSLineSearch: 3 02:16:41 -136.075352 0.068318 LBFGSLineSearch: 4 02:16:41 -136.075375 0.019354 LBFGSLineSearch: 5 02:16:41 -136.075425 0.026294 LBFGSLineSearch: 6 02:16:42 -136.075481 0.009477 LBFGSLineSearch: 7 02:16:42 -136.075507 0.010303 LBFGSLineSearch: 8 02:16:42 -136.075509 0.001112 LBFGSLineSearch: 9 02:16:42 -136.075509 0.000348 LBFGSLineSearch: 10 02:16:42 -136.075509 0.000756 LBFGSLineSearch: 11 02:16:43 -136.075509 0.000224 LBFGSLineSearch: 12 02:16:43 -136.075509 0.000000 Minimization converged after 12 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:49 -136.790053 0.035727 LBFGSLineSearch: 1 02:16:49 -136.790074 0.050639 LBFGSLineSearch: 2 02:16:50 -136.790103 0.082715 LBFGSLineSearch: 3 02:16:50 -136.790211 0.036483 LBFGSLineSearch: 4 02:16:50 -136.790233 0.022946 LBFGSLineSearch: 5 02:16:51 -136.790291 0.032111 LBFGSLineSearch: 6 02:16:51 -136.790335 0.021698 LBFGSLineSearch: 7 02:16:51 -136.790345 0.012297 LBFGSLineSearch: 8 02:16:51 -136.790362 0.017305 LBFGSLineSearch: 9 02:16:51 -136.790364 0.002626 LBFGSLineSearch: 10 02:16:52 -136.790364 0.001241 LBFGSLineSearch: 11 02:16:52 -136.790364 0.000355 LBFGSLineSearch: 12 02:16:52 -136.790364 0.000156 LBFGSLineSearch: 13 02:16:52 -136.790364 0.000050 LBFGSLineSearch: 14 02:16:53 -136.790364 0.000000 Minimization converged after 14 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:59 -137.505530 0.035758 LBFGSLineSearch: 1 02:16:59 -137.505551 0.050082 LBFGSLineSearch: 2 02:17:00 -137.505583 0.078916 LBFGSLineSearch: 3 02:17:00 -137.505711 0.018938 LBFGSLineSearch: 4 02:17:00 -137.505774 0.039099 LBFGSLineSearch: 5 02:17:00 -137.505825 0.018772 LBFGSLineSearch: 6 02:17:00 -137.505854 0.014060 LBFGSLineSearch: 7 02:17:00 -137.505872 0.016629 LBFGSLineSearch: 8 02:17:01 -137.505886 0.004518 LBFGSLineSearch: 9 02:17:01 -137.505888 0.008352 LBFGSLineSearch: 10 02:17:01 -137.505889 0.002233 LBFGSLineSearch: 11 02:17:02 -137.505889 0.000186 LBFGSLineSearch: 12 02:17:02 -137.505889 0.000566 LBFGSLineSearch: 13 02:17:02 -137.505889 0.000161 LBFGSLineSearch: 14 02:17:02 -137.505889 0.000001 Minimization converged after 14 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:08 -138.221875 0.035799 LBFGSLineSearch: 1 02:17:08 -138.221900 0.048912 LBFGSLineSearch: 2 02:17:09 -138.221971 0.087005 LBFGSLineSearch: 3 02:17:09 -138.222126 0.033824 LBFGSLineSearch: 4 02:17:09 -138.222261 0.033706 LBFGSLineSearch: 5 02:17:09 -138.222299 0.046891 LBFGSLineSearch: 6 02:17:09 -138.222321 0.014072 LBFGSLineSearch: 7 02:17:09 -138.222369 0.025097 LBFGSLineSearch: 8 02:17:09 -138.222390 0.017948 LBFGSLineSearch: 9 02:17:10 -138.222394 0.005177 LBFGSLineSearch: 10 02:17:10 -138.222394 0.001013 LBFGSLineSearch: 11 02:17:10 -138.222394 0.001962 LBFGSLineSearch: 12 02:17:10 -138.222394 0.002703 LBFGSLineSearch: 13 02:17:10 -138.222394 0.001515 LBFGSLineSearch: 14 02:17:10 -138.222394 0.000264 LBFGSLineSearch: 15 02:17:11 -138.222394 0.001137 LBFGSLineSearch: 16 02:17:11 -138.222394 0.000108 LBFGSLineSearch: 17 02:17:11 -138.222394 0.000004 Minimization converged after 17 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:17 -138.939421 0.035852 LBFGSLineSearch: 1 02:17:18 -138.939448 0.047224 LBFGSLineSearch: 2 02:17:18 -138.939517 0.070521 LBFGSLineSearch: 3 02:17:18 -138.939684 0.064746 LBFGSLineSearch: 4 02:17:18 -138.939834 0.024462 LBFGSLineSearch: 5 02:17:18 -138.939865 0.016604 LBFGSLineSearch: 6 02:17:19 -138.939891 0.033921 LBFGSLineSearch: 7 02:17:19 -138.939945 0.021666 LBFGSLineSearch: 8 02:17:19 -138.939948 0.008586 LBFGSLineSearch: 9 02:17:19 -138.939949 0.001840 LBFGSLineSearch: 10 02:17:19 -138.939949 0.001018 LBFGSLineSearch: 11 02:17:20 -138.939949 0.000561 LBFGSLineSearch: 12 02:17:20 -138.939949 0.000759 LBFGSLineSearch: 13 02:17:20 -138.939949 0.000716 LBFGSLineSearch: 14 02:17:20 -138.939949 0.000678 LBFGSLineSearch: 15 02:17:20 -138.939949 0.000820 LBFGSLineSearch: 16 02:17:20 -138.939949 0.000001 Minimization converged after 16 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:26 -139.658063 0.035906 LBFGSLineSearch: 1 02:17:26 -139.658101 0.058585 LBFGSLineSearch: 2 02:17:26 -139.658461 0.042083 LBFGSLineSearch: 3 02:17:27 -139.658811 0.108432 LBFGSLineSearch: 4 02:17:27 -139.658863 0.036329 LBFGSLineSearch: 5 02:17:27 -139.658916 0.070972 LBFGSLineSearch: 6 02:17:27 -139.659026 0.005548 LBFGSLineSearch: 7 02:17:27 -139.659034 0.002477 LBFGSLineSearch: 8 02:17:27 -139.659034 0.001090 LBFGSLineSearch: 9 02:17:27 -139.659034 0.002102 LBFGSLineSearch: 10 02:17:27 -139.659035 0.000154 LBFGSLineSearch: 11 02:17:27 -139.659035 0.000029 LBFGSLineSearch: 12 02:17:28 -139.659035 0.000001 Minimization converged after 12 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:33 -140.379098 0.036004 LBFGSLineSearch: 1 02:17:34 -140.379136 0.059467 LBFGSLineSearch: 2 02:17:34 -140.379498 0.042723 LBFGSLineSearch: 3 02:17:34 -140.379857 0.106716 LBFGSLineSearch: 4 02:17:34 -140.379910 0.036296 LBFGSLineSearch: 5 02:17:34 -140.379964 0.069952 LBFGSLineSearch: 6 02:17:34 -140.380079 0.005662 LBFGSLineSearch: 7 02:17:35 -140.380087 0.003343 LBFGSLineSearch: 8 02:17:35 -140.380087 0.001095 LBFGSLineSearch: 9 02:17:35 -140.380088 0.002715 LBFGSLineSearch: 10 02:17:35 -140.380088 0.000152 LBFGSLineSearch: 11 02:17:35 -140.380088 0.000038 LBFGSLineSearch: 12 02:17:35 -140.380088 0.000000 Minimization converged after 12 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:41 -141.102138 0.036103 LBFGSLineSearch: 1 02:17:41 -141.102175 0.060344 LBFGSLineSearch: 2 02:17:42 -141.102541 0.043384 LBFGSLineSearch: 3 02:17:42 -141.102908 0.105127 LBFGSLineSearch: 4 02:17:42 -141.102963 0.036509 LBFGSLineSearch: 5 02:17:42 -141.103018 0.068749 LBFGSLineSearch: 6 02:17:43 -141.103140 0.006117 LBFGSLineSearch: 7 02:17:43 -141.103148 0.004891 LBFGSLineSearch: 8 02:17:43 -141.103149 0.001143 LBFGSLineSearch: 9 02:17:43 -141.103149 0.003104 LBFGSLineSearch: 10 02:17:43 -141.103150 0.000152 LBFGSLineSearch: 11 02:17:43 -141.103150 0.000064 LBFGSLineSearch: 12 02:17:43 -141.103150 0.000001 Minimization converged after 12 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:49 -141.827236 0.036204 LBFGSLineSearch: 1 02:17:49 -141.827273 0.061239 LBFGSLineSearch: 2 02:17:49 -141.827644 0.044379 LBFGSLineSearch: 3 02:17:49 -141.828030 0.105619 LBFGSLineSearch: 4 02:17:49 -141.828089 0.038045 LBFGSLineSearch: 5 02:17:49 -141.828150 0.070128 LBFGSLineSearch: 6 02:17:50 -141.828293 0.007173 LBFGSLineSearch: 7 02:17:50 -141.828302 0.007482 LBFGSLineSearch: 8 02:17:50 -141.828303 0.001451 LBFGSLineSearch: 9 02:17:50 -141.828303 0.003091 LBFGSLineSearch: 10 02:17:50 -141.828304 0.000152 LBFGSLineSearch: 11 02:17:50 -141.828304 0.000156 LBFGSLineSearch: 12 02:17:50 -141.828304 0.000004 Minimization converged after 12 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:56 -142.554559 0.036312 LBFGSLineSearch: 1 02:17:56 -142.554597 0.062137 LBFGSLineSearch: 2 02:17:56 -142.554977 0.046053 LBFGSLineSearch: 3 02:17:57 -142.555403 0.110073 LBFGSLineSearch: 4 02:17:57 -142.555472 0.042005 LBFGSLineSearch: 5 02:17:57 -142.555550 0.076059 LBFGSLineSearch: 6 02:17:57 -142.555746 0.007452 LBFGSLineSearch: 7 02:17:57 -142.555757 0.007767 LBFGSLineSearch: 8 02:17:57 -142.555760 0.002962 LBFGSLineSearch: 9 02:17:57 -142.555761 0.001298 LBFGSLineSearch: 10 02:17:57 -142.555762 0.001757 LBFGSLineSearch: 11 02:17:57 -142.555762 0.000106 LBFGSLineSearch: 12 02:17:58 -142.555762 0.000051 LBFGSLineSearch: 13 02:17:58 -142.555762 0.000002 Minimization converged after 13 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:03 -143.284503 0.036439 LBFGSLineSearch: 1 02:18:04 -143.284541 0.063294 LBFGSLineSearch: 2 02:18:04 -143.284939 0.048750 LBFGSLineSearch: 3 02:18:04 -143.285446 0.120360 LBFGSLineSearch: 4 02:18:04 -143.285542 0.050682 LBFGSLineSearch: 5 02:18:04 -143.285664 0.090504 LBFGSLineSearch: 6 02:18:04 -143.286035 0.010856 LBFGSLineSearch: 7 02:18:05 -143.286067 0.007858 LBFGSLineSearch: 8 02:18:05 -143.286081 0.007045 LBFGSLineSearch: 9 02:18:05 -143.286088 0.002222 LBFGSLineSearch: 10 02:18:05 -143.286090 0.002036 LBFGSLineSearch: 11 02:18:05 -143.286091 0.000275 LBFGSLineSearch: 12 02:18:05 -143.286091 0.000060 LBFGSLineSearch: 13 02:18:06 -143.286091 0.000044 LBFGSLineSearch: 14 02:18:06 -143.286091 0.000002 Minimization converged after 14 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:12 -144.018350 0.036613 LBFGSLineSearch: 1 02:18:12 -144.018388 0.064603 LBFGSLineSearch: 2 02:18:12 -144.018826 0.054250 LBFGSLineSearch: 3 02:18:12 -144.019581 0.153156 LBFGSLineSearch: 4 02:18:13 -144.019799 0.081756 LBFGSLineSearch: 5 02:18:13 -144.020233 0.179927 LBFGSLineSearch: 6 02:18:13 -144.162262 0.354061 LBFGSLineSearch: 7 02:18:13 -144.162324 0.363169 LBFGSLineSearch: 8 02:18:14 -144.181131 0.730200 LBFGSLineSearch: 9 02:18:14 -144.184060 0.066901 LBFGSLineSearch: 10 02:18:14 -144.186302 0.446445 LBFGSLineSearch: 11 02:18:14 -144.187937 0.032912 LBFGSLineSearch: 12 02:18:14 -144.188006 0.012180 LBFGSLineSearch: 13 02:18:14 -144.188076 0.026343 LBFGSLineSearch: 14 02:18:14 -144.188100 0.010760 LBFGSLineSearch: 15 02:18:14 -144.188108 0.004690 LBFGSLineSearch: 16 02:18:14 -144.188114 0.006623 LBFGSLineSearch: 17 02:18:15 -144.188118 0.000089 LBFGSLineSearch: 18 02:18:15 -144.188118 0.000004 Minimization converged after 18 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:21 -144.949811 0.038088 LBFGSLineSearch: 1 02:18:21 -144.949847 0.072902 LBFGSLineSearch: 2 02:18:21 -144.949984 0.018806 LBFGSLineSearch: 3 02:18:21 -144.950004 0.009722 LBFGSLineSearch: 4 02:18:22 -144.950018 0.007317 LBFGSLineSearch: 5 02:18:22 -144.950030 0.009908 LBFGSLineSearch: 6 02:18:22 -144.950038 0.001958 LBFGSLineSearch: 7 02:18:22 -144.950039 0.002527 LBFGSLineSearch: 8 02:18:22 -144.950040 0.000969 LBFGSLineSearch: 9 02:18:22 -144.950040 0.000422 LBFGSLineSearch: 10 02:18:23 -144.950040 0.001030 LBFGSLineSearch: 11 02:18:23 -144.950040 0.000267 LBFGSLineSearch: 12 02:18:23 -144.950040 0.000005 Minimization converged after 12 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:29 -145.712189 0.038110 LBFGSLineSearch: 1 02:18:29 -145.712224 0.073426 LBFGSLineSearch: 2 02:18:29 -145.712356 0.018988 LBFGSLineSearch: 3 02:18:29 -145.712376 0.010429 LBFGSLineSearch: 4 02:18:29 -145.712391 0.007527 LBFGSLineSearch: 5 02:18:30 -145.712403 0.010010 LBFGSLineSearch: 6 02:18:30 -145.712412 0.001989 LBFGSLineSearch: 7 02:18:30 -145.712413 0.002275 LBFGSLineSearch: 8 02:18:30 -145.712413 0.000856 LBFGSLineSearch: 9 02:18:30 -145.712413 0.000436 LBFGSLineSearch: 10 02:18:31 -145.712413 0.001049 LBFGSLineSearch: 11 02:18:31 -145.712414 0.000211 LBFGSLineSearch: 12 02:18:31 -145.712414 0.000002 Minimization converged after 12 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:37 -146.475011 0.038131 LBFGSLineSearch: 1 02:18:37 -146.475046 0.073903 LBFGSLineSearch: 2 02:18:37 -146.475173 0.019187 LBFGSLineSearch: 3 02:18:37 -146.475193 0.011284 LBFGSLineSearch: 4 02:18:37 -146.475208 0.007941 LBFGSLineSearch: 5 02:18:38 -146.475222 0.010014 LBFGSLineSearch: 6 02:18:38 -146.475231 0.002013 LBFGSLineSearch: 7 02:18:38 -146.475232 0.001999 LBFGSLineSearch: 8 02:18:38 -146.475232 0.000765 LBFGSLineSearch: 9 02:18:38 -146.475232 0.000467 LBFGSLineSearch: 10 02:18:39 -146.475232 0.001016 LBFGSLineSearch: 11 02:18:39 -146.475232 0.000026 LBFGSLineSearch: 12 02:18:39 -146.475232 0.000000 Minimization converged after 12 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:45 -147.238272 0.038152 LBFGSLineSearch: 1 02:18:45 -147.238307 0.074379 LBFGSLineSearch: 2 02:18:46 -147.238430 0.019325 LBFGSLineSearch: 3 02:18:46 -147.238449 0.012072 LBFGSLineSearch: 4 02:18:46 -147.238465 0.008524 LBFGSLineSearch: 5 02:18:46 -147.238480 0.009934 LBFGSLineSearch: 6 02:18:46 -147.238489 0.002030 LBFGSLineSearch: 7 02:18:46 -147.238490 0.001705 LBFGSLineSearch: 8 02:18:46 -147.238491 0.000693 LBFGSLineSearch: 9 02:18:47 -147.238491 0.000488 LBFGSLineSearch: 10 02:18:47 -147.238491 0.000939 LBFGSLineSearch: 11 02:18:47 -147.238491 0.000168 LBFGSLineSearch: 12 02:18:47 -147.238491 0.000003 Minimization converged after 12 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:53 -148.001967 0.038177 LBFGSLineSearch: 1 02:18:53 -148.002002 0.074856 LBFGSLineSearch: 2 02:18:53 -148.002120 0.019408 LBFGSLineSearch: 3 02:18:53 -148.002139 0.012803 LBFGSLineSearch: 4 02:18:53 -148.002157 0.009101 LBFGSLineSearch: 5 02:18:53 -148.002173 0.009781 LBFGSLineSearch: 6 02:18:53 -148.002182 0.002041 LBFGSLineSearch: 7 02:18:53 -148.002183 0.001410 LBFGSLineSearch: 8 02:18:53 -148.002183 0.000642 LBFGSLineSearch: 9 02:18:53 -148.002183 0.001013 LBFGSLineSearch: 10 02:18:53 -148.002183 0.000020 LBFGSLineSearch: 11 02:18:54 -148.002183 0.000038 LBFGSLineSearch: 12 02:18:54 -148.002183 0.000000 Minimization converged after 12 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:59 -148.766092 0.038195 LBFGSLineSearch: 1 02:18:59 -148.766126 0.075326 LBFGSLineSearch: 2 02:18:59 -148.766241 0.019448 LBFGSLineSearch: 3 02:19:00 -148.766260 0.013480 LBFGSLineSearch: 4 02:19:00 -148.766279 0.009674 LBFGSLineSearch: 5 02:19:00 -148.766295 0.009562 LBFGSLineSearch: 6 02:19:00 -148.766305 0.002049 LBFGSLineSearch: 7 02:19:00 -148.766306 0.001267 LBFGSLineSearch: 8 02:19:00 -148.766306 0.000610 LBFGSLineSearch: 9 02:19:00 -148.766306 0.000933 LBFGSLineSearch: 10 02:19:00 -148.766306 0.000015 LBFGSLineSearch: 11 02:19:00 -148.766306 0.000054 LBFGSLineSearch: 12 02:19:01 -148.766306 0.000000 Minimization converged after 12 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:07 -149.530643 0.038217 LBFGSLineSearch: 1 02:19:07 -149.530678 0.075798 LBFGSLineSearch: 2 02:19:07 -149.530789 0.019447 LBFGSLineSearch: 3 02:19:07 -149.530807 0.014116 LBFGSLineSearch: 4 02:19:07 -149.530827 0.010269 LBFGSLineSearch: 5 02:19:08 -149.530845 0.009287 LBFGSLineSearch: 6 02:19:08 -149.530854 0.002055 LBFGSLineSearch: 7 02:19:08 -149.530856 0.001125 LBFGSLineSearch: 8 02:19:08 -149.530856 0.000592 LBFGSLineSearch: 9 02:19:08 -149.530856 0.000952 LBFGSLineSearch: 10 02:19:08 -149.530856 0.000017 LBFGSLineSearch: 11 02:19:09 -149.530856 0.000027 LBFGSLineSearch: 12 02:19:09 -149.530856 0.000001 Minimization converged after 12 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:15 -150.295618 0.038238 LBFGSLineSearch: 1 02:19:15 -150.295652 0.076264 LBFGSLineSearch: 2 02:19:15 -150.295761 0.019419 LBFGSLineSearch: 3 02:19:15 -150.295784 0.010634 LBFGSLineSearch: 4 02:19:16 -150.295807 0.016110 LBFGSLineSearch: 5 02:19:16 -150.295827 0.009143 LBFGSLineSearch: 6 02:19:16 -150.295829 0.005488 LBFGSLineSearch: 7 02:19:16 -150.295830 0.000640 LBFGSLineSearch: 8 02:19:16 -150.295830 0.000745 LBFGSLineSearch: 9 02:19:16 -150.295830 0.000027 LBFGSLineSearch: 10 02:19:16 -150.295830 0.000018 LBFGSLineSearch: 11 02:19:17 -150.295830 0.000000 Minimization converged after 11 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:22 -151.061015 0.038259 LBFGSLineSearch: 1 02:19:23 -151.061049 0.076758 LBFGSLineSearch: 2 02:19:23 -151.061155 0.019319 LBFGSLineSearch: 3 02:19:23 -151.061178 0.011272 LBFGSLineSearch: 4 02:19:23 -151.061203 0.016750 LBFGSLineSearch: 5 02:19:23 -151.061223 0.008047 LBFGSLineSearch: 6 02:19:23 -151.061224 0.005746 LBFGSLineSearch: 7 02:19:23 -151.061226 0.000648 LBFGSLineSearch: 8 02:19:24 -151.061226 0.000576 LBFGSLineSearch: 9 02:19:24 -151.061226 0.000036 LBFGSLineSearch: 10 02:19:24 -151.061226 0.000018 LBFGSLineSearch: 11 02:19:24 -151.061226 0.000000 Minimization converged after 11 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:30 -151.826832 0.038280 LBFGSLineSearch: 1 02:19:30 -151.826866 0.077237 LBFGSLineSearch: 2 02:19:31 -151.826968 0.019215 LBFGSLineSearch: 3 02:19:31 -151.826992 0.012156 LBFGSLineSearch: 4 02:19:31 -151.827019 0.017351 LBFGSLineSearch: 5 02:19:31 -151.827039 0.006967 LBFGSLineSearch: 6 02:19:31 -151.827041 0.005900 LBFGSLineSearch: 7 02:19:32 -151.827042 0.000658 LBFGSLineSearch: 8 02:19:32 -151.827042 0.000425 LBFGSLineSearch: 9 02:19:32 -151.827042 0.000045 LBFGSLineSearch: 10 02:19:32 -151.827042 0.000018 LBFGSLineSearch: 11 02:19:33 -151.827042 0.000000 Minimization converged after 11 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:39 -152.593068 0.038301 LBFGSLineSearch: 1 02:19:39 -152.593101 0.077717 LBFGSLineSearch: 2 02:19:39 -152.593201 0.019085 LBFGSLineSearch: 3 02:19:39 -152.593226 0.013103 LBFGSLineSearch: 4 02:19:39 -152.593253 0.017914 LBFGSLineSearch: 5 02:19:39 -152.593274 0.005874 LBFGSLineSearch: 6 02:19:39 -152.593276 0.005911 LBFGSLineSearch: 7 02:19:40 -152.593277 0.000671 LBFGSLineSearch: 8 02:19:40 -152.593277 0.000286 LBFGSLineSearch: 9 02:19:40 -152.593277 0.000055 LBFGSLineSearch: 10 02:19:40 -152.593277 0.000018 LBFGSLineSearch: 11 02:19:40 -152.593277 0.000000 Minimization converged after 11 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:46 -153.359721 0.038322 LBFGSLineSearch: 1 02:19:46 -153.359754 0.078199 LBFGSLineSearch: 2 02:19:46 -153.359851 0.012783 LBFGSLineSearch: 3 02:19:47 -153.359876 0.020862 LBFGSLineSearch: 4 02:19:47 -153.359905 0.020458 LBFGSLineSearch: 5 02:19:47 -153.359926 0.006705 LBFGSLineSearch: 6 02:19:47 -153.359928 0.002422 LBFGSLineSearch: 7 02:19:47 -153.359929 0.001845 LBFGSLineSearch: 8 02:19:47 -153.359930 0.001866 LBFGSLineSearch: 9 02:19:47 -153.359930 0.000970 LBFGSLineSearch: 10 02:19:47 -153.359930 0.000463 LBFGSLineSearch: 11 02:19:47 -153.359930 0.000807 LBFGSLineSearch: 12 02:19:48 -153.359930 0.000297 LBFGSLineSearch: 13 02:19:48 -153.359930 0.000036 LBFGSLineSearch: 14 02:19:48 -153.359930 0.000029 LBFGSLineSearch: 15 02:19:48 -153.359930 0.000000 Minimization converged after 15 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:54 -154.126793 0.038343 LBFGSLineSearch: 1 02:19:54 -154.126826 0.078680 LBFGSLineSearch: 2 02:19:54 -154.126920 0.014171 LBFGSLineSearch: 3 02:19:54 -154.126945 0.023304 LBFGSLineSearch: 4 02:19:54 -154.126976 0.022553 LBFGSLineSearch: 5 02:19:54 -154.126993 0.009511 LBFGSLineSearch: 6 02:19:54 -154.127000 0.002511 LBFGSLineSearch: 7 02:19:54 -154.127001 0.003282 LBFGSLineSearch: 8 02:19:55 -154.127002 0.000756 LBFGSLineSearch: 9 02:19:55 -154.127002 0.001103 LBFGSLineSearch: 10 02:19:55 -154.127002 0.000054 LBFGSLineSearch: 11 02:19:55 -154.127002 0.000111 LBFGSLineSearch: 12 02:19:55 -154.127002 0.000000 Minimization converged after 12 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:01 -154.894282 0.038364 LBFGSLineSearch: 1 02:20:01 -154.894314 0.079170 LBFGSLineSearch: 2 02:20:01 -154.894408 0.016436 LBFGSLineSearch: 3 02:20:01 -154.894434 0.019438 LBFGSLineSearch: 4 02:20:01 -154.894466 0.019283 LBFGSLineSearch: 5 02:20:02 -154.894488 0.003223 LBFGSLineSearch: 6 02:20:02 -154.894489 0.002606 LBFGSLineSearch: 7 02:20:02 -154.894491 0.000711 LBFGSLineSearch: 8 02:20:02 -154.894491 0.000891 LBFGSLineSearch: 9 02:20:02 -154.894491 0.000075 LBFGSLineSearch: 10 02:20:03 -154.894491 0.000079 LBFGSLineSearch: 11 02:20:03 -154.894491 0.000000 Minimization converged after 11 steps. Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:09 -155.662189 0.038385 LBFGSLineSearch: 1 02:20:09 -155.662221 0.079652 LBFGSLineSearch: 2 02:20:09 -155.662309 0.032111 LBFGSLineSearch: 3 02:20:09 -155.662336 0.018169 LBFGSLineSearch: 4 02:20:10 -155.662370 0.021609 LBFGSLineSearch: 5 02:20:10 -155.662390 0.009187 LBFGSLineSearch: 6 02:20:10 -155.662396 0.003826 LBFGSLineSearch: 7 02:20:10 -155.662397 0.003482 LBFGSLineSearch: 8 02:20:10 -155.662398 0.000980 LBFGSLineSearch: 9 02:20:10 -155.662398 0.000920 LBFGSLineSearch: 10 02:20:10 -155.662398 0.000073 LBFGSLineSearch: 11 02:20:11 -155.662398 0.000137 LBFGSLineSearch: 12 02:20:11 -155.662398 0.000001 Minimization converged after 12 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:16 -156.430515 0.038407 LBFGSLineSearch: 1 02:20:17 -156.430547 0.080170 LBFGSLineSearch: 2 02:20:17 -156.430683 0.075398 LBFGSLineSearch: 3 02:20:17 -156.430865 0.059330 LBFGSLineSearch: 4 02:20:17 -156.430923 0.035661 LBFGSLineSearch: 5 02:20:17 -156.430936 0.007025 LBFGSLineSearch: 6 02:20:17 -156.430952 0.030875 LBFGSLineSearch: 7 02:20:18 -156.430989 0.006329 LBFGSLineSearch: 8 02:20:18 -156.430991 0.001945 LBFGSLineSearch: 9 02:20:18 -156.430993 0.002456 LBFGSLineSearch: 10 02:20:18 -156.430994 0.001150 LBFGSLineSearch: 11 02:20:18 -156.430995 0.002823 LBFGSLineSearch: 12 02:20:18 -156.430995 0.000853 LBFGSLineSearch: 13 02:20:18 -156.430995 0.000178 LBFGSLineSearch: 14 02:20:18 -156.430995 0.000157 LBFGSLineSearch: 15 02:20:18 -156.430995 0.000003 Minimization converged after 15 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:24 -157.200803 0.038493 LBFGSLineSearch: 1 02:20:24 -157.200841 0.081123 LBFGSLineSearch: 2 02:20:24 -157.201256 0.072059 LBFGSLineSearch: 3 02:20:24 -157.201992 0.084916 LBFGSLineSearch: 4 02:20:25 -157.202055 0.038524 LBFGSLineSearch: 5 02:20:25 -157.202241 0.094192 LBFGSLineSearch: 6 02:20:25 -157.202456 0.083082 LBFGSLineSearch: 7 02:20:25 -157.202521 0.016912 LBFGSLineSearch: 8 02:20:25 -157.202533 0.025404 LBFGSLineSearch: 9 02:20:25 -157.202540 0.002983 LBFGSLineSearch: 10 02:20:25 -157.202540 0.000585 LBFGSLineSearch: 11 02:20:26 -157.202540 0.002179 LBFGSLineSearch: 12 02:20:26 -157.202541 0.000074 LBFGSLineSearch: 13 02:20:26 -157.202541 0.000016 LBFGSLineSearch: 14 02:20:26 -157.202541 0.000000 Minimization converged after 14 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:32 -157.975846 0.038665 LBFGSLineSearch: 1 02:20:32 -157.975884 0.082609 LBFGSLineSearch: 2 02:20:32 -157.976305 0.073121 LBFGSLineSearch: 3 02:20:32 -157.977063 0.083470 LBFGSLineSearch: 4 02:20:33 -157.977134 0.039330 LBFGSLineSearch: 5 02:20:33 -157.977316 0.078476 LBFGSLineSearch: 6 02:20:33 -157.977542 0.075841 LBFGSLineSearch: 7 02:20:33 -157.977632 0.019119 LBFGSLineSearch: 8 02:20:33 -157.977643 0.006957 LBFGSLineSearch: 9 02:20:33 -157.977651 0.012248 LBFGSLineSearch: 10 02:20:34 -157.977654 0.007857 LBFGSLineSearch: 11 02:20:34 -157.977654 0.001733 LBFGSLineSearch: 12 02:20:34 -157.977654 0.000579 LBFGSLineSearch: 13 02:20:34 -157.977654 0.002814 LBFGSLineSearch: 14 02:20:34 -157.977654 0.000088 LBFGSLineSearch: 15 02:20:35 -157.977654 0.000060 LBFGSLineSearch: 16 02:20:35 -157.977654 0.000002 Minimization converged after 16 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:41 -158.754601 0.038848 LBFGSLineSearch: 1 02:20:41 -158.754639 0.084242 LBFGSLineSearch: 2 02:20:41 -158.755065 0.074244 LBFGSLineSearch: 3 02:20:41 -158.755847 0.081502 LBFGSLineSearch: 4 02:20:41 -158.755927 0.040095 LBFGSLineSearch: 5 02:20:41 -158.756095 0.067914 LBFGSLineSearch: 6 02:20:42 -158.756405 0.057910 LBFGSLineSearch: 7 02:20:42 -158.756464 0.012630 LBFGSLineSearch: 8 02:20:42 -158.756477 0.007299 LBFGSLineSearch: 9 02:20:42 -158.756483 0.009307 LBFGSLineSearch: 10 02:20:42 -158.756487 0.004815 LBFGSLineSearch: 11 02:20:42 -158.756487 0.000945 LBFGSLineSearch: 12 02:20:42 -158.756487 0.000573 LBFGSLineSearch: 13 02:20:42 -158.756487 0.001670 LBFGSLineSearch: 14 02:20:42 -158.756487 0.000099 LBFGSLineSearch: 15 02:20:42 -158.756487 0.000074 LBFGSLineSearch: 16 02:20:42 -158.756487 0.000002 Minimization converged after 16 steps. Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:48 -159.537235 0.039040 LBFGSLineSearch: 1 02:20:48 -159.537272 0.085932 LBFGSLineSearch: 2 02:20:49 -159.537705 0.075353 LBFGSLineSearch: 3 02:20:49 -159.538510 0.079539 LBFGSLineSearch: 4 02:20:49 -159.538601 0.040880 LBFGSLineSearch: 5 02:20:49 -159.538747 0.061218 LBFGSLineSearch: 6 02:20:49 -159.539168 0.020949 LBFGSLineSearch: 7 02:20:49 -159.539188 0.009204 LBFGSLineSearch: 8 02:20:49 -159.539200 0.007421 LBFGSLineSearch: 9 02:20:49 -159.539207 0.004505 LBFGSLineSearch: 10 02:20:49 -159.539208 0.001358 LBFGSLineSearch: 11 02:20:49 -159.539208 0.000670 LBFGSLineSearch: 12 02:20:49 -159.539208 0.001273 LBFGSLineSearch: 13 02:20:50 -159.539208 0.000075 LBFGSLineSearch: 14 02:20:50 -159.539208 0.000069 LBFGSLineSearch: 15 02:20:50 -159.539208 0.000026 LBFGSLineSearch: 16 02:20:50 -159.539208 0.000000 Minimization converged after 16 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:56 -160.323935 0.039236 LBFGSLineSearch: 1 02:20:56 -160.323973 0.087644 LBFGSLineSearch: 2 02:20:56 -160.324412 0.076516 LBFGSLineSearch: 3 02:20:56 -160.325241 0.077794 LBFGSLineSearch: 4 02:20:57 -160.325346 0.041681 LBFGSLineSearch: 5 02:20:57 -160.325469 0.047768 LBFGSLineSearch: 6 02:20:57 -160.325947 0.012184 LBFGSLineSearch: 7 02:20:57 -160.325985 0.009696 LBFGSLineSearch: 8 02:20:57 -160.326001 0.004697 LBFGSLineSearch: 9 02:20:57 -160.326007 0.001814 LBFGSLineSearch: 10 02:20:57 -160.326008 0.000785 LBFGSLineSearch: 11 02:20:57 -160.326008 0.000403 LBFGSLineSearch: 12 02:20:58 -160.326008 0.000109 LBFGSLineSearch: 13 02:20:58 -160.326008 0.000017 LBFGSLineSearch: 14 02:20:58 -160.326008 0.000014 LBFGSLineSearch: 15 02:20:58 -160.326008 0.000001 Minimization converged after 15 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:04 -161.114918 0.039446 LBFGSLineSearch: 1 02:21:04 -161.114956 0.089490 LBFGSLineSearch: 2 02:21:04 -161.115402 0.077717 LBFGSLineSearch: 3 02:21:05 -161.116256 0.075769 LBFGSLineSearch: 4 02:21:05 -161.116377 0.042389 LBFGSLineSearch: 5 02:21:05 -161.116489 0.036665 LBFGSLineSearch: 6 02:21:05 -161.116972 0.014513 LBFGSLineSearch: 7 02:21:05 -161.117078 0.010246 LBFGSLineSearch: 8 02:21:05 -161.117100 0.004021 LBFGSLineSearch: 9 02:21:05 -161.117106 0.001343 LBFGSLineSearch: 10 02:21:05 -161.117106 0.000881 LBFGSLineSearch: 11 02:21:06 -161.117107 0.000824 LBFGSLineSearch: 12 02:21:06 -161.117107 0.000382 LBFGSLineSearch: 13 02:21:06 -161.117107 0.000074 LBFGSLineSearch: 14 02:21:06 -161.117107 0.000032 LBFGSLineSearch: 15 02:21:06 -161.117107 0.000001 Minimization converged after 15 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:12 -161.910437 0.039666 LBFGSLineSearch: 1 02:21:12 -161.910475 0.091441 LBFGSLineSearch: 2 02:21:12 -161.910927 0.078974 LBFGSLineSearch: 3 02:21:12 -161.911809 0.073679 LBFGSLineSearch: 4 02:21:12 -161.911949 0.043003 LBFGSLineSearch: 5 02:21:12 -161.912056 0.029802 LBFGSLineSearch: 6 02:21:12 -161.912708 0.015749 LBFGSLineSearch: 7 02:21:12 -161.912745 0.025753 LBFGSLineSearch: 8 02:21:12 -161.912758 0.009356 LBFGSLineSearch: 9 02:21:13 -161.912761 0.001609 LBFGSLineSearch: 10 02:21:13 -161.912762 0.004061 LBFGSLineSearch: 11 02:21:13 -161.912762 0.001640 LBFGSLineSearch: 12 02:21:13 -161.912762 0.000265 LBFGSLineSearch: 13 02:21:13 -161.912762 0.000656 LBFGSLineSearch: 14 02:21:13 -161.912762 0.000204 LBFGSLineSearch: 15 02:21:13 -161.912762 0.000000 Minimization converged after 15 steps. Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:19 -162.710795 0.039902 LBFGSLineSearch: 1 02:21:19 -162.710833 0.093541 LBFGSLineSearch: 2 02:21:19 -162.711294 0.080258 LBFGSLineSearch: 3 02:21:19 -162.712202 0.071441 LBFGSLineSearch: 4 02:21:19 -162.712366 0.043490 LBFGSLineSearch: 5 02:21:19 -162.712472 0.027011 LBFGSLineSearch: 6 02:21:19 -162.713219 0.016371 LBFGSLineSearch: 7 02:21:19 -162.713262 0.024286 LBFGSLineSearch: 8 02:21:19 -162.713280 0.010692 LBFGSLineSearch: 9 02:21:19 -162.713286 0.002371 LBFGSLineSearch: 10 02:21:20 -162.713288 0.004325 LBFGSLineSearch: 11 02:21:20 -162.713289 0.001807 LBFGSLineSearch: 12 02:21:20 -162.713290 0.000610 LBFGSLineSearch: 13 02:21:20 -162.713290 0.001149 LBFGSLineSearch: 14 02:21:20 -162.713290 0.000000 Minimization converged after 14 steps. Pressure: -39.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:26 -163.516379 0.040155 LBFGSLineSearch: 1 02:21:26 -163.516416 0.095816 LBFGSLineSearch: 2 02:21:26 -163.516885 0.081590 LBFGSLineSearch: 3 02:21:26 -163.517823 0.072478 LBFGSLineSearch: 4 02:21:26 -163.518015 0.043816 LBFGSLineSearch: 5 02:21:26 -163.518125 0.031706 LBFGSLineSearch: 6 02:21:26 -163.518994 0.017135 LBFGSLineSearch: 7 02:21:26 -163.519047 0.023323 LBFGSLineSearch: 8 02:21:26 -163.519086 0.003786 LBFGSLineSearch: 9 02:21:27 -163.519093 0.002839 LBFGSLineSearch: 10 02:21:27 -163.519095 0.001360 LBFGSLineSearch: 11 02:21:27 -163.519096 0.001304 LBFGSLineSearch: 12 02:21:27 -163.519096 0.000833 LBFGSLineSearch: 13 02:21:27 -163.519097 0.000174 LBFGSLineSearch: 14 02:21:27 -163.519097 0.000023 LBFGSLineSearch: 15 02:21:27 -163.519097 0.000000 Minimization converged after 15 steps. Pressure: -40.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:33 -164.327716 0.040431 LBFGSLineSearch: 1 02:21:33 -164.327753 0.098360 LBFGSLineSearch: 2 02:21:33 -164.328231 0.082972 LBFGSLineSearch: 3 02:21:34 -164.329199 0.080566 LBFGSLineSearch: 4 02:21:34 -164.329427 0.044368 LBFGSLineSearch: 5 02:21:34 -164.329544 0.036211 LBFGSLineSearch: 6 02:21:34 -164.330594 0.019285 LBFGSLineSearch: 7 02:21:34 -164.330669 0.024714 LBFGSLineSearch: 8 02:21:34 -164.330739 0.005453 LBFGSLineSearch: 9 02:21:34 -164.330760 0.005565 LBFGSLineSearch: 10 02:21:34 -164.330762 0.002773 LBFGSLineSearch: 11 02:21:35 -164.330764 0.005688 LBFGSLineSearch: 12 02:21:35 -164.330768 0.000039 LBFGSLineSearch: 13 02:21:35 -164.330768 0.000003 Minimization converged after 13 steps. Pressure: -40.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:40 -165.145654 0.040744 LBFGSLineSearch: 1 02:21:40 -165.145692 0.101393 LBFGSLineSearch: 2 02:21:40 -165.146180 0.084351 LBFGSLineSearch: 3 02:21:40 -165.147179 0.089512 LBFGSLineSearch: 4 02:21:41 -165.147454 0.045540 LBFGSLineSearch: 5 02:21:41 -165.147585 0.041802 LBFGSLineSearch: 6 02:21:41 -165.148965 0.025424 LBFGSLineSearch: 7 02:21:41 -165.149098 0.034772 LBFGSLineSearch: 8 02:21:41 -165.149266 0.008557 LBFGSLineSearch: 9 02:21:41 -165.149344 0.009272 LBFGSLineSearch: 10 02:21:41 -165.149352 0.006659 LBFGSLineSearch: 11 02:21:41 -165.149364 0.012197 LBFGSLineSearch: 12 02:21:41 -165.149390 0.000601 LBFGSLineSearch: 13 02:21:41 -165.149390 0.000074 LBFGSLineSearch: 14 02:21:41 -165.149390 0.000001 Minimization converged after 14 steps. Pressure: -41.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:47 -165.972232 0.041142 LBFGSLineSearch: 1 02:21:47 -165.972270 0.105511 LBFGSLineSearch: 2 02:21:47 -165.972771 0.085799 LBFGSLineSearch: 3 02:21:47 -165.973802 0.099704 LBFGSLineSearch: 4 02:21:48 -165.974146 0.045763 LBFGSLineSearch: 5 02:21:48 -165.974313 0.052594 LBFGSLineSearch: 6 02:21:48 -166.000770 0.470475 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 6 steps. Final forces: [[ 6.20897757e-19 -4.65534597e-01 1.90835465e-02] [ 4.03164788e-01 2.32767299e-01 1.90835465e-02] [-4.03164788e-01 2.32767299e-01 1.90835465e-02] [-6.20897757e-19 4.65534597e-01 1.90835465e-02] [-4.03164788e-01 -2.32767299e-01 1.90835465e-02] [ 4.03164788e-01 -2.32767299e-01 1.90835465e-02] [ 2.69442204e-37 -6.76242881e-20 8.75127388e-02] [ 2.69442204e-37 -6.76242881e-20 8.75127388e-02] [ 6.51046479e-18 1.11799132e-01 1.01075939e-02] [-9.68208886e-02 -5.58995661e-02 1.01075939e-02] [ 9.68208886e-02 -5.58995661e-02 1.01075939e-02] [-6.51046479e-18 -1.11799132e-01 1.01075939e-02] [ 9.68208886e-02 5.58995661e-02 1.01075939e-02] [-9.68208886e-02 5.58995661e-02 1.01075939e-02] [ 6.05446520e-18 7.77424625e-02 -5.83620533e-02] [-6.73269474e-02 -3.88712312e-02 -5.83620533e-02] [ 6.73269474e-02 -3.88712312e-02 -5.83620533e-02] [ 1.06195845e-17 -7.77424625e-02 -5.83620533e-02] [ 6.73269474e-02 3.88712312e-02 -5.83620533e-02] [-6.73269474e-02 3.88712312e-02 -5.83620533e-02]] Final stress: [ 2.47077390e-01 2.47077390e-01 2.53430509e-01 1.19248880e-19 5.57784442e-31 -1.76293130e-17] Pressure: -41.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:53 -166.839717 0.465926 LBFGSLineSearch: 1 02:21:54 -166.906750 0.562423 LBFGSLineSearch: 2 02:21:54 -166.911798 0.400796 LBFGSLineSearch: 3 02:21:54 -166.917191 0.565702 LBFGSLineSearch: 4 02:21:54 -166.918778 0.223587 LBFGSLineSearch: 5 02:21:55 -166.928849 0.514479 LBFGSLineSearch: 6 02:21:55 -166.933868 0.140326 LBFGSLineSearch: 7 02:21:55 -166.934855 0.109295 LBFGSLineSearch: 8 02:21:55 -166.935385 0.114658 LBFGSLineSearch: 9 02:21:55 -166.936680 0.047410 LBFGSLineSearch: 10 02:21:55 -166.938248 0.075009 LBFGSLineSearch: 11 02:21:55 -166.939430 0.065789 LBFGSLineSearch: 12 02:21:55 -166.940885 0.066964 LBFGSLineSearch: 13 02:21:55 -166.940984 0.035982 LBFGSLineSearch: 14 02:21:55 -166.941442 0.086108 LBFGSLineSearch: 15 02:21:55 -166.941527 0.025551 LBFGSLineSearch: 16 02:21:55 -166.941587 0.100526 LBFGSLineSearch: 17 02:21:56 -166.959867 0.523166 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 17 steps. Final forces: [[ 2.82693728e-18 -1.38536064e-01 -3.52429253e-01] [ 1.19975751e-01 6.92680321e-02 -3.52429253e-01] [-1.19975751e-01 6.92680321e-02 -3.52429253e-01] [ 3.75749983e-18 1.38536064e-01 -3.52429253e-01] [-1.19975751e-01 -6.92680321e-02 -3.52429253e-01] [ 1.19975751e-01 -6.92680321e-02 -3.52429253e-01] [-1.00013160e-37 2.80908579e-20 -3.63974806e-02] [-1.00013160e-37 2.80908579e-20 -3.63974806e-02] [-1.66213096e-19 -3.59606819e-03 2.55606487e-01] [ 3.11428641e-03 1.79803410e-03 2.55606487e-01] [-3.11428641e-03 1.79803410e-03 2.55606487e-01] [ 3.71976755e-19 3.59606819e-03 2.55606487e-01] [-3.11428641e-03 -1.79803410e-03 2.55606487e-01] [ 3.11428641e-03 -1.79803410e-03 2.55606487e-01] [ 1.80567374e-18 -4.00999578e-02 1.08955259e-01] [ 3.47275822e-02 2.00499789e-02 1.08955259e-01] [-3.47275822e-02 2.00499789e-02 1.08955259e-01] [-1.80567374e-18 4.00999578e-02 1.08955259e-01] [-3.47275822e-02 -2.00499789e-02 1.08955259e-01] [ 3.47275822e-02 -2.00499789e-02 1.08955259e-01]] Final stress: [2.55222990e-01 2.55222990e-01 2.96760454e-01 1.15200779e-19 7.48223162e-31 5.14414794e-18] Pressure: -42.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:01 -167.825138 0.479902 LBFGSLineSearch: 1 02:22:01 -167.825729 0.155562 LBFGSLineSearch: 2 02:22:01 -167.828518 0.166482 LBFGSLineSearch: 3 02:22:02 -168.046186 1.349777 LBFGSLineSearch: 4 02:22:02 -168.050322 1.247795 LBFGSLineSearch: 5 02:22:02 -168.138222 0.610964 LBFGSLineSearch: 6 02:22:02 -168.177324 0.797895 LBFGSLineSearch: 7 02:22:02 -168.227845 0.444186 LBFGSLineSearch: 8 02:22:02 -168.251144 0.536330 LBFGSLineSearch: 9 02:22:02 -168.281050 0.485324 LBFGSLineSearch: 10 02:22:02 -168.318908 0.362011 LBFGSLineSearch: 11 02:22:02 -168.326243 0.306636 LBFGSLineSearch: 12 02:22:02 -168.333128 0.554949 LBFGSLineSearch: 13 02:22:03 -168.348208 1.172694 LBFGSLineSearch: 14 02:22:03 -168.356306 0.343819 LBFGSLineSearch: 15 02:22:03 -168.357695 0.031460 LBFGSLineSearch: 16 02:22:03 -168.358071 0.141341 LBFGSLineSearch: 17 02:22:03 -168.363243 0.363360 LBFGSLineSearch: 18 02:22:03 -168.364703 0.185503 LBFGSLineSearch: 19 02:22:03 -168.364976 0.191612 LBFGSLineSearch: 20 02:22:03 -168.365061 0.114288 LBFGSLineSearch: 21 02:22:03 -168.365157 0.055557 LBFGSLineSearch: 22 02:22:03 -168.365207 0.017161 LBFGSLineSearch: 23 02:22:03 -168.365209 0.003406 LBFGSLineSearch: 24 02:22:04 -168.365210 0.003698 LBFGSLineSearch: 25 02:22:04 -168.365210 0.000589 LBFGSLineSearch: 26 02:22:04 -168.365210 0.000022 LBFGSLineSearch: 27 02:22:04 -168.365210 0.000000 Minimization converged after 27 steps. Pressure: -42.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:10 -169.283506 0.045915 LBFGSLineSearch: 1 02:22:10 -169.283544 0.133307 LBFGSLineSearch: 2 02:22:10 -169.283875 0.050482 LBFGSLineSearch: 3 02:22:10 -169.284610 0.100464 LBFGSLineSearch: 4 02:22:10 -169.285215 0.063081 LBFGSLineSearch: 5 02:22:10 -169.285441 0.062912 LBFGSLineSearch: 6 02:22:10 -169.285663 0.051872 LBFGSLineSearch: 7 02:22:10 -169.286199 0.124662 LBFGSLineSearch: 8 02:22:11 -169.287583 0.164022 LBFGSLineSearch: 9 02:22:11 -169.288666 0.121298 LBFGSLineSearch: 10 02:22:11 -169.291292 0.291797 LBFGSLineSearch: 11 02:22:11 -169.333492 1.528204 LBFGSLineSearch: 12 02:22:11 -169.336659 2.314619 LBFGSLineSearch: 13 02:22:11 -169.370552 2.886627 LBFGSLineSearch: 14 02:22:11 -169.374716 2.953272 LBFGSLineSearch: 15 02:22:12 -169.487714 0.443272 LBFGSLineSearch: 16 02:22:12 -169.576584 1.119126 LBFGSLineSearch: 17 02:22:12 -169.650690 2.210437 LBFGSLineSearch: 18 02:22:12 -169.731945 1.588168 LBFGSLineSearch: 19 02:22:12 -169.853112 0.897823 LBFGSLineSearch: 20 02:22:12 -169.897763 0.593983 LBFGSLineSearch: 21 02:22:12 -170.145956 3.558714 LBFGSLineSearch: 22 02:22:12 -170.275615 5.578865 LBFGSLineSearch: 23 02:22:12 -171.269361 2.176910 LBFGSLineSearch: 24 02:22:12 -171.595781 2.994931 LBFGSLineSearch: 25 02:22:12 -172.385040 3.560727 LBFGSLineSearch: 26 02:22:12 -173.868498 2.955762 LBFGSLineSearch: 27 02:22:13 -173.877772 2.903696 LBFGSLineSearch: 28 02:22:13 -175.114164 5.872294 LBFGSLineSearch: 29 02:22:13 -175.355601 6.669674 LBFGSLineSearch: 30 02:22:13 -176.207604 2.358160 LBFGSLineSearch: 31 02:22:13 -179.730472 10.405696 LBFGSLineSearch: 32 02:22:13 -179.755904 8.927353 LBFGSLineSearch: 33 02:22:13 -182.037260 5.465348 LBFGSLineSearch: 34 02:22:13 -182.338077 5.555617 LBFGSLineSearch: 35 02:22:13 -182.583602 3.109450 LBFGSLineSearch: 36 02:22:14 -184.053477 4.730929 LBFGSLineSearch: 37 02:22:14 -187.341800 5.739002 LBFGSLineSearch: 38 02:22:14 -188.835991 2.181240 LBFGSLineSearch: 39 02:22:14 -189.150779 2.349006 LBFGSLineSearch: 40 02:22:14 -189.933913 3.194359 LBFGSLineSearch: 41 02:22:14 -192.708779 6.360196 LBFGSLineSearch: 42 02:22:15 -193.177000 5.147129 LBFGSLineSearch: 43 02:22:15 -193.918599 3.788062 LBFGSLineSearch: 44 02:22:15 -194.679429 6.154488 LBFGSLineSearch: 45 02:22:15 -195.101720 1.963208 LBFGSLineSearch: 46 02:22:15 -195.251562 2.180933 LBFGSLineSearch: 47 02:22:15 -195.329237 1.560570 LBFGSLineSearch: 48 02:22:16 -195.375391 0.919468 LBFGSLineSearch: 49 02:22:16 -195.409123 0.617231 LBFGSLineSearch: 50 02:22:16 -195.418858 0.678516 LBFGSLineSearch: 51 02:22:16 -195.433325 0.639263 LBFGSLineSearch: 52 02:22:16 -195.472762 1.177285 LBFGSLineSearch: 53 02:22:16 -195.525232 0.791341 LBFGSLineSearch: 54 02:22:16 -195.531556 0.795973 LBFGSLineSearch: 55 02:22:16 -195.543062 1.254138 LBFGSLineSearch: 56 02:22:16 -195.641364 0.839828 LBFGSLineSearch: 57 02:22:16 -195.644628 0.841350 LBFGSLineSearch: 58 02:22:17 -195.663501 0.258250 LBFGSLineSearch: 59 02:22:17 -195.664548 0.251523 LBFGSLineSearch: 60 02:22:17 -195.665511 0.232819 LBFGSLineSearch: 61 02:22:17 -195.674140 0.098820 LBFGSLineSearch: 62 02:22:17 -195.674345 0.005450 LBFGSLineSearch: 63 02:22:17 -195.674347 0.000768 LBFGSLineSearch: 64 02:22:17 -195.674347 0.000040 LBFGSLineSearch: 65 02:22:17 -195.674347 0.000001 Minimization converged after 65 steps. Pressure: -43.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:23 -196.925668 0.062566 LBFGSLineSearch: 1 02:22:23 -196.925753 0.091939 LBFGSLineSearch: 2 02:22:23 -196.925854 0.041862 LBFGSLineSearch: 3 02:22:23 -196.925956 0.087229 LBFGSLineSearch: 4 02:22:23 -196.926096 0.025068 LBFGSLineSearch: 5 02:22:24 -196.926118 0.014689 LBFGSLineSearch: 6 02:22:24 -196.926123 0.007100 LBFGSLineSearch: 7 02:22:24 -196.926127 0.007734 LBFGSLineSearch: 8 02:22:24 -196.926145 0.006799 LBFGSLineSearch: 9 02:22:24 -196.926158 0.007273 LBFGSLineSearch: 10 02:22:24 -196.926164 0.000036 LBFGSLineSearch: 11 02:22:24 -196.926164 0.000002 Minimization converged after 11 steps. Pressure: -43.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:30 -198.178479 0.062616 LBFGSLineSearch: 1 02:22:30 -198.178564 0.092349 LBFGSLineSearch: 2 02:22:30 -198.178665 0.042223 LBFGSLineSearch: 3 02:22:30 -198.178767 0.088174 LBFGSLineSearch: 4 02:22:30 -198.178910 0.025082 LBFGSLineSearch: 5 02:22:31 -198.178933 0.014476 LBFGSLineSearch: 6 02:22:31 -198.178937 0.007211 LBFGSLineSearch: 7 02:22:31 -198.178942 0.007570 LBFGSLineSearch: 8 02:22:31 -198.178960 0.007161 LBFGSLineSearch: 9 02:22:31 -198.178973 0.006667 LBFGSLineSearch: 10 02:22:31 -198.178978 0.002669 LBFGSLineSearch: 11 02:22:31 -198.178979 0.000004 Minimization converged after 11 steps. Pressure: -44.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:36 -199.432293 0.062665 LBFGSLineSearch: 1 02:22:37 -199.432378 0.092691 LBFGSLineSearch: 2 02:22:37 -199.432479 0.042547 LBFGSLineSearch: 3 02:22:37 -199.432580 0.089075 LBFGSLineSearch: 4 02:22:37 -199.432726 0.025145 LBFGSLineSearch: 5 02:22:37 -199.432750 0.014249 LBFGSLineSearch: 6 02:22:37 -199.432754 0.007292 LBFGSLineSearch: 7 02:22:37 -199.432759 0.007418 LBFGSLineSearch: 8 02:22:38 -199.432777 0.007595 LBFGSLineSearch: 9 02:22:38 -199.432792 0.005461 LBFGSLineSearch: 10 02:22:38 -199.432795 0.001519 LBFGSLineSearch: 11 02:22:38 -199.432796 0.000002 Minimization converged after 11 steps. Pressure: -44.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:43 -200.687116 0.062716 LBFGSLineSearch: 1 02:22:44 -200.687200 0.093126 LBFGSLineSearch: 2 02:22:44 -200.687301 0.042912 LBFGSLineSearch: 3 02:22:44 -200.687403 0.090002 LBFGSLineSearch: 4 02:22:44 -200.687552 0.025122 LBFGSLineSearch: 5 02:22:44 -200.687576 0.013981 LBFGSLineSearch: 6 02:22:44 -200.687580 0.007382 LBFGSLineSearch: 7 02:22:44 -200.687586 0.007221 LBFGSLineSearch: 8 02:22:44 -200.687604 0.008128 LBFGSLineSearch: 9 02:22:44 -200.687620 0.003197 LBFGSLineSearch: 10 02:22:44 -200.687622 0.000308 LBFGSLineSearch: 11 02:22:44 -200.687622 0.000002 Minimization converged after 11 steps. Pressure: -45.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:50 -201.942954 0.062767 LBFGSLineSearch: 1 02:22:50 -201.943039 0.093552 LBFGSLineSearch: 2 02:22:50 -201.943139 0.043272 LBFGSLineSearch: 3 02:22:50 -201.943241 0.090920 LBFGSLineSearch: 4 02:22:51 -201.943394 0.025086 LBFGSLineSearch: 5 02:22:51 -201.943418 0.013684 LBFGSLineSearch: 6 02:22:51 -201.943422 0.007450 LBFGSLineSearch: 7 02:22:51 -201.943428 0.007010 LBFGSLineSearch: 8 02:22:51 -201.943445 0.008648 LBFGSLineSearch: 9 02:22:51 -201.943463 0.001826 LBFGSLineSearch: 10 02:22:51 -201.943463 0.000005 Minimization converged after 10 steps. Pressure: -45.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:57 -203.199815 0.062822 LBFGSLineSearch: 1 02:22:57 -203.199899 0.093991 LBFGSLineSearch: 2 02:22:57 -203.200000 0.043652 LBFGSLineSearch: 3 02:22:57 -203.200101 0.091863 LBFGSLineSearch: 4 02:22:57 -203.200258 0.024975 LBFGSLineSearch: 5 02:22:57 -203.200282 0.013374 LBFGSLineSearch: 6 02:22:57 -203.200285 0.007506 LBFGSLineSearch: 7 02:22:57 -203.200292 0.006801 LBFGSLineSearch: 8 02:22:57 -203.200309 0.008772 LBFGSLineSearch: 9 02:22:57 -203.200327 0.001722 LBFGSLineSearch: 10 02:22:57 -203.200327 0.000041 LBFGSLineSearch: 11 02:22:57 -203.200327 0.000000 Minimization converged after 11 steps. Pressure: -46.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:03 -204.457705 0.062869 LBFGSLineSearch: 1 02:23:03 -204.457789 0.094385 LBFGSLineSearch: 2 02:23:03 -204.457889 0.043978 LBFGSLineSearch: 3 02:23:03 -204.457990 0.092716 LBFGSLineSearch: 4 02:23:03 -204.458150 0.024991 LBFGSLineSearch: 5 02:23:03 -204.458176 0.013011 LBFGSLineSearch: 6 02:23:03 -204.458178 0.007516 LBFGSLineSearch: 7 02:23:03 -204.458186 0.006727 LBFGSLineSearch: 8 02:23:03 -204.458201 0.010013 LBFGSLineSearch: 9 02:23:04 -204.458218 0.005520 LBFGSLineSearch: 10 02:23:04 -204.458220 0.001135 LBFGSLineSearch: 11 02:23:04 -204.458220 0.000002 Minimization converged after 11 steps. Pressure: -46.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:09 -205.716631 0.062920 LBFGSLineSearch: 1 02:23:09 -205.716714 0.094787 LBFGSLineSearch: 2 02:23:10 -205.716815 0.044335 LBFGSLineSearch: 3 02:23:10 -205.716916 0.093618 LBFGSLineSearch: 4 02:23:10 -205.717080 0.024908 LBFGSLineSearch: 5 02:23:10 -205.717105 0.012633 LBFGSLineSearch: 6 02:23:10 -205.717108 0.007505 LBFGSLineSearch: 7 02:23:10 -205.717116 0.006703 LBFGSLineSearch: 8 02:23:11 -205.717130 0.010361 LBFGSLineSearch: 9 02:23:11 -205.717148 0.005121 LBFGSLineSearch: 10 02:23:11 -205.717150 0.001340 LBFGSLineSearch: 11 02:23:11 -205.717150 0.000002 Minimization converged after 11 steps. Pressure: -47.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:16 -206.976600 0.062971 LBFGSLineSearch: 1 02:23:16 -206.976684 0.095213 LBFGSLineSearch: 2 02:23:17 -206.976784 0.044692 LBFGSLineSearch: 3 02:23:17 -206.976885 0.094504 LBFGSLineSearch: 4 02:23:17 -206.977053 0.024814 LBFGSLineSearch: 5 02:23:17 -206.977079 0.012215 LBFGSLineSearch: 6 02:23:17 -206.977081 0.007460 LBFGSLineSearch: 7 02:23:17 -206.977090 0.006748 LBFGSLineSearch: 8 02:23:17 -206.977103 0.010315 LBFGSLineSearch: 9 02:23:17 -206.977122 0.005592 LBFGSLineSearch: 10 02:23:17 -206.977123 0.001136 LBFGSLineSearch: 11 02:23:17 -206.977123 0.000001 Minimization converged after 11 steps. Pressure: -47.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:23 -208.237621 0.063024 LBFGSLineSearch: 1 02:23:23 -208.237705 0.095668 LBFGSLineSearch: 2 02:23:23 -208.237805 0.045066 LBFGSLineSearch: 3 02:23:23 -208.237906 0.095403 LBFGSLineSearch: 4 02:23:23 -208.238077 0.024679 LBFGSLineSearch: 5 02:23:23 -208.238104 0.011750 LBFGSLineSearch: 6 02:23:23 -208.238106 0.007365 LBFGSLineSearch: 7 02:23:23 -208.238116 0.006872 LBFGSLineSearch: 8 02:23:23 -208.238128 0.010192 LBFGSLineSearch: 9 02:23:23 -208.238148 0.004504 LBFGSLineSearch: 10 02:23:23 -208.238148 0.000544 LBFGSLineSearch: 11 02:23:24 -208.238148 0.000000 Minimization converged after 11 steps. Pressure: -48.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:29 -209.499701 0.063078 LBFGSLineSearch: 1 02:23:29 -209.499785 0.096124 LBFGSLineSearch: 2 02:23:29 -209.499885 0.045439 LBFGSLineSearch: 3 02:23:29 -209.499985 0.096295 LBFGSLineSearch: 4 02:23:29 -209.500161 0.024531 LBFGSLineSearch: 5 02:23:30 -209.500188 0.011249 LBFGSLineSearch: 6 02:23:30 -209.500190 0.007197 LBFGSLineSearch: 7 02:23:30 -209.500201 0.007099 LBFGSLineSearch: 8 02:23:30 -209.500213 0.010150 LBFGSLineSearch: 9 02:23:30 -209.500232 0.002779 LBFGSLineSearch: 10 02:23:30 -209.500232 0.000178 LBFGSLineSearch: 11 02:23:30 -209.500232 0.000000 Minimization converged after 11 steps. Pressure: -48.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:36 -210.762849 0.063131 LBFGSLineSearch: 1 02:23:36 -210.762932 0.096578 LBFGSLineSearch: 2 02:23:36 -210.763032 0.045811 LBFGSLineSearch: 3 02:23:36 -210.763132 0.097176 LBFGSLineSearch: 4 02:23:37 -210.763312 0.024378 LBFGSLineSearch: 5 02:23:37 -210.763339 0.010709 LBFGSLineSearch: 6 02:23:37 -210.763341 0.006911 LBFGSLineSearch: 7 02:23:37 -210.763353 0.007554 LBFGSLineSearch: 8 02:23:37 -210.763365 0.010220 LBFGSLineSearch: 9 02:23:38 -210.763384 0.002136 LBFGSLineSearch: 10 02:23:38 -210.763384 0.000106 LBFGSLineSearch: 11 02:23:38 -210.763384 0.000000 Minimization converged after 11 steps. Pressure: -49.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:43 -212.027071 0.063184 LBFGSLineSearch: 1 02:23:43 -212.027154 0.097037 LBFGSLineSearch: 2 02:23:43 -212.027255 0.046187 LBFGSLineSearch: 3 02:23:43 -212.027355 0.098058 LBFGSLineSearch: 4 02:23:43 -212.027538 0.024207 LBFGSLineSearch: 5 02:23:43 -212.027566 0.010125 LBFGSLineSearch: 6 02:23:43 -212.027568 0.006045 LBFGSLineSearch: 7 02:23:43 -212.027580 0.010022 LBFGSLineSearch: 8 02:23:44 -212.027595 0.017109 LBFGSLineSearch: 9 02:23:44 -212.027611 0.001620 LBFGSLineSearch: 10 02:23:44 -212.027611 0.000019 LBFGSLineSearch: 11 02:23:44 -212.027611 0.000000 Minimization converged after 11 steps. Pressure: -49.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:49 -213.292378 0.063238 LBFGSLineSearch: 1 02:23:49 -213.292461 0.097505 LBFGSLineSearch: 2 02:23:49 -213.292562 0.046569 LBFGSLineSearch: 3 02:23:49 -213.292661 0.098937 LBFGSLineSearch: 4 02:23:49 -213.292849 0.024023 LBFGSLineSearch: 5 02:23:50 -213.292877 0.009497 LBFGSLineSearch: 6 02:23:50 -213.292879 0.007110 LBFGSLineSearch: 7 02:23:50 -213.292890 0.011818 LBFGSLineSearch: 8 02:23:50 -213.292906 0.014542 LBFGSLineSearch: 9 02:23:50 -213.292921 0.005550 LBFGSLineSearch: 10 02:23:50 -213.292922 0.000206 LBFGSLineSearch: 11 02:23:50 -213.292922 0.000000 Minimization converged after 11 steps. Pressure: -50.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:55 -214.558778 0.063293 LBFGSLineSearch: 1 02:23:55 -214.558861 0.097979 LBFGSLineSearch: 2 02:23:56 -214.558962 0.046955 LBFGSLineSearch: 3 02:23:56 -214.559061 0.099816 LBFGSLineSearch: 4 02:23:56 -214.559253 0.023825 LBFGSLineSearch: 5 02:23:56 -214.559281 0.008821 LBFGSLineSearch: 6 02:23:56 -214.559288 0.009288 LBFGSLineSearch: 7 02:23:56 -214.559295 0.011561 LBFGSLineSearch: 8 02:23:56 -214.559309 0.011682 LBFGSLineSearch: 9 02:23:56 -214.559326 0.003619 LBFGSLineSearch: 10 02:23:56 -214.559326 0.000241 LBFGSLineSearch: 11 02:23:56 -214.559326 0.000001 Minimization converged after 11 steps. Pressure: -50.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:01 -215.826280 0.063348 LBFGSLineSearch: 1 02:24:01 -215.826363 0.098460 LBFGSLineSearch: 2 02:24:01 -215.826464 0.047346 LBFGSLineSearch: 3 02:24:01 -215.826562 0.100695 LBFGSLineSearch: 4 02:24:02 -215.826759 0.023617 LBFGSLineSearch: 5 02:24:02 -215.826787 0.008097 LBFGSLineSearch: 6 02:24:02 -215.826792 0.014268 LBFGSLineSearch: 7 02:24:02 -215.826801 0.010803 LBFGSLineSearch: 8 02:24:02 -215.826815 0.011815 LBFGSLineSearch: 9 02:24:02 -215.826833 0.002642 LBFGSLineSearch: 10 02:24:02 -215.826833 0.000083 LBFGSLineSearch: 11 02:24:02 -215.826833 0.000001 Minimization converged after 11 steps. Pressure: -51.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:08 -217.094894 0.063403 LBFGSLineSearch: 1 02:24:08 -217.094977 0.098951 LBFGSLineSearch: 2 02:24:08 -217.095078 0.047740 LBFGSLineSearch: 3 02:24:08 -217.095175 0.101569 LBFGSLineSearch: 4 02:24:08 -217.095376 0.023406 LBFGSLineSearch: 5 02:24:08 -217.095405 0.007321 LBFGSLineSearch: 6 02:24:08 -217.095407 0.011038 LBFGSLineSearch: 7 02:24:08 -217.095418 0.011930 LBFGSLineSearch: 8 02:24:08 -217.095434 0.012700 LBFGSLineSearch: 9 02:24:09 -217.095451 0.003153 LBFGSLineSearch: 10 02:24:09 -217.095451 0.000048 LBFGSLineSearch: 11 02:24:09 -217.095451 0.000000 Minimization converged after 11 steps. Pressure: -51.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:14 -218.364629 0.063459 LBFGSLineSearch: 1 02:24:14 -218.364711 0.099450 LBFGSLineSearch: 2 02:24:15 -218.364813 0.048136 LBFGSLineSearch: 3 02:24:15 -218.364910 0.102433 LBFGSLineSearch: 4 02:24:15 -218.365114 0.023198 LBFGSLineSearch: 5 02:24:15 -218.365144 0.006488 LBFGSLineSearch: 6 02:24:15 -218.365145 0.012454 LBFGSLineSearch: 7 02:24:15 -218.365155 0.010758 LBFGSLineSearch: 8 02:24:15 -218.365172 0.009539 LBFGSLineSearch: 9 02:24:15 -218.365191 0.004378 LBFGSLineSearch: 10 02:24:15 -218.365191 0.000077 LBFGSLineSearch: 11 02:24:16 -218.365191 0.000000 Minimization converged after 11 steps. Pressure: -52.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:21 -219.635495 0.063515 LBFGSLineSearch: 1 02:24:21 -219.635577 0.099957 LBFGSLineSearch: 2 02:24:21 -219.635679 0.048541 LBFGSLineSearch: 3 02:24:21 -219.635775 0.103303 LBFGSLineSearch: 4 02:24:21 -219.635984 0.022981 LBFGSLineSearch: 5 02:24:21 -219.636014 0.006144 LBFGSLineSearch: 6 02:24:21 -219.636016 0.010327 LBFGSLineSearch: 7 02:24:22 -219.636027 0.010743 LBFGSLineSearch: 8 02:24:22 -219.636041 0.010060 LBFGSLineSearch: 9 02:24:22 -219.636061 0.010551 LBFGSLineSearch: 10 02:24:22 -219.636062 0.002006 LBFGSLineSearch: 11 02:24:22 -219.636062 0.000002 Minimization converged after 11 steps. Pressure: -52.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:27 -220.907502 0.063572 LBFGSLineSearch: 1 02:24:27 -220.907585 0.100459 LBFGSLineSearch: 2 02:24:27 -220.907687 0.048932 LBFGSLineSearch: 3 02:24:27 -220.907782 0.104139 LBFGSLineSearch: 4 02:24:27 -220.907995 0.022800 LBFGSLineSearch: 5 02:24:27 -220.908026 0.007954 LBFGSLineSearch: 6 02:24:27 -220.908028 0.010052 LBFGSLineSearch: 7 02:24:27 -220.908038 0.010841 LBFGSLineSearch: 8 02:24:28 -220.908053 0.010129 LBFGSLineSearch: 9 02:24:28 -220.908072 0.014377 LBFGSLineSearch: 10 02:24:28 -220.908075 0.004272 LBFGSLineSearch: 11 02:24:28 -220.908075 0.000007 Minimization converged after 11 steps. Pressure: -53.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:33 -222.180662 0.063629 LBFGSLineSearch: 1 02:24:33 -222.180744 0.100962 LBFGSLineSearch: 2 02:24:33 -222.180847 0.049313 LBFGSLineSearch: 3 02:24:34 -222.180942 0.104938 LBFGSLineSearch: 4 02:24:34 -222.181158 0.022663 LBFGSLineSearch: 5 02:24:34 -222.181189 0.009856 LBFGSLineSearch: 6 02:24:34 -222.181193 0.009898 LBFGSLineSearch: 7 02:24:34 -222.181202 0.012088 LBFGSLineSearch: 8 02:24:34 -222.181218 0.010276 LBFGSLineSearch: 9 02:24:34 -222.181235 0.014367 LBFGSLineSearch: 10 02:24:34 -222.181239 0.005147 LBFGSLineSearch: 11 02:24:34 -222.181240 0.000010 LBFGSLineSearch: 12 02:24:34 -222.181240 0.000000 Minimization converged after 12 steps. Pressure: -53.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:39 -223.454985 0.063687 LBFGSLineSearch: 1 02:24:39 -223.455067 0.101532 LBFGSLineSearch: 2 02:24:39 -223.455170 0.049786 LBFGSLineSearch: 3 02:24:40 -223.455264 0.105899 LBFGSLineSearch: 4 02:24:40 -223.455485 0.022355 LBFGSLineSearch: 5 02:24:40 -223.455516 0.011851 LBFGSLineSearch: 6 02:24:40 -223.455520 0.009830 LBFGSLineSearch: 7 02:24:40 -223.455528 0.013390 LBFGSLineSearch: 8 02:24:41 -223.455548 0.008606 LBFGSLineSearch: 9 02:24:41 -223.455568 0.002288 LBFGSLineSearch: 10 02:24:41 -223.455569 0.000043 LBFGSLineSearch: 11 02:24:41 -223.455569 0.000000 Minimization converged after 11 steps. Pressure: -54.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:46 -224.730482 0.063746 LBFGSLineSearch: 1 02:24:46 -224.730565 0.102073 LBFGSLineSearch: 2 02:24:46 -224.730668 0.050211 LBFGSLineSearch: 3 02:24:46 -224.730761 0.106759 LBFGSLineSearch: 4 02:24:47 -224.730986 0.022166 LBFGSLineSearch: 5 02:24:47 -224.731017 0.013912 LBFGSLineSearch: 6 02:24:47 -224.731023 0.009808 LBFGSLineSearch: 7 02:24:47 -224.731028 0.010833 LBFGSLineSearch: 8 02:24:47 -224.731050 0.007357 LBFGSLineSearch: 9 02:24:47 -224.731064 0.007569 LBFGSLineSearch: 10 02:24:47 -224.731070 0.003409 LBFGSLineSearch: 11 02:24:47 -224.731072 0.000005 Minimization converged after 11 steps. Pressure: -54.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:53 -226.007166 0.063804 LBFGSLineSearch: 1 02:24:53 -226.007248 0.099441 LBFGSLineSearch: 2 02:24:53 -226.007353 0.049434 LBFGSLineSearch: 3 02:24:53 -226.007447 0.106487 LBFGSLineSearch: 4 02:24:53 -226.007672 0.023197 LBFGSLineSearch: 5 02:24:53 -226.007705 0.015534 LBFGSLineSearch: 6 02:24:54 -226.007711 0.009885 LBFGSLineSearch: 7 02:24:54 -226.007716 0.010031 LBFGSLineSearch: 8 02:24:54 -226.007738 0.006414 LBFGSLineSearch: 9 02:24:54 -226.007751 0.007863 LBFGSLineSearch: 10 02:24:54 -226.007761 0.000046 LBFGSLineSearch: 11 02:24:54 -226.007761 0.000001 Minimization converged after 11 steps. Pressure: -55.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:00 -227.285048 0.063865 LBFGSLineSearch: 1 02:25:00 -227.285132 0.082826 LBFGSLineSearch: 2 02:25:00 -227.285239 0.042460 LBFGSLineSearch: 3 02:25:00 -227.285343 0.099970 LBFGSLineSearch: 4 02:25:00 -227.285546 0.033521 LBFGSLineSearch: 5 02:25:00 -227.285593 0.012952 LBFGSLineSearch: 6 02:25:00 -227.285599 0.010271 LBFGSLineSearch: 7 02:25:00 -227.285606 0.008568 LBFGSLineSearch: 8 02:25:00 -227.285628 0.011480 LBFGSLineSearch: 9 02:25:01 -227.285644 0.022445 LBFGSLineSearch: 10 02:25:01 -227.285649 0.002740 LBFGSLineSearch: 11 02:25:01 -227.285649 0.000028 LBFGSLineSearch: 12 02:25:01 -227.285649 0.000001 Minimization converged after 12 steps. Pressure: -55.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:07 -228.564140 0.063925 LBFGSLineSearch: 1 02:25:07 -228.564230 0.065971 LBFGSLineSearch: 2 02:25:07 -228.564336 0.034292 LBFGSLineSearch: 3 02:25:07 -228.564457 0.088448 LBFGSLineSearch: 4 02:25:07 -228.564639 0.026121 LBFGSLineSearch: 5 02:25:07 -228.564691 0.009015 LBFGSLineSearch: 6 02:25:07 -228.564693 0.008939 LBFGSLineSearch: 7 02:25:07 -228.564694 0.011045 LBFGSLineSearch: 8 02:25:07 -228.564697 0.004797 LBFGSLineSearch: 9 02:25:08 -228.564700 0.018006 LBFGSLineSearch: 10 02:25:08 -228.564705 0.009410 LBFGSLineSearch: 11 02:25:08 -228.564711 0.005292 LBFGSLineSearch: 12 02:25:08 -228.564713 0.001791 LBFGSLineSearch: 13 02:25:08 -228.564713 0.000678 LBFGSLineSearch: 14 02:25:08 -228.564713 0.000344 LBFGSLineSearch: 15 02:25:08 -228.564713 0.000062 LBFGSLineSearch: 16 02:25:08 -228.564713 0.000002 Minimization converged after 16 steps. Pressure: -56.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:14 -229.844263 0.063977 LBFGSLineSearch: 1 02:25:14 -229.844342 0.053918 LBFGSLineSearch: 2 02:25:14 -229.844454 0.042683 LBFGSLineSearch: 3 02:25:14 -229.844595 0.041014 LBFGSLineSearch: 4 02:25:14 -229.844646 0.088991 LBFGSLineSearch: 5 02:25:15 -229.844674 0.016087 LBFGSLineSearch: 6 02:25:15 -229.844686 0.020252 LBFGSLineSearch: 7 02:25:15 -229.844690 0.014268 LBFGSLineSearch: 8 02:25:15 -229.844694 0.005778 LBFGSLineSearch: 9 02:25:15 -229.844694 0.002206 LBFGSLineSearch: 10 02:25:15 -229.844695 0.005018 LBFGSLineSearch: 11 02:25:15 -229.844697 0.008215 LBFGSLineSearch: 12 02:25:15 -229.844698 0.000378 LBFGSLineSearch: 13 02:25:15 -229.844698 0.000011 LBFGSLineSearch: 14 02:25:15 -229.844698 0.000001 Minimization converged after 14 steps. Pressure: -56.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:21 -231.125117 0.064021 LBFGSLineSearch: 1 02:25:21 -231.125167 0.074831 LBFGSLineSearch: 2 02:25:22 -231.125386 0.066856 LBFGSLineSearch: 3 02:25:22 -231.125420 0.050239 LBFGSLineSearch: 4 02:25:22 -231.125499 0.049606 LBFGSLineSearch: 5 02:25:22 -231.125522 0.030890 LBFGSLineSearch: 6 02:25:22 -231.125535 0.012904 LBFGSLineSearch: 7 02:25:22 -231.125545 0.005927 LBFGSLineSearch: 8 02:25:22 -231.125549 0.004159 LBFGSLineSearch: 9 02:25:22 -231.125550 0.002966 LBFGSLineSearch: 10 02:25:22 -231.125553 0.001048 LBFGSLineSearch: 11 02:25:22 -231.125553 0.000070 LBFGSLineSearch: 12 02:25:22 -231.125553 0.000003 Minimization converged after 12 steps. Pressure: -57.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:28 -232.406845 0.064067 LBFGSLineSearch: 1 02:25:28 -232.406881 0.098649 LBFGSLineSearch: 2 02:25:29 -232.407055 0.067210 LBFGSLineSearch: 3 02:25:29 -232.407165 0.043412 LBFGSLineSearch: 4 02:25:29 -232.407233 0.053953 LBFGSLineSearch: 5 02:25:29 -232.407250 0.019731 LBFGSLineSearch: 6 02:25:29 -232.407269 0.010484 LBFGSLineSearch: 7 02:25:30 -232.407277 0.010670 LBFGSLineSearch: 8 02:25:30 -232.407278 0.003914 LBFGSLineSearch: 9 02:25:30 -232.407279 0.006963 LBFGSLineSearch: 10 02:25:30 -232.407282 0.002637 LBFGSLineSearch: 11 02:25:30 -232.407283 0.000647 LBFGSLineSearch: 12 02:25:31 -232.407283 0.000047 LBFGSLineSearch: 13 02:25:31 -232.407283 0.000002 Minimization converged after 13 steps. Pressure: -57.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:37 -233.689450 0.064109 LBFGSLineSearch: 1 02:25:37 -233.689486 0.118743 LBFGSLineSearch: 2 02:25:37 -233.689646 0.076024 LBFGSLineSearch: 3 02:25:37 -233.689769 0.042886 LBFGSLineSearch: 4 02:25:37 -233.689851 0.045904 LBFGSLineSearch: 5 02:25:38 -233.689856 0.026600 LBFGSLineSearch: 6 02:25:38 -233.689878 0.009284 LBFGSLineSearch: 7 02:25:38 -233.689883 0.008052 LBFGSLineSearch: 8 02:25:38 -233.689885 0.005971 LBFGSLineSearch: 9 02:25:38 -233.689885 0.004674 LBFGSLineSearch: 10 02:25:38 -233.689888 0.015495 LBFGSLineSearch: 11 02:25:38 -233.689889 0.006285 LBFGSLineSearch: 12 02:25:38 -233.689889 0.000162 LBFGSLineSearch: 13 02:25:38 -233.689889 0.000011 LBFGSLineSearch: 14 02:25:38 -233.689889 0.000000 Minimization converged after 14 steps. Pressure: -58.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:44 -234.972935 0.064152 LBFGSLineSearch: 1 02:25:45 -234.972973 0.112635 LBFGSLineSearch: 2 02:25:45 -234.973139 0.078781 LBFGSLineSearch: 3 02:25:45 -234.973253 0.038638 LBFGSLineSearch: 4 02:25:45 -234.973337 0.060468 LBFGSLineSearch: 5 02:25:45 -234.973346 0.029682 LBFGSLineSearch: 6 02:25:45 -234.973362 0.014544 LBFGSLineSearch: 7 02:25:46 -234.973368 0.014084 LBFGSLineSearch: 8 02:25:46 -234.973371 0.009903 LBFGSLineSearch: 9 02:25:46 -234.973372 0.003703 LBFGSLineSearch: 10 02:25:46 -234.973373 0.011704 LBFGSLineSearch: 11 02:25:46 -234.973376 0.001461 LBFGSLineSearch: 12 02:25:46 -234.973376 0.000449 LBFGSLineSearch: 13 02:25:46 -234.973376 0.000031 LBFGSLineSearch: 14 02:25:47 -234.973376 0.000002 Minimization converged after 14 steps. Pressure: -58.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:52 -236.257304 0.064196 LBFGSLineSearch: 1 02:25:52 -236.257344 0.114671 LBFGSLineSearch: 2 02:25:53 -236.257521 0.084491 LBFGSLineSearch: 3 02:25:53 -236.257627 0.033723 LBFGSLineSearch: 4 02:25:53 -236.257704 0.031700 LBFGSLineSearch: 5 02:25:53 -236.257723 0.044367 LBFGSLineSearch: 6 02:25:53 -236.257727 0.040765 LBFGSLineSearch: 7 02:25:53 -236.257738 0.039419 LBFGSLineSearch: 8 02:25:53 -236.257743 0.006738 LBFGSLineSearch: 9 02:25:53 -236.257743 0.007614 LBFGSLineSearch: 10 02:25:53 -236.257744 0.005839 LBFGSLineSearch: 11 02:25:53 -236.257746 0.006570 LBFGSLineSearch: 12 02:25:53 -236.257747 0.003860 LBFGSLineSearch: 13 02:25:54 -236.257747 0.001682 LBFGSLineSearch: 14 02:25:54 -236.257747 0.000024 LBFGSLineSearch: 15 02:25:54 -236.257747 0.000001 Minimization converged after 15 steps. Pressure: -59.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:25:59 -237.542561 0.064241 LBFGSLineSearch: 1 02:26:00 -237.542603 0.123266 LBFGSLineSearch: 2 02:26:00 -237.542795 0.092449 LBFGSLineSearch: 3 02:26:00 -237.542899 0.029866 LBFGSLineSearch: 4 02:26:00 -237.542959 0.022403 LBFGSLineSearch: 5 02:26:00 -237.542981 0.019786 LBFGSLineSearch: 6 02:26:00 -237.543000 0.012974 LBFGSLineSearch: 7 02:26:00 -237.543001 0.005203 LBFGSLineSearch: 8 02:26:00 -237.543002 0.003634 LBFGSLineSearch: 9 02:26:00 -237.543003 0.008294 LBFGSLineSearch: 10 02:26:00 -237.543005 0.001981 LBFGSLineSearch: 11 02:26:01 -237.543006 0.001943 LBFGSLineSearch: 12 02:26:01 -237.543006 0.002058 LBFGSLineSearch: 13 02:26:01 -237.543007 0.002260 LBFGSLineSearch: 14 02:26:01 -237.543008 0.001027 LBFGSLineSearch: 15 02:26:01 -237.543008 0.000343 LBFGSLineSearch: 16 02:26:01 -237.543008 0.000006 Minimization converged after 16 steps. Pressure: -59.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:06 -238.828724 0.064284 LBFGSLineSearch: 1 02:26:07 -238.828767 0.127888 LBFGSLineSearch: 2 02:26:07 -238.828969 0.097852 LBFGSLineSearch: 3 02:26:07 -238.829075 0.027850 LBFGSLineSearch: 4 02:26:07 -238.829127 0.019885 LBFGSLineSearch: 5 02:26:07 -238.829150 0.018348 LBFGSLineSearch: 6 02:26:07 -238.829166 0.006110 LBFGSLineSearch: 7 02:26:07 -238.829169 0.004467 LBFGSLineSearch: 8 02:26:08 -238.829171 0.004884 LBFGSLineSearch: 9 02:26:08 -238.829179 0.008419 LBFGSLineSearch: 10 02:26:08 -238.829184 0.002497 LBFGSLineSearch: 11 02:26:08 -238.829185 0.000081 LBFGSLineSearch: 12 02:26:08 -238.829185 0.000000 Minimization converged after 12 steps. Pressure: -60.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:14 -240.115825 0.064332 LBFGSLineSearch: 1 02:26:15 -240.115869 0.127984 LBFGSLineSearch: 2 02:26:15 -240.116073 0.098817 LBFGSLineSearch: 3 02:26:15 -240.116179 0.027260 LBFGSLineSearch: 4 02:26:15 -240.116231 0.018401 LBFGSLineSearch: 5 02:26:15 -240.116254 0.018690 LBFGSLineSearch: 6 02:26:15 -240.116270 0.006097 LBFGSLineSearch: 7 02:26:15 -240.116272 0.004466 LBFGSLineSearch: 8 02:26:15 -240.116274 0.005213 LBFGSLineSearch: 9 02:26:15 -240.116284 0.006296 LBFGSLineSearch: 10 02:26:15 -240.116287 0.003034 LBFGSLineSearch: 11 02:26:15 -240.116288 0.001715 LBFGSLineSearch: 12 02:26:15 -240.116289 0.000907 LBFGSLineSearch: 13 02:26:15 -240.116289 0.000262 LBFGSLineSearch: 14 02:26:16 -240.116289 0.000013 LBFGSLineSearch: 15 02:26:16 -240.116289 0.000000 Minimization converged after 15 steps. Pressure: -60.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:22 -241.403856 0.064378 LBFGSLineSearch: 1 02:26:22 -241.403900 0.128096 LBFGSLineSearch: 2 02:26:22 -241.404106 0.099818 LBFGSLineSearch: 3 02:26:22 -241.404213 0.026602 LBFGSLineSearch: 4 02:26:22 -241.404265 0.016855 LBFGSLineSearch: 5 02:26:23 -241.404288 0.019080 LBFGSLineSearch: 6 02:26:23 -241.404304 0.006085 LBFGSLineSearch: 7 02:26:23 -241.404306 0.004478 LBFGSLineSearch: 8 02:26:23 -241.404307 0.005486 LBFGSLineSearch: 9 02:26:23 -241.404320 0.003730 LBFGSLineSearch: 10 02:26:23 -241.404322 0.000790 LBFGSLineSearch: 11 02:26:24 -241.404322 0.000223 LBFGSLineSearch: 12 02:26:24 -241.404322 0.000000 Minimization converged after 12 steps. Pressure: -61.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:30 -242.692821 0.064425 LBFGSLineSearch: 1 02:26:30 -242.692866 0.128218 LBFGSLineSearch: 2 02:26:30 -242.693073 0.100892 LBFGSLineSearch: 3 02:26:30 -242.693181 0.025866 LBFGSLineSearch: 4 02:26:30 -242.693232 0.015262 LBFGSLineSearch: 5 02:26:30 -242.693251 0.030405 LBFGSLineSearch: 6 02:26:31 -242.693271 0.006100 LBFGSLineSearch: 7 02:26:31 -242.693273 0.004664 LBFGSLineSearch: 8 02:26:31 -242.693274 0.003539 LBFGSLineSearch: 9 02:26:31 -242.693287 0.003639 LBFGSLineSearch: 10 02:26:31 -242.693289 0.003465 LBFGSLineSearch: 11 02:26:31 -242.693289 0.000857 LBFGSLineSearch: 12 02:26:31 -242.693289 0.000135 LBFGSLineSearch: 13 02:26:31 -242.693289 0.000000 Minimization converged after 13 steps. Pressure: -61.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:37 -243.982725 0.064472 LBFGSLineSearch: 1 02:26:37 -243.982769 0.128353 LBFGSLineSearch: 2 02:26:37 -243.982978 0.102052 LBFGSLineSearch: 3 02:26:37 -243.983089 0.025042 LBFGSLineSearch: 4 02:26:37 -243.983139 0.013636 LBFGSLineSearch: 5 02:26:37 -243.983158 0.029779 LBFGSLineSearch: 6 02:26:37 -243.983178 0.006103 LBFGSLineSearch: 7 02:26:37 -243.983179 0.004671 LBFGSLineSearch: 8 02:26:37 -243.983181 0.004322 LBFGSLineSearch: 9 02:26:37 -243.983193 0.003643 LBFGSLineSearch: 10 02:26:37 -243.983195 0.002506 LBFGSLineSearch: 11 02:26:37 -243.983195 0.000307 LBFGSLineSearch: 12 02:26:38 -243.983195 0.000000 Minimization converged after 12 steps. Pressure: -62.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:44 -245.273572 0.064519 LBFGSLineSearch: 1 02:26:44 -245.273616 0.128502 LBFGSLineSearch: 2 02:26:44 -245.273828 0.103308 LBFGSLineSearch: 3 02:26:44 -245.273940 0.024115 LBFGSLineSearch: 4 02:26:44 -245.273989 0.013032 LBFGSLineSearch: 5 02:26:44 -245.274010 0.028663 LBFGSLineSearch: 6 02:26:44 -245.274028 0.007229 LBFGSLineSearch: 7 02:26:44 -245.274030 0.004687 LBFGSLineSearch: 8 02:26:44 -245.274031 0.005052 LBFGSLineSearch: 9 02:26:44 -245.274042 0.003557 LBFGSLineSearch: 10 02:26:44 -245.274045 0.001222 LBFGSLineSearch: 11 02:26:44 -245.274045 0.000262 LBFGSLineSearch: 12 02:26:45 -245.274045 0.000000 Minimization converged after 12 steps. Pressure: -62.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:50 -246.565369 0.064566 LBFGSLineSearch: 1 02:26:51 -246.565414 0.128667 LBFGSLineSearch: 2 02:26:51 -246.565628 0.104683 LBFGSLineSearch: 3 02:26:51 -246.565742 0.023068 LBFGSLineSearch: 4 02:26:51 -246.565790 0.012764 LBFGSLineSearch: 5 02:26:51 -246.565813 0.026741 LBFGSLineSearch: 6 02:26:51 -246.565827 0.010191 LBFGSLineSearch: 7 02:26:51 -246.565830 0.004708 LBFGSLineSearch: 8 02:26:51 -246.565831 0.005359 LBFGSLineSearch: 9 02:26:51 -246.565842 0.003540 LBFGSLineSearch: 10 02:26:51 -246.565844 0.002237 LBFGSLineSearch: 11 02:26:51 -246.565845 0.000178 LBFGSLineSearch: 12 02:26:51 -246.565845 0.000001 Minimization converged after 12 steps. Pressure: -63.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:26:57 -247.858123 0.064613 LBFGSLineSearch: 1 02:26:57 -247.858168 0.128561 LBFGSLineSearch: 2 02:26:58 -247.858385 0.106171 LBFGSLineSearch: 3 02:26:58 -247.858502 0.021881 LBFGSLineSearch: 4 02:26:58 -247.858548 0.012436 LBFGSLineSearch: 5 02:26:58 -247.858575 0.023534 LBFGSLineSearch: 6 02:26:58 -247.858586 0.006213 LBFGSLineSearch: 7 02:26:58 -247.858588 0.004706 LBFGSLineSearch: 8 02:26:59 -247.858589 0.003398 LBFGSLineSearch: 9 02:26:59 -247.858600 0.003831 LBFGSLineSearch: 10 02:26:59 -247.858603 0.000948 LBFGSLineSearch: 11 02:26:59 -247.858603 0.000043 LBFGSLineSearch: 12 02:26:59 -247.858603 0.000000 Minimization converged after 12 steps. Pressure: -63.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:05 -249.151842 0.064662 LBFGSLineSearch: 1 02:27:05 -249.151887 0.128764 LBFGSLineSearch: 2 02:27:05 -249.152108 0.107863 LBFGSLineSearch: 3 02:27:05 -249.152229 0.020527 LBFGSLineSearch: 4 02:27:05 -249.152285 0.012197 LBFGSLineSearch: 5 02:27:05 -249.152302 0.018302 LBFGSLineSearch: 6 02:27:05 -249.152311 0.004696 LBFGSLineSearch: 7 02:27:05 -249.152313 0.003397 LBFGSLineSearch: 8 02:27:06 -249.152318 0.006573 LBFGSLineSearch: 9 02:27:06 -249.152324 0.003977 LBFGSLineSearch: 10 02:27:06 -249.152326 0.000055 LBFGSLineSearch: 11 02:27:06 -249.152326 0.000000 Minimization converged after 11 steps. Pressure: -64.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:11 -250.446536 0.064710 LBFGSLineSearch: 1 02:27:11 -250.446581 0.128999 LBFGSLineSearch: 2 02:27:11 -250.446806 0.109778 LBFGSLineSearch: 3 02:27:12 -250.446932 0.018975 LBFGSLineSearch: 4 02:27:12 -250.446988 0.014550 LBFGSLineSearch: 5 02:27:12 -250.447006 0.010011 LBFGSLineSearch: 6 02:27:12 -250.447010 0.006006 LBFGSLineSearch: 7 02:27:12 -250.447012 0.003491 LBFGSLineSearch: 8 02:27:12 -250.447013 0.004707 LBFGSLineSearch: 9 02:27:12 -250.447022 0.004185 LBFGSLineSearch: 10 02:27:12 -250.447026 0.000107 LBFGSLineSearch: 11 02:27:12 -250.447026 0.000000 Minimization converged after 11 steps. Pressure: -64.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:18 -251.742218 0.064760 LBFGSLineSearch: 1 02:27:18 -251.742263 0.129267 LBFGSLineSearch: 2 02:27:18 -251.742493 0.111985 LBFGSLineSearch: 3 02:27:18 -251.742624 0.017194 LBFGSLineSearch: 4 02:27:18 -251.742679 0.021393 LBFGSLineSearch: 5 02:27:18 -251.742695 0.011140 LBFGSLineSearch: 6 02:27:18 -251.742700 0.004487 LBFGSLineSearch: 7 02:27:18 -251.742701 0.004336 LBFGSLineSearch: 8 02:27:19 -251.742707 0.002940 LBFGSLineSearch: 9 02:27:19 -251.742710 0.003772 LBFGSLineSearch: 10 02:27:19 -251.742713 0.003061 LBFGSLineSearch: 11 02:27:19 -251.742715 0.000022 LBFGSLineSearch: 12 02:27:19 -251.742715 0.000000 Minimization converged after 12 steps. Pressure: -65.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:24 -253.038903 0.064809 LBFGSLineSearch: 1 02:27:25 -253.038949 0.129581 LBFGSLineSearch: 2 02:27:25 -253.039184 0.114582 LBFGSLineSearch: 3 02:27:25 -253.039323 0.015173 LBFGSLineSearch: 4 02:27:25 -253.039372 0.027919 LBFGSLineSearch: 5 02:27:25 -253.039387 0.010436 LBFGSLineSearch: 6 02:27:25 -253.039395 0.004700 LBFGSLineSearch: 7 02:27:25 -253.039396 0.002498 LBFGSLineSearch: 8 02:27:25 -253.039401 0.005023 LBFGSLineSearch: 9 02:27:25 -253.039406 0.005028 LBFGSLineSearch: 10 02:27:25 -253.039409 0.000038 LBFGSLineSearch: 11 02:27:25 -253.039409 0.000000 Minimization converged after 11 steps. Pressure: -65.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:31 -254.336613 0.064860 LBFGSLineSearch: 1 02:27:31 -254.336659 0.129959 LBFGSLineSearch: 2 02:27:31 -254.336901 0.117741 LBFGSLineSearch: 3 02:27:31 -254.337052 0.014922 LBFGSLineSearch: 4 02:27:32 -254.337087 0.029005 LBFGSLineSearch: 5 02:27:32 -254.337109 0.015641 LBFGSLineSearch: 6 02:27:32 -254.337117 0.004689 LBFGSLineSearch: 7 02:27:32 -254.337118 0.003480 LBFGSLineSearch: 8 02:27:32 -254.337122 0.003024 LBFGSLineSearch: 9 02:27:32 -254.337125 0.004446 LBFGSLineSearch: 10 02:27:33 -254.337131 0.000556 LBFGSLineSearch: 11 02:27:33 -254.337131 0.000166 LBFGSLineSearch: 12 02:27:33 -254.337131 0.000000 Minimization converged after 12 steps. Pressure: -66.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:38 -255.635378 0.064912 LBFGSLineSearch: 1 02:27:39 -255.635424 0.130423 LBFGSLineSearch: 2 02:27:39 -255.635675 0.121755 LBFGSLineSearch: 3 02:27:39 -255.635843 0.015345 LBFGSLineSearch: 4 02:27:39 -255.635865 0.017028 LBFGSLineSearch: 5 02:27:39 -255.635899 0.009723 LBFGSLineSearch: 6 02:27:39 -255.635901 0.004185 LBFGSLineSearch: 7 02:27:39 -255.635903 0.006254 LBFGSLineSearch: 8 02:27:39 -255.635907 0.003614 LBFGSLineSearch: 9 02:27:39 -255.635916 0.002256 LBFGSLineSearch: 10 02:27:39 -255.635916 0.000340 LBFGSLineSearch: 11 02:27:39 -255.635916 0.000147 LBFGSLineSearch: 12 02:27:39 -255.635916 0.000000 Minimization converged after 12 steps. Pressure: -66.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:45 -256.935248 0.064967 LBFGSLineSearch: 1 02:27:45 -256.935294 0.131029 LBFGSLineSearch: 2 02:27:45 -256.935558 0.127233 LBFGSLineSearch: 3 02:27:46 -256.935754 0.016114 LBFGSLineSearch: 4 02:27:46 -256.935770 0.025617 LBFGSLineSearch: 5 02:27:46 -256.935796 0.007633 LBFGSLineSearch: 6 02:27:46 -256.935805 0.003174 LBFGSLineSearch: 7 02:27:46 -256.935807 0.004058 LBFGSLineSearch: 8 02:27:46 -256.935808 0.005425 LBFGSLineSearch: 9 02:27:46 -256.935812 0.003223 LBFGSLineSearch: 10 02:27:46 -256.935816 0.005162 LBFGSLineSearch: 11 02:27:46 -256.935821 0.001033 LBFGSLineSearch: 12 02:27:46 -256.935821 0.000138 LBFGSLineSearch: 13 02:27:46 -256.935821 0.000000 Minimization converged after 13 steps. Pressure: -67.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:27:52 -258.236319 0.065025 LBFGSLineSearch: 1 02:27:52 -258.236366 0.131905 LBFGSLineSearch: 2 02:27:52 -258.236648 0.135777 LBFGSLineSearch: 3 02:27:52 -258.236904 0.023055 LBFGSLineSearch: 4 02:27:52 -258.236938 0.019782 LBFGSLineSearch: 5 02:27:53 -258.236964 0.006046 LBFGSLineSearch: 6 02:27:53 -258.236970 0.003844 LBFGSLineSearch: 7 02:27:53 -258.236972 0.003903 LBFGSLineSearch: 8 02:27:53 -258.236974 0.004855 LBFGSLineSearch: 9 02:27:53 -258.236981 0.005642 LBFGSLineSearch: 10 02:27:54 -258.236987 0.001946 LBFGSLineSearch: 11 02:27:54 -258.236989 0.001721 LBFGSLineSearch: 12 02:27:54 -258.236989 0.000415 LBFGSLineSearch: 13 02:27:54 -258.236989 0.000008 Minimization converged after 13 steps. Pressure: -67.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:00 -259.538928 0.065101 LBFGSLineSearch: 1 02:28:00 -259.538976 0.133742 LBFGSLineSearch: 2 02:28:00 -259.539306 0.156735 LBFGSLineSearch: 3 02:28:00 -259.539894 0.097907 LBFGSLineSearch: 4 02:28:00 -266.701369 8.927578 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 4 steps. Final forces: [[ 6.14044920e-18 -7.71185007e-01 6.01587145e-01] [ 6.67865807e-01 3.85592504e-01 6.01587145e-01] [-6.67865807e-01 3.85592504e-01 6.01587145e-01] [-6.14044920e-18 7.71185007e-01 6.01587145e-01] [-6.67865807e-01 -3.85592504e-01 6.01587145e-01] [ 6.67865807e-01 -3.85592504e-01 6.01587145e-01] [-3.16166255e-35 -8.27509648e-18 8.71528631e+00] [-4.32796990e-29 -8.27509648e-18 8.71528631e+00] [-2.04759699e-16 4.15321501e+00 -2.14155653e+00] [-3.59678970e+00 -2.07660750e+00 -2.14155653e+00] [ 3.59678970e+00 -2.07660750e+00 -2.14155653e+00] [ 6.20002068e-17 -4.15321501e+00 -2.14155653e+00] [ 3.59678970e+00 2.07660750e+00 -2.14155653e+00] [-3.59678970e+00 2.07660750e+00 -2.14155653e+00] [-4.91412291e-17 -2.39887548e+00 -1.36512605e+00] [ 2.07748711e+00 1.19943774e+00 -1.36512605e+00] [-2.07748711e+00 1.19943774e+00 -1.36512605e+00] [ 4.91412291e-17 2.39887548e+00 -1.36512605e+00] [-2.07748711e+00 -1.19943774e+00 -1.36512605e+00] [ 2.07748711e+00 -1.19943774e+00 -1.36512605e+00]] Final stress: [ 2.77045798e-01 2.77045798e-01 3.01227537e-01 2.20461433e-19 -6.08124498e-36 2.29967121e-19] Pressure: -68.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:28:06 -268.091827 8.715286 LBFGSLineSearch: 1 02:28:06 -269.416330 6.627563 LBFGSLineSearch: 2 02:28:06 -275.721532 9.258125 LBFGSLineSearch: 3 02:28:06 -288.914879 14.753377 LBFGSLineSearch: 4 02:28:07 -307.694465 11.846084 LBFGSLineSearch: 5 02:28:07 -318.948810 14.992740 Failed to get energy or crystal structure at pressure -68.0 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')