Model name? EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? 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The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guesses for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation are used:\n1) a (angstrom): 11.8274, b/a: 0.4275665, c/a: 0.44659012, beta: 81.5056, y1: 0.41328487, x2: 0.8837067, y2: 0.70242178, z2: 0.094352322, x3: 0.9035336, y3: 0.93194864, z3: 0.4066338, x4: 0.78565419, y4: 0.39551601, z4: 0.29387664, obtained from OpenKIM Reference Data item RD_908245700773_000\n2) a (angstrom): 12.1357, b/a: 0.40989807, c/a: 0.43385219, beta: 78.1354, y1: 0.58118591, x2: 0.6160505, y2: 0.19947948, z2: 0.90490285, x3: 0.59809401, y3: 0.43498172, z3: 0.59873978, x4: 0.71184084, y4: 0.90265553, z4: 0.69440332, obtained from OpenKIM Reference Data item RD_196807244970_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-04-22 16:18:03.246727" }, "subject": { "extended-id": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "short-id": "MO_143977152728_005", "kimid-prefix": "EAM_Dynamo_HepburnAckland_2008_FeC", "kimid-typecode": "mo", "kimid-number": "143977152728", "kimid-version": "005", "kimid-version-as-integer": 5, "name": "EAM_Dynamo_HepburnAckland_2008_FeC", "type": "mo", "kimnum": "143977152728", "version": 5, "shortcode": "MO_143977152728", "kimcode": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "path": "mo/EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "approved": true, "_id": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "makeable": true, "subject": true, "driver": { "extended-id": "EAM_Dynamo__MD_120291908751_005", "short-id": "MD_120291908751_005", "kimid-prefix": "EAM_Dynamo", "kimid-typecode": "md", "kimid-number": "120291908751", "kimid-version": "005", "kimid-version-as-integer": 5, "name": "EAM_Dynamo", "type": "md", "kimnum": "120291908751", "version": 5, "shortcode": "MD_120291908751", "kimcode": "EAM_Dynamo__MD_120291908751_005", "path": "md/EAM_Dynamo__MD_120291908751_005", "approved": true, "_id": "EAM_Dynamo__MD_120291908751_005", "makeable": true, "driver": true, "contributor-id": "b645a915-d1fa-4155-a3da-65469f990011", "description": "Embedded-Atom Method (EAM) Model Driver that reads 'Dynamo setfl', 'Dynamo funcfl', and 'Finnis Sinclair setfl' table files for the EAM and Finnis-Sinclair potentials (the type of table file provided is detected automatically). Written in C++, this driver reproduces the behavior of the eam, eam/alloy, and eam/fs pair styles in LAMMPS. That is, all interpolation is performed using cubic Hermite splines, just as is done in the aforementioned pair styles found in LAMMPS. The only difference is that, while these pair styles will perform linear extrapolation in the event that the density is outside of the interpolative regime tabulated in the parameter file for the relevant species, the implementation provided here will simply return an error message and exit rather than performing any extrapolation.", "developer": [ "0bd1b457-8e6a-46e9-8daf-b7388550ec15", "05936d64-2312-402a-9873-5b6799e9f6db", "7126cfb2-333b-4d07-b33e-a00a5523fb0e", "72b3a58d-370e-4c01-8316-e6d9de0eb361" ], "doi": "10.25950/68defa36", "domain": "openkim.org", "executables": [ "CreateDispatch.sh" ], "kim-api-version": "2.0", "maintainer-id": "b645a915-d1fa-4155-a3da-65469f990011", "publication-year": "2018", "simulator-potential-compatibility": [ { "compatibility": "full", "compatibility-notes": "Requirement for EAM parameter files: To enable auto-detection of table file type (setfl, funcfl, Finnis-Sinclair), all real values within the file are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values.", "simulator-potential": "eam", "simulator-name": "LAMMPS" }, { "compatibility": "full", "compatibility-notes": "Requirement for EAM parameter files: To enable auto-detection of table file type (setfl, funcfl, Finnis-Sinclair), all real values within the file are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values.", "simulator-potential": "eam/alloy", "simulator-name": "LAMMPS" }, { "compatibility": "full", "compatibility-notes": "Requirement for EAM parameter files: To enable auto-detection of table file type (setfl, funcfl, Finnis-Sinclair), all real values within the file are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values.", "simulator-potential": "eam/fs", "simulator-name": "LAMMPS" } ], "source-citations": [ { "author": "Foiles, S. M. and Baskes, M. I. and Daw, M. S.", "doi": "10.1103/PhysRevB.33.7983", "issue": "12", "journal": "Phys. Rev. B", "pages": "7983--7991", "publisher": "American Physical Society", "recordkey": "MD_120291908751_005a", "recordtype": "article", "title": "Embedded-atom-method functions for the fcc metals {Cu}, {Ag}, {Au}, {Ni}, {Pd}, {Pt}, and their alloys", "volume": "33", "year": "1986" }, { "author": "S. Plimpton", "doi": "10.1006/jcph.1995.1039", "journal": "Journal of Computational Physics", "number": "1", "pages": "1--19", "recordkey": "MD_120291908751_005b", "recordtype": "article", "title": "Fast Parallel Algorithms for Short-Range Molecular Dynamics", "volume": "117", "year": "1995" } ], "title": "EAM Model Driver for tabulated potentials with cubic Hermite spline interpolation as used in LAMMPS v005", "created_on": "2025-05-14 19:26:52.321610" }, "content-origin": "http://www.ctcms.nist.gov/potentials/C.html", "contributor-id": "c3e36b7f-82b0-46cb-9af3-94f80655331e", "description": "Potential model for iron-carbon incorporation covalent bonding effects. At time of publication this was the only potential which binds properly to vacancies and NOT to interstitials. This gives it the right energetics in a dislocation core, and at a surface. Good clustering of C behavior and fct martensite. Solution energy -7.13eV, migration energy 0.89eV (i.e. diffuses more slowly than vacancies). Compatible with Ackland-Mendelev '04 iron.", "developer": [ "7ab02670-57c6-4d83-825d-119c29b4fe91", "c3e36b7f-82b0-46cb-9af3-94f80655331e" ], "disclaimer": "Does not describe cementite. Does not describe Carbon.", "doi": "10.25950/a38f2843", "domain": "openkim.org", "kim-api-version": "2.0", "maintainer-id": "c3e36b7f-82b0-46cb-9af3-94f80655331e", "model-driver": "EAM_Dynamo__MD_120291908751_005", "potential-type": "eam", "publication-year": "2018", "source-citations": [ { "author": "Hepburn, Derek J. and Ackland, Graeme J.", "doi": "10.1103/PhysRevB.78.165115", "issue": "16", "journal": "Physical Review B", "month": "Oct", "numpages": "6", "pages": "165115", "publisher": "American Physical Society", "recordkey": "MO_143977152728_005a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Metallic-covalent interatomic potential for carbon in iron", "volume": "78", "year": "2008" } ], "species": [ "Fe", "C" ], "title": "EAM potential (LAMMPS cubic hermite tabulation) for the FeC system developed by Ackland and Hepburn (2008) v005", "created_on": "2023-10-07 02:45:40.325935" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_143977152728_005-1750699546-tr", "created_on": "2025-06-23 18:22:07.470979", "dependencies": [] }, "created_on": "2025-06-23 18:22:07.470979", "inserted_on": "2025-06-23 18:24:06.036883", "latest": true }, { "property-id": "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "instance-id": 4, "prototype-label": { "source-value": "A2B5_mC28_15_f_e2f" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 12.457292996721447, "source-unit": "angstrom", "si-unit": "m", "si-value": 1.245729299672145e-09 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "y1", "x2", "y2", "z2", "x3", "y3", "z3", "x4", "y4", "z4" ] }, "parameter-values": { "source-value": [ 0.38587825369662987, 0.36541410096877697, 79.68905425727908, 0.9237687290186288, 0.3744779457627099, 0.7117597279167415, 0.019998290783710626, 0.40173232165205075, 0.9201054874764383, 0.35932474110629253, 0.795766400829578, 0.8983250722752725, 0.21237046746202592 ] }, "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_196807244970_000" ] ] }, "coordinates-file": { "source-value": "instance-4.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-4.poscar" }, "meta": { "uuid": "TE_712723756130_003-and-MO_143977152728_005-1750699546-tr", "path": "tr/TE_712723756130_003-and-MO_143977152728_005-1750699546-tr", "type": "tr", "_id": "TE_712723756130_003-and-MO_143977152728_005-1750699546-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "short-id": "TE_712723756130_003", "kimid-prefix": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "kimid-typecode": "te", "kimid-number": "712723756130", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe", "type": "te", "kimnum": "712723756130", "version": 3, "shortcode": "TE_712723756130", "kimcode": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "path": "te/EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "approved": true, "_id": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "makeable": true, "runner": true, "driver": { "extended-id": "EquilibriumCrystalStructure__TD_457028483760_003", "short-id": "TD_457028483760_003", "kimid-prefix": "EquilibriumCrystalStructure", "kimid-typecode": "td", "kimid-number": "457028483760", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure", "type": "td", "kimnum": "457028483760", "version": 3, "shortcode": "TD_457028483760", "kimcode": "EquilibriumCrystalStructure__TD_457028483760_003", "path": "td/EquilibriumCrystalStructure__TD_457028483760_003", "approved": true, "_id": "EquilibriumCrystalStructure__TD_457028483760_003", "makeable": true, "driver": true, "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guesses for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation are used:\n1) a (angstrom): 11.8274, b/a: 0.4275665, c/a: 0.44659012, beta: 81.5056, y1: 0.41328487, x2: 0.8837067, y2: 0.70242178, z2: 0.094352322, x3: 0.9035336, y3: 0.93194864, z3: 0.4066338, x4: 0.78565419, y4: 0.39551601, z4: 0.29387664, obtained from OpenKIM Reference Data item RD_908245700773_000\n2) a (angstrom): 12.1357, b/a: 0.40989807, c/a: 0.43385219, beta: 78.1354, y1: 0.58118591, x2: 0.6160505, y2: 0.19947948, z2: 0.90490285, x3: 0.59809401, y3: 0.43498172, z3: 0.59873978, x4: 0.71184084, y4: 0.90265553, z4: 0.69440332, obtained from OpenKIM Reference Data item RD_196807244970_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-04-22 16:18:03.246727" }, "subject": { "extended-id": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "short-id": "MO_143977152728_005", "kimid-prefix": "EAM_Dynamo_HepburnAckland_2008_FeC", "kimid-typecode": "mo", "kimid-number": "143977152728", "kimid-version": "005", "kimid-version-as-integer": 5, "name": "EAM_Dynamo_HepburnAckland_2008_FeC", "type": "mo", "kimnum": "143977152728", "version": 5, "shortcode": "MO_143977152728", "kimcode": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "path": "mo/EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "approved": true, "_id": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "makeable": true, "subject": true, "driver": { "extended-id": "EAM_Dynamo__MD_120291908751_005", "short-id": "MD_120291908751_005", "kimid-prefix": "EAM_Dynamo", "kimid-typecode": "md", "kimid-number": "120291908751", "kimid-version": "005", "kimid-version-as-integer": 5, "name": "EAM_Dynamo", "type": "md", "kimnum": "120291908751", "version": 5, "shortcode": "MD_120291908751", "kimcode": "EAM_Dynamo__MD_120291908751_005", "path": "md/EAM_Dynamo__MD_120291908751_005", "approved": true, "_id": "EAM_Dynamo__MD_120291908751_005", "makeable": true, "driver": true, "contributor-id": "b645a915-d1fa-4155-a3da-65469f990011", "description": "Embedded-Atom Method (EAM) Model Driver that reads 'Dynamo setfl', 'Dynamo funcfl', and 'Finnis Sinclair setfl' table files for the EAM and Finnis-Sinclair potentials (the type of table file provided is detected automatically). Written in C++, this driver reproduces the behavior of the eam, eam/alloy, and eam/fs pair styles in LAMMPS. That is, all interpolation is performed using cubic Hermite splines, just as is done in the aforementioned pair styles found in LAMMPS. The only difference is that, while these pair styles will perform linear extrapolation in the event that the density is outside of the interpolative regime tabulated in the parameter file for the relevant species, the implementation provided here will simply return an error message and exit rather than performing any extrapolation.", "developer": [ "0bd1b457-8e6a-46e9-8daf-b7388550ec15", "05936d64-2312-402a-9873-5b6799e9f6db", "7126cfb2-333b-4d07-b33e-a00a5523fb0e", "72b3a58d-370e-4c01-8316-e6d9de0eb361" ], "doi": "10.25950/68defa36", "domain": "openkim.org", "executables": [ "CreateDispatch.sh" ], "kim-api-version": "2.0", "maintainer-id": "b645a915-d1fa-4155-a3da-65469f990011", "publication-year": "2018", "simulator-potential-compatibility": [ { "compatibility": "full", "compatibility-notes": "Requirement for EAM parameter files: To enable auto-detection of table file type (setfl, funcfl, Finnis-Sinclair), all real values within the file are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values.", "simulator-potential": "eam", "simulator-name": "LAMMPS" }, { "compatibility": "full", "compatibility-notes": "Requirement for EAM parameter files: To enable auto-detection of table file type (setfl, funcfl, Finnis-Sinclair), all real values within the file are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values.", "simulator-potential": "eam/alloy", "simulator-name": "LAMMPS" }, { "compatibility": "full", "compatibility-notes": "Requirement for EAM parameter files: To enable auto-detection of table file type (setfl, funcfl, Finnis-Sinclair), all real values within the file are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values.", "simulator-potential": "eam/fs", "simulator-name": "LAMMPS" } ], "source-citations": [ { "author": "Foiles, S. M. and Baskes, M. I. and Daw, M. S.", "doi": "10.1103/PhysRevB.33.7983", "issue": "12", "journal": "Phys. Rev. B", "pages": "7983--7991", "publisher": "American Physical Society", "recordkey": "MD_120291908751_005a", "recordtype": "article", "title": "Embedded-atom-method functions for the fcc metals {Cu}, {Ag}, {Au}, {Ni}, {Pd}, {Pt}, and their alloys", "volume": "33", "year": "1986" }, { "author": "S. Plimpton", "doi": "10.1006/jcph.1995.1039", "journal": "Journal of Computational Physics", "number": "1", "pages": "1--19", "recordkey": "MD_120291908751_005b", "recordtype": "article", "title": "Fast Parallel Algorithms for Short-Range Molecular Dynamics", "volume": "117", "year": "1995" } ], "title": "EAM Model Driver for tabulated potentials with cubic Hermite spline interpolation as used in LAMMPS v005", "created_on": "2025-05-14 19:26:52.321610" }, "content-origin": "http://www.ctcms.nist.gov/potentials/C.html", "contributor-id": "c3e36b7f-82b0-46cb-9af3-94f80655331e", "description": "Potential model for iron-carbon incorporation covalent bonding effects. At time of publication this was the only potential which binds properly to vacancies and NOT to interstitials. This gives it the right energetics in a dislocation core, and at a surface. Good clustering of C behavior and fct martensite. Solution energy -7.13eV, migration energy 0.89eV (i.e. diffuses more slowly than vacancies). Compatible with Ackland-Mendelev '04 iron.", "developer": [ "7ab02670-57c6-4d83-825d-119c29b4fe91", "c3e36b7f-82b0-46cb-9af3-94f80655331e" ], "disclaimer": "Does not describe cementite. Does not describe Carbon.", "doi": "10.25950/a38f2843", "domain": "openkim.org", "kim-api-version": "2.0", "maintainer-id": "c3e36b7f-82b0-46cb-9af3-94f80655331e", "model-driver": "EAM_Dynamo__MD_120291908751_005", "potential-type": "eam", "publication-year": "2018", "source-citations": [ { "author": "Hepburn, Derek J. and Ackland, Graeme J.", "doi": "10.1103/PhysRevB.78.165115", "issue": "16", "journal": "Physical Review B", "month": "Oct", "numpages": "6", "pages": "165115", "publisher": "American Physical Society", "recordkey": "MO_143977152728_005a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Metallic-covalent interatomic potential for carbon in iron", "volume": "78", "year": "2008" } ], "species": [ "Fe", "C" ], "title": "EAM potential (LAMMPS cubic hermite tabulation) for the FeC system developed by Ackland and Hepburn (2008) v005", "created_on": "2023-10-07 02:45:40.325935" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_143977152728_005-1750699546-tr", "created_on": "2025-06-23 18:22:07.470979", "dependencies": [] }, "created_on": "2025-06-23 18:22:07.470979", "inserted_on": "2025-06-23 18:24:06.311640", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.02530699115786697 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. NOTE: The configuration you provided has a maximum stress component 0.0006958838016140964 eV/angstrom^3 even though the nominal state of the system is unstressed. 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 00:04:12 -61.863358 0.032310 LBFGSLineSearch: 1 00:04:14 -61.863362 0.027602 LBFGSLineSearch: 2 00:04:15 -61.863368 0.038546 LBFGSLineSearch: 3 00:04:16 -61.863396 0.082796 LBFGSLineSearch: 4 00:04:17 -61.863422 0.036965 LBFGSLineSearch: 5 00:04:18 -61.863435 0.005179 LBFGSLineSearch: 6 00:04:19 -61.863438 0.004532 LBFGSLineSearch: 7 00:04:20 -61.863442 0.004580 LBFGSLineSearch: 8 00:04:21 -61.863451 0.007023 LBFGSLineSearch: 9 00:04:22 -61.863453 0.005173 LBFGSLineSearch: 10 00:04:23 -61.863454 0.001152 LBFGSLineSearch: 11 00:04:24 -61.863454 0.000685 LBFGSLineSearch: 12 00:04:24 -61.863454 0.000597 LBFGSLineSearch: 13 00:04:25 -61.863454 0.000447 LBFGSLineSearch: 14 00:04:26 -61.863454 0.000781 LBFGSLineSearch: 15 00:04:27 -61.863454 0.000180 LBFGSLineSearch: 16 00:04:29 -61.863454 0.000155 LBFGSLineSearch: 17 00:04:31 -61.863454 0.000130 LBFGSLineSearch: 18 00:04:32 -61.863454 0.000060 LBFGSLineSearch: 19 00:04:33 -61.863454 0.000040 LBFGSLineSearch: 20 00:04:33 -61.863454 0.000021 LBFGSLineSearch: 21 00:04:34 -61.863454 0.000000 Minimization converged after 21 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:04:44 -61.811392 0.003719 LBFGSLineSearch: 1 00:04:44 -61.811392 0.005325 LBFGSLineSearch: 2 00:04:45 -61.811393 0.010319 LBFGSLineSearch: 3 00:04:46 -61.811393 0.004234 LBFGSLineSearch: 4 00:04:47 -61.811393 0.000593 LBFGSLineSearch: 5 00:04:48 -61.811393 0.001886 LBFGSLineSearch: 6 00:04:50 -61.811393 0.000771 LBFGSLineSearch: 7 00:04:51 -61.811393 0.000735 LBFGSLineSearch: 8 00:04:53 -61.811393 0.000959 LBFGSLineSearch: 9 00:04:54 -61.811393 0.000455 LBFGSLineSearch: 10 00:04:54 -61.811393 0.000144 LBFGSLineSearch: 11 00:04:56 -61.811393 0.000171 LBFGSLineSearch: 12 00:04:59 -61.811393 0.000082 LBFGSLineSearch: 13 00:05:01 -61.811393 0.000041 LBFGSLineSearch: 14 00:05:02 -61.811393 0.000034 LBFGSLineSearch: 15 00:05:03 -61.811393 0.000035 LBFGSLineSearch: 16 00:05:04 -61.811393 0.000015 LBFGSLineSearch: 17 00:05:05 -61.811393 0.000010 Minimization converged after 17 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:05:13 -61.752959 0.004183 LBFGSLineSearch: 1 00:05:14 -61.752959 0.005979 LBFGSLineSearch: 2 00:05:15 -61.752960 0.011585 LBFGSLineSearch: 3 00:05:16 -61.752960 0.004725 LBFGSLineSearch: 4 00:05:17 -61.752960 0.000670 LBFGSLineSearch: 5 00:05:18 -61.752960 0.002101 LBFGSLineSearch: 6 00:05:19 -61.752960 0.000868 LBFGSLineSearch: 7 00:05:20 -61.752960 0.000829 LBFGSLineSearch: 8 00:05:21 -61.752961 0.000961 LBFGSLineSearch: 9 00:05:21 -61.752961 0.000517 LBFGSLineSearch: 10 00:05:23 -61.752961 0.000149 LBFGSLineSearch: 11 00:05:24 -61.752961 0.000249 LBFGSLineSearch: 12 00:05:25 -61.752961 0.000065 LBFGSLineSearch: 13 00:05:26 -61.752961 0.000111 LBFGSLineSearch: 14 00:05:27 -61.752961 0.000031 LBFGSLineSearch: 15 00:05:28 -61.752961 0.000028 LBFGSLineSearch: 16 00:05:29 -61.752961 0.000023 LBFGSLineSearch: 17 00:05:31 -61.752961 0.000016 LBFGSLineSearch: 18 00:05:32 -61.752961 0.000011 LBFGSLineSearch: 19 00:05:34 -61.752961 0.000001 Minimization converged after 19 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:05:44 -61.687374 0.004685 LBFGSLineSearch: 1 00:05:45 -61.687375 0.006725 LBFGSLineSearch: 2 00:05:48 -61.687376 0.013069 LBFGSLineSearch: 3 00:05:49 -61.687376 0.005301 LBFGSLineSearch: 4 00:05:51 -61.687376 0.000749 LBFGSLineSearch: 5 00:05:53 -61.687376 0.002281 LBFGSLineSearch: 6 00:05:53 -61.687376 0.000972 LBFGSLineSearch: 7 00:05:54 -61.687376 0.000930 LBFGSLineSearch: 8 00:05:56 -61.687376 0.001919 LBFGSLineSearch: 9 00:05:57 -61.687376 0.000587 LBFGSLineSearch: 10 00:05:58 -61.687376 0.000238 LBFGSLineSearch: 11 00:05:58 -61.687376 0.000224 LBFGSLineSearch: 12 00:05:59 -61.687376 0.000078 LBFGSLineSearch: 13 00:06:00 -61.687376 0.000145 LBFGSLineSearch: 14 00:06:01 -61.687376 0.000035 LBFGSLineSearch: 15 00:06:02 -61.687376 0.000034 LBFGSLineSearch: 16 00:06:03 -61.687376 0.000019 LBFGSLineSearch: 17 00:06:04 -61.687376 0.000012 LBFGSLineSearch: 18 00:06:05 -61.687376 0.000016 LBFGSLineSearch: 19 00:06:07 -61.687376 0.000000 Minimization converged after 19 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:06:14 -61.613763 0.005258 LBFGSLineSearch: 1 00:06:15 -61.613764 0.007535 LBFGSLineSearch: 2 00:06:16 -61.613765 0.014494 LBFGSLineSearch: 3 00:06:16 -61.613765 0.005909 LBFGSLineSearch: 4 00:06:17 -61.613765 0.000841 LBFGSLineSearch: 5 00:06:18 -61.613765 0.002360 LBFGSLineSearch: 6 00:06:18 -61.613765 0.001080 LBFGSLineSearch: 7 00:06:19 -61.613766 0.001045 LBFGSLineSearch: 8 00:06:20 -61.613766 0.002219 LBFGSLineSearch: 9 00:06:21 -61.613766 0.000681 LBFGSLineSearch: 10 00:06:22 -61.613766 0.000262 LBFGSLineSearch: 11 00:06:22 -61.613766 0.000249 LBFGSLineSearch: 12 00:06:23 -61.613766 0.000114 LBFGSLineSearch: 13 00:06:23 -61.613766 0.000117 LBFGSLineSearch: 14 00:06:24 -61.613766 0.000038 LBFGSLineSearch: 15 00:06:24 -61.613766 0.000038 LBFGSLineSearch: 16 00:06:26 -61.613766 0.000021 LBFGSLineSearch: 17 00:06:26 -61.613766 0.000014 LBFGSLineSearch: 18 00:06:27 -61.613766 0.000009 Minimization converged after 18 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:06:36 -61.531144 0.005904 LBFGSLineSearch: 1 00:06:36 -61.531145 0.008392 LBFGSLineSearch: 2 00:06:37 -61.531146 0.015567 LBFGSLineSearch: 3 00:06:39 -61.531147 0.006457 LBFGSLineSearch: 4 00:06:40 -61.531147 0.000942 LBFGSLineSearch: 5 00:06:42 -61.531147 0.002391 LBFGSLineSearch: 6 00:06:42 -61.531147 0.001196 LBFGSLineSearch: 7 00:06:43 -61.531147 0.001175 LBFGSLineSearch: 8 00:06:44 -61.531147 0.002580 LBFGSLineSearch: 9 00:06:44 -61.531147 0.000805 LBFGSLineSearch: 10 00:06:45 -61.531147 0.000286 LBFGSLineSearch: 11 00:06:45 -61.531147 0.000276 LBFGSLineSearch: 12 00:06:45 -61.531147 0.000151 LBFGSLineSearch: 13 00:06:46 -61.531147 0.000068 LBFGSLineSearch: 14 00:06:47 -61.531147 0.000041 LBFGSLineSearch: 15 00:06:49 -61.531147 0.000040 LBFGSLineSearch: 16 00:06:50 -61.531147 0.000023 LBFGSLineSearch: 17 00:06:52 -61.531147 0.000014 LBFGSLineSearch: 18 00:06:53 -61.531147 0.000016 LBFGSLineSearch: 19 00:06:55 -61.531147 0.000000 Minimization converged after 19 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:04 -61.438415 0.006624 LBFGSLineSearch: 1 00:07:04 -61.438416 0.009497 LBFGSLineSearch: 2 00:07:05 -61.438418 0.018158 LBFGSLineSearch: 3 00:07:05 -61.438419 0.007338 LBFGSLineSearch: 4 00:07:06 -61.438419 0.001074 LBFGSLineSearch: 5 00:07:07 -61.438419 0.002764 LBFGSLineSearch: 6 00:07:07 -61.438419 0.001389 LBFGSLineSearch: 7 00:07:08 -61.438419 0.001332 LBFGSLineSearch: 8 00:07:09 -61.438419 0.002812 LBFGSLineSearch: 9 00:07:09 -61.438420 0.000872 LBFGSLineSearch: 10 00:07:10 -61.438420 0.000320 LBFGSLineSearch: 11 00:07:11 -61.438420 0.000299 LBFGSLineSearch: 12 00:07:11 -61.438420 0.000160 LBFGSLineSearch: 13 00:07:12 -61.438420 0.000112 LBFGSLineSearch: 14 00:07:13 -61.438420 0.000039 LBFGSLineSearch: 15 00:07:14 -61.438420 0.000042 LBFGSLineSearch: 16 00:07:15 -61.438420 0.000043 LBFGSLineSearch: 17 00:07:16 -61.438420 0.000021 LBFGSLineSearch: 18 00:07:17 -61.438420 0.000017 LBFGSLineSearch: 19 00:07:19 -61.438420 0.000001 Minimization converged after 19 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:27 -61.334341 0.007435 LBFGSLineSearch: 1 00:07:28 -61.334342 0.010661 LBFGSLineSearch: 2 00:07:28 -61.334344 0.020349 LBFGSLineSearch: 3 00:07:29 -61.334345 0.008142 LBFGSLineSearch: 4 00:07:30 -61.334345 0.001225 LBFGSLineSearch: 5 00:07:31 -61.334345 0.003046 LBFGSLineSearch: 6 00:07:32 -61.334346 0.001593 LBFGSLineSearch: 7 00:07:33 -61.334346 0.001511 LBFGSLineSearch: 8 00:07:34 -61.334346 0.003135 LBFGSLineSearch: 9 00:07:34 -61.334347 0.000987 LBFGSLineSearch: 10 00:07:35 -61.334347 0.000352 LBFGSLineSearch: 11 00:07:36 -61.334347 0.000326 LBFGSLineSearch: 12 00:07:37 -61.334347 0.000147 LBFGSLineSearch: 13 00:07:38 -61.334347 0.000244 LBFGSLineSearch: 14 00:07:38 -61.334347 0.000112 LBFGSLineSearch: 15 00:07:38 -61.334347 0.000048 LBFGSLineSearch: 16 00:07:39 -61.334347 0.000047 LBFGSLineSearch: 17 00:07:40 -61.334347 0.000030 LBFGSLineSearch: 18 00:07:41 -61.334347 0.000015 LBFGSLineSearch: 19 00:07:41 -61.334347 0.000018 LBFGSLineSearch: 20 00:07:41 -61.334347 0.000000 Minimization converged after 20 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:07:50 -61.217535 0.008344 LBFGSLineSearch: 1 00:07:51 -61.217536 0.011968 LBFGSLineSearch: 2 00:07:52 -61.217539 0.022712 LBFGSLineSearch: 3 00:07:53 -61.217540 0.009064 LBFGSLineSearch: 4 00:07:53 -61.217540 0.001377 LBFGSLineSearch: 5 00:07:54 -61.217540 0.003225 LBFGSLineSearch: 6 00:07:55 -61.217540 0.001778 LBFGSLineSearch: 7 00:07:55 -61.217541 0.001700 LBFGSLineSearch: 8 00:07:56 -61.217541 0.003573 LBFGSLineSearch: 9 00:07:57 -61.217542 0.001136 LBFGSLineSearch: 10 00:07:58 -61.217542 0.000388 LBFGSLineSearch: 11 00:07:59 -61.217542 0.000358 LBFGSLineSearch: 12 00:08:00 -61.217542 0.000133 LBFGSLineSearch: 13 00:08:01 -61.217542 0.000293 LBFGSLineSearch: 14 00:08:02 -61.217542 0.000076 LBFGSLineSearch: 15 00:08:03 -61.217542 0.000047 LBFGSLineSearch: 16 00:08:04 -61.217542 0.000051 LBFGSLineSearch: 17 00:08:04 -61.217542 0.000026 LBFGSLineSearch: 18 00:08:06 -61.217542 0.000028 LBFGSLineSearch: 19 00:08:08 -61.217542 0.000031 LBFGSLineSearch: 20 00:08:08 -61.217542 0.000000 Minimization converged after 20 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:08:16 -61.086440 0.009364 LBFGSLineSearch: 1 00:08:17 -61.086442 0.013437 LBFGSLineSearch: 2 00:08:17 -61.086446 0.025338 LBFGSLineSearch: 3 00:08:18 -61.086447 0.010094 LBFGSLineSearch: 4 00:08:18 -61.086447 0.001530 LBFGSLineSearch: 5 00:08:21 -61.086447 0.003453 LBFGSLineSearch: 6 00:08:21 -61.086448 0.001943 LBFGSLineSearch: 7 00:08:22 -61.086448 0.001901 LBFGSLineSearch: 8 00:08:23 -61.086449 0.004153 LBFGSLineSearch: 9 00:08:24 -61.086449 0.001329 LBFGSLineSearch: 10 00:08:25 -61.086449 0.000425 LBFGSLineSearch: 11 00:08:27 -61.086449 0.000394 LBFGSLineSearch: 12 00:08:29 -61.086449 0.000128 LBFGSLineSearch: 13 00:08:31 -61.086449 0.000311 LBFGSLineSearch: 14 00:08:33 -61.086449 0.000069 LBFGSLineSearch: 15 00:08:34 -61.086449 0.000078 LBFGSLineSearch: 16 00:08:35 -61.086449 0.000064 LBFGSLineSearch: 17 00:08:35 -61.086449 0.000027 LBFGSLineSearch: 18 00:08:36 -61.086449 0.000024 LBFGSLineSearch: 19 00:08:36 -61.086449 0.000002 Minimization converged after 19 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:08:45 -60.939313 0.010510 LBFGSLineSearch: 1 00:08:46 -60.939315 0.015047 LBFGSLineSearch: 2 00:08:46 -60.939319 0.028299 LBFGSLineSearch: 3 00:08:48 -60.939321 0.011187 LBFGSLineSearch: 4 00:08:50 -60.939321 0.001700 LBFGSLineSearch: 5 00:08:50 -60.939321 0.004200 LBFGSLineSearch: 6 00:08:51 -60.939322 0.002093 LBFGSLineSearch: 7 00:08:52 -60.939322 0.002122 LBFGSLineSearch: 8 00:08:55 -60.939323 0.004917 LBFGSLineSearch: 9 00:08:57 -60.939324 0.001594 LBFGSLineSearch: 10 00:09:00 -60.939324 0.000463 LBFGSLineSearch: 11 00:09:01 -60.939324 0.000433 LBFGSLineSearch: 12 00:09:02 -60.939324 0.000128 LBFGSLineSearch: 13 00:09:03 -60.939324 0.000320 LBFGSLineSearch: 14 00:09:06 -60.939324 0.000131 LBFGSLineSearch: 15 00:09:07 -60.939324 0.000090 LBFGSLineSearch: 16 00:09:08 -60.939324 0.000066 LBFGSLineSearch: 17 00:09:09 -60.939324 0.000045 LBFGSLineSearch: 18 00:09:10 -60.939324 0.000023 LBFGSLineSearch: 19 00:09:11 -60.939324 0.000030 LBFGSLineSearch: 20 00:09:12 -60.939324 0.000000 Minimization converged after 20 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:09:19 -60.774193 0.011795 LBFGSLineSearch: 1 00:09:20 -60.774196 0.016937 LBFGSLineSearch: 2 00:09:21 -60.774202 0.031466 LBFGSLineSearch: 3 00:09:21 -60.774204 0.012498 LBFGSLineSearch: 4 00:09:22 -60.774204 0.001880 LBFGSLineSearch: 5 00:09:24 -60.774204 0.004002 LBFGSLineSearch: 6 00:09:25 -60.774205 0.002275 LBFGSLineSearch: 7 00:09:26 -60.774205 0.002362 LBFGSLineSearch: 8 00:09:27 -60.774206 0.005846 LBFGSLineSearch: 9 00:09:28 -60.774207 0.001946 LBFGSLineSearch: 10 00:09:30 -60.774207 0.000498 LBFGSLineSearch: 11 00:09:30 -60.774207 0.000473 LBFGSLineSearch: 12 00:09:31 -60.774207 0.000182 LBFGSLineSearch: 13 00:09:32 -60.774207 0.000161 LBFGSLineSearch: 14 00:09:32 -60.774207 0.000153 LBFGSLineSearch: 15 00:09:33 -60.774207 0.000075 LBFGSLineSearch: 16 00:09:35 -60.774207 0.000104 LBFGSLineSearch: 17 00:09:35 -60.774207 0.000070 LBFGSLineSearch: 18 00:09:36 -60.774207 0.000043 LBFGSLineSearch: 19 00:09:37 -60.774207 0.000027 LBFGSLineSearch: 20 00:09:38 -60.774207 0.000036 LBFGSLineSearch: 21 00:09:39 -60.774207 0.000000 Minimization converged after 21 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:09:46 -60.588885 0.013237 LBFGSLineSearch: 1 00:09:47 -60.588889 0.019015 LBFGSLineSearch: 2 00:09:48 -60.588896 0.035044 LBFGSLineSearch: 3 00:09:49 -60.588899 0.013871 LBFGSLineSearch: 4 00:09:50 -60.588899 0.002152 LBFGSLineSearch: 5 00:09:51 -60.588899 0.004372 LBFGSLineSearch: 6 00:09:52 -60.588900 0.002563 LBFGSLineSearch: 7 00:09:52 -60.588901 0.002630 LBFGSLineSearch: 8 00:09:53 -60.588902 0.006886 LBFGSLineSearch: 9 00:09:54 -60.588903 0.002365 LBFGSLineSearch: 10 00:09:55 -60.588903 0.000532 LBFGSLineSearch: 11 00:09:57 -60.588903 0.000570 LBFGSLineSearch: 12 00:09:57 -60.588903 0.000254 LBFGSLineSearch: 13 00:09:58 -60.588903 0.000353 LBFGSLineSearch: 14 00:09:58 -60.588903 0.000184 LBFGSLineSearch: 15 00:09:59 -60.588903 0.000179 LBFGSLineSearch: 16 00:09:59 -60.588903 0.000087 LBFGSLineSearch: 17 00:10:00 -60.588903 0.000065 LBFGSLineSearch: 18 00:10:01 -60.588903 0.000050 LBFGSLineSearch: 19 00:10:02 -60.588903 0.000033 LBFGSLineSearch: 20 00:10:03 -60.588903 0.000044 LBFGSLineSearch: 21 00:10:03 -60.588903 0.000000 Minimization converged after 21 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:10:11 -60.380926 0.014856 LBFGSLineSearch: 1 00:10:11 -60.380930 0.021350 LBFGSLineSearch: 2 00:10:12 -60.380939 0.038968 LBFGSLineSearch: 3 00:10:12 -60.380942 0.015322 LBFGSLineSearch: 4 00:10:12 -60.380943 0.002545 LBFGSLineSearch: 5 00:10:14 -60.380943 0.004770 LBFGSLineSearch: 6 00:10:16 -60.380944 0.002881 LBFGSLineSearch: 7 00:10:18 -60.380945 0.002940 LBFGSLineSearch: 8 00:10:19 -60.380947 0.008005 LBFGSLineSearch: 9 00:10:19 -60.380947 0.002855 LBFGSLineSearch: 10 00:10:20 -60.380947 0.000570 LBFGSLineSearch: 11 00:10:21 -60.380948 0.000628 LBFGSLineSearch: 12 00:10:21 -60.380948 0.000238 LBFGSLineSearch: 13 00:10:22 -60.380948 0.000456 LBFGSLineSearch: 14 00:10:23 -60.380948 0.000307 LBFGSLineSearch: 15 00:10:23 -60.380948 0.000143 LBFGSLineSearch: 16 00:10:24 -60.380948 0.000085 LBFGSLineSearch: 17 00:10:26 -60.380948 0.000033 LBFGSLineSearch: 18 00:10:29 -60.380948 0.000038 LBFGSLineSearch: 19 00:10:31 -60.380948 0.000016 LBFGSLineSearch: 20 00:10:32 -60.380948 0.000000 Minimization converged after 20 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:10:40 -60.147550 0.016671 LBFGSLineSearch: 1 00:10:40 -60.147555 0.023972 LBFGSLineSearch: 2 00:10:41 -60.147568 0.043188 LBFGSLineSearch: 3 00:10:41 -60.147571 0.016868 LBFGSLineSearch: 4 00:10:42 -60.147572 0.003020 LBFGSLineSearch: 5 00:10:42 -60.147572 0.005186 LBFGSLineSearch: 6 00:10:43 -60.147573 0.003236 LBFGSLineSearch: 7 00:10:44 -60.147574 0.003291 LBFGSLineSearch: 8 00:10:45 -60.147577 0.009218 LBFGSLineSearch: 9 00:10:45 -60.147578 0.003406 LBFGSLineSearch: 10 00:10:46 -60.147578 0.000606 LBFGSLineSearch: 11 00:10:47 -60.147578 0.000684 LBFGSLineSearch: 12 00:10:48 -60.147578 0.000230 LBFGSLineSearch: 13 00:10:49 -60.147578 0.000446 LBFGSLineSearch: 14 00:10:51 -60.147578 0.000510 LBFGSLineSearch: 15 00:10:52 -60.147578 0.000120 LBFGSLineSearch: 16 00:10:52 -60.147578 0.000126 LBFGSLineSearch: 17 00:10:53 -60.147578 0.000071 LBFGSLineSearch: 18 00:10:53 -60.147578 0.000050 LBFGSLineSearch: 19 00:10:54 -60.147578 0.000059 LBFGSLineSearch: 20 00:10:55 -60.147578 0.000058 LBFGSLineSearch: 21 00:10:55 -60.147578 0.000000 Minimization converged after 21 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:11:05 -59.885660 0.018708 LBFGSLineSearch: 1 00:11:07 -59.885667 0.026917 LBFGSLineSearch: 2 00:11:09 -59.885681 0.055636 LBFGSLineSearch: 3 00:11:10 -59.885687 0.015088 LBFGSLineSearch: 4 00:11:11 -59.885688 0.003927 LBFGSLineSearch: 5 00:11:13 -59.885688 0.005306 LBFGSLineSearch: 6 00:11:15 -59.885689 0.004216 LBFGSLineSearch: 7 00:11:17 -59.885691 0.004388 LBFGSLineSearch: 8 00:11:18 -59.885692 0.003727 LBFGSLineSearch: 9 00:11:19 -59.885695 0.000848 LBFGSLineSearch: 10 00:11:20 -59.885695 0.000574 LBFGSLineSearch: 11 00:11:21 -59.885695 0.000321 LBFGSLineSearch: 12 00:11:22 -59.885695 0.000255 LBFGSLineSearch: 13 00:11:22 -59.885695 0.000256 LBFGSLineSearch: 14 00:11:23 -59.885695 0.000145 LBFGSLineSearch: 15 00:11:24 -59.885695 0.000090 LBFGSLineSearch: 16 00:11:24 -59.885695 0.000116 LBFGSLineSearch: 17 00:11:25 -59.885695 0.000083 LBFGSLineSearch: 18 00:11:27 -59.885695 0.000056 LBFGSLineSearch: 19 00:11:29 -59.885695 0.000040 LBFGSLineSearch: 20 00:11:31 -59.885695 0.000038 LBFGSLineSearch: 21 00:11:33 -59.885695 0.000000 Minimization converged after 21 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:11:42 -59.591781 0.020994 LBFGSLineSearch: 1 00:11:42 -59.591789 0.030226 LBFGSLineSearch: 2 00:11:43 -59.591806 0.067030 LBFGSLineSearch: 3 00:11:44 -59.591815 0.013343 LBFGSLineSearch: 4 00:11:45 -59.591815 0.004941 LBFGSLineSearch: 5 00:11:45 -59.591816 0.005290 LBFGSLineSearch: 6 00:11:46 -59.591817 0.004326 LBFGSLineSearch: 7 00:11:47 -59.591819 0.003848 LBFGSLineSearch: 8 00:11:49 -59.591821 0.004312 LBFGSLineSearch: 9 00:11:52 -59.591824 0.002373 LBFGSLineSearch: 10 00:11:54 -59.591825 0.000663 LBFGSLineSearch: 11 00:11:56 -59.591825 0.000381 LBFGSLineSearch: 12 00:11:57 -59.591825 0.000320 LBFGSLineSearch: 13 00:11:59 -59.591825 0.000261 LBFGSLineSearch: 14 00:12:01 -59.591825 0.000529 LBFGSLineSearch: 15 00:12:02 -59.591825 0.000220 LBFGSLineSearch: 16 00:12:02 -59.591825 0.000131 LBFGSLineSearch: 17 00:12:03 -59.591825 0.000087 LBFGSLineSearch: 18 00:12:03 -59.591825 0.000082 LBFGSLineSearch: 19 00:12:04 -59.591825 0.000060 LBFGSLineSearch: 20 00:12:04 -59.591825 0.000041 LBFGSLineSearch: 21 00:12:05 -59.591825 0.000008 Minimization converged after 21 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:12:14 -59.262016 0.023559 LBFGSLineSearch: 1 00:12:15 -59.262026 0.033939 LBFGSLineSearch: 2 00:12:16 -59.262047 0.075175 LBFGSLineSearch: 3 00:12:18 -59.262059 0.015106 LBFGSLineSearch: 4 00:12:19 -59.262059 0.005543 LBFGSLineSearch: 5 00:12:21 -59.262059 0.005831 LBFGSLineSearch: 6 00:12:23 -59.262061 0.004648 LBFGSLineSearch: 7 00:12:25 -59.262064 0.004374 LBFGSLineSearch: 8 00:12:25 -59.262067 0.005158 LBFGSLineSearch: 9 00:12:27 -59.262070 0.002474 LBFGSLineSearch: 10 00:12:27 -59.262071 0.000659 LBFGSLineSearch: 11 00:12:28 -59.262071 0.000427 LBFGSLineSearch: 12 00:12:28 -59.262071 0.000353 LBFGSLineSearch: 13 00:12:29 -59.262071 0.000288 LBFGSLineSearch: 14 00:12:31 -59.262071 0.000570 LBFGSLineSearch: 15 00:12:32 -59.262071 0.000166 LBFGSLineSearch: 16 00:12:32 -59.262071 0.000198 LBFGSLineSearch: 17 00:12:33 -59.262071 0.000104 LBFGSLineSearch: 18 00:12:34 -59.262071 0.000093 LBFGSLineSearch: 19 00:12:36 -59.262071 0.000056 LBFGSLineSearch: 20 00:12:36 -59.262071 0.000053 LBFGSLineSearch: 21 00:12:37 -59.262071 0.000040 LBFGSLineSearch: 22 00:12:38 -59.262071 0.000000 Minimization converged after 22 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:12:46 -58.891997 0.026434 LBFGSLineSearch: 1 00:12:47 -58.892009 0.038116 LBFGSLineSearch: 2 00:12:48 -58.892038 0.079316 LBFGSLineSearch: 3 00:12:49 -58.892050 0.020767 LBFGSLineSearch: 4 00:12:49 -58.892051 0.006712 LBFGSLineSearch: 5 00:12:50 -58.892051 0.006228 LBFGSLineSearch: 6 00:12:52 -58.892054 0.005105 LBFGSLineSearch: 7 00:12:53 -58.892057 0.003976 LBFGSLineSearch: 8 00:12:54 -58.892059 0.004784 LBFGSLineSearch: 9 00:12:55 -58.892066 0.002166 LBFGSLineSearch: 10 00:12:56 -58.892066 0.000606 LBFGSLineSearch: 11 00:12:56 -58.892066 0.000555 LBFGSLineSearch: 12 00:12:57 -58.892066 0.000287 LBFGSLineSearch: 13 00:12:58 -58.892066 0.000241 LBFGSLineSearch: 14 00:13:00 -58.892066 0.000378 LBFGSLineSearch: 15 00:13:02 -58.892066 0.000566 LBFGSLineSearch: 16 00:13:03 -58.892066 0.000149 LBFGSLineSearch: 17 00:13:03 -58.892066 0.000060 LBFGSLineSearch: 18 00:13:04 -58.892066 0.000264 LBFGSLineSearch: 19 00:13:05 -58.892066 0.000009 Minimization converged after 19 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:13:15 -58.476828 0.029667 LBFGSLineSearch: 1 00:13:15 -58.476844 0.042723 LBFGSLineSearch: 2 00:13:16 -58.476881 0.081308 LBFGSLineSearch: 3 00:13:16 -58.476895 0.024264 LBFGSLineSearch: 4 00:13:17 -58.476897 0.008830 LBFGSLineSearch: 5 00:13:18 -58.476897 0.007427 LBFGSLineSearch: 6 00:13:20 -58.476899 0.005328 LBFGSLineSearch: 7 00:13:23 -58.476903 0.005133 LBFGSLineSearch: 8 00:13:25 -58.476906 0.005678 LBFGSLineSearch: 9 00:13:27 -58.476914 0.001640 LBFGSLineSearch: 10 00:13:29 -58.476915 0.000692 LBFGSLineSearch: 11 00:13:29 -58.476915 0.000496 LBFGSLineSearch: 12 00:13:30 -58.476915 0.000330 LBFGSLineSearch: 13 00:13:31 -58.476915 0.000266 LBFGSLineSearch: 14 00:13:31 -58.476915 0.000142 LBFGSLineSearch: 15 00:13:31 -58.476915 0.000224 LBFGSLineSearch: 16 00:13:32 -58.476915 0.000130 LBFGSLineSearch: 17 00:13:32 -58.476915 0.000107 LBFGSLineSearch: 18 00:13:33 -58.476915 0.000063 LBFGSLineSearch: 19 00:13:34 -58.476915 0.000060 LBFGSLineSearch: 20 00:13:34 -58.476915 0.000000 Minimization converged after 20 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:13:43 -58.011023 0.033278 LBFGSLineSearch: 1 00:13:44 -58.011043 0.046442 LBFGSLineSearch: 2 00:13:45 -58.011096 0.072848 LBFGSLineSearch: 3 00:13:46 -58.011108 0.019158 LBFGSLineSearch: 4 00:13:47 -58.011109 0.010132 LBFGSLineSearch: 5 00:13:49 -58.011109 0.009421 LBFGSLineSearch: 6 00:13:50 -58.011113 0.006902 LBFGSLineSearch: 7 00:13:51 -58.011119 0.007439 LBFGSLineSearch: 8 00:13:53 -58.011125 0.012714 LBFGSLineSearch: 9 00:13:54 -58.011130 0.011582 LBFGSLineSearch: 10 00:13:55 -58.011132 0.002210 LBFGSLineSearch: 11 00:13:56 -58.011133 0.000646 LBFGSLineSearch: 12 00:13:58 -58.011133 0.000918 LBFGSLineSearch: 13 00:14:00 -58.011133 0.000613 LBFGSLineSearch: 14 00:14:01 -58.011133 0.001506 LBFGSLineSearch: 15 00:14:03 -58.011133 0.000298 LBFGSLineSearch: 16 00:14:03 -58.011133 0.000201 LBFGSLineSearch: 17 00:14:04 -58.011133 0.000162 LBFGSLineSearch: 18 00:14:05 -58.011133 0.000091 LBFGSLineSearch: 19 00:14:06 -58.011133 0.000078 LBFGSLineSearch: 20 00:14:08 -58.011133 0.000059 LBFGSLineSearch: 21 00:14:08 -58.011133 0.000002 Minimization converged after 21 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:14:17 -57.488433 0.037337 LBFGSLineSearch: 1 00:14:17 -57.488458 0.050554 LBFGSLineSearch: 2 00:14:18 -57.488532 0.053932 LBFGSLineSearch: 3 00:14:18 -57.488541 0.012196 LBFGSLineSearch: 4 00:14:19 -57.488542 0.006430 LBFGSLineSearch: 5 00:14:20 -57.488545 0.006897 LBFGSLineSearch: 6 00:14:21 -57.488546 0.007722 LBFGSLineSearch: 7 00:14:22 -57.488550 0.006230 LBFGSLineSearch: 8 00:14:23 -57.488555 0.007756 LBFGSLineSearch: 9 00:14:23 -57.488563 0.010885 LBFGSLineSearch: 10 00:14:24 -57.488571 0.001485 LBFGSLineSearch: 11 00:14:25 -57.488571 0.002556 LBFGSLineSearch: 12 00:14:27 -57.488571 0.001664 LBFGSLineSearch: 13 00:14:27 -57.488571 0.000488 LBFGSLineSearch: 14 00:14:28 -57.488571 0.000247 LBFGSLineSearch: 15 00:14:29 -57.488571 0.000165 LBFGSLineSearch: 16 00:14:30 -57.488571 0.000201 LBFGSLineSearch: 17 00:14:31 -57.488571 0.000139 LBFGSLineSearch: 18 00:14:31 -57.488572 0.000082 LBFGSLineSearch: 19 00:14:32 -57.488572 0.000083 LBFGSLineSearch: 20 00:14:33 -57.488572 0.000097 LBFGSLineSearch: 21 00:14:34 -57.488572 0.000007 Minimization converged after 21 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:14:42 -56.902172 0.041892 LBFGSLineSearch: 1 00:14:43 -56.902203 0.055503 LBFGSLineSearch: 2 00:14:44 -56.902300 0.063956 LBFGSLineSearch: 3 00:14:45 -56.902308 0.017772 LBFGSLineSearch: 4 00:14:46 -56.902308 0.007803 LBFGSLineSearch: 5 00:14:47 -56.902309 0.015609 LBFGSLineSearch: 6 00:14:48 -56.902314 0.007729 LBFGSLineSearch: 7 00:14:49 -56.902324 0.008563 LBFGSLineSearch: 8 00:14:49 -56.902334 0.008663 LBFGSLineSearch: 9 00:14:50 -56.902345 0.004628 LBFGSLineSearch: 10 00:14:51 -56.902345 0.001386 LBFGSLineSearch: 11 00:14:51 -56.902346 0.000846 LBFGSLineSearch: 12 00:14:52 -56.902346 0.000929 LBFGSLineSearch: 13 00:14:53 -56.902346 0.000642 LBFGSLineSearch: 14 00:14:54 -56.902346 0.000637 LBFGSLineSearch: 15 00:14:54 -56.902346 0.000440 LBFGSLineSearch: 16 00:14:55 -56.902346 0.000232 LBFGSLineSearch: 17 00:14:56 -56.902346 0.000237 LBFGSLineSearch: 18 00:14:56 -56.902346 0.000166 LBFGSLineSearch: 19 00:14:57 -56.902346 0.000149 LBFGSLineSearch: 20 00:14:58 -56.902346 0.000121 LBFGSLineSearch: 21 00:15:00 -56.902346 0.000111 LBFGSLineSearch: 22 00:15:01 -56.902346 0.000032 LBFGSLineSearch: 23 00:15:03 -56.902346 0.000000 Minimization converged after 23 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:15:12 -56.244526 0.046987 LBFGSLineSearch: 1 00:15:13 -56.244564 0.063093 LBFGSLineSearch: 2 00:15:14 -56.244687 0.076006 LBFGSLineSearch: 3 00:15:15 -56.244696 0.018590 LBFGSLineSearch: 4 00:15:17 -56.244697 0.009131 LBFGSLineSearch: 5 00:15:19 -56.244698 0.019321 LBFGSLineSearch: 6 00:15:20 -56.244704 0.008824 LBFGSLineSearch: 7 00:15:21 -56.244717 0.009564 LBFGSLineSearch: 8 00:15:21 -56.244727 0.009777 LBFGSLineSearch: 9 00:15:22 -56.244744 0.002363 LBFGSLineSearch: 10 00:15:23 -56.244744 0.002795 LBFGSLineSearch: 11 00:15:23 -56.244744 0.002242 LBFGSLineSearch: 12 00:15:24 -56.244745 0.000976 LBFGSLineSearch: 13 00:15:25 -56.244745 0.000505 LBFGSLineSearch: 14 00:15:26 -56.244745 0.000869 LBFGSLineSearch: 15 00:15:27 -56.244745 0.000809 LBFGSLineSearch: 16 00:15:28 -56.244745 0.000141 LBFGSLineSearch: 17 00:15:29 -56.244745 0.000360 LBFGSLineSearch: 18 00:15:29 -56.244745 0.000186 LBFGSLineSearch: 19 00:15:30 -56.244745 0.000177 LBFGSLineSearch: 20 00:15:31 -56.244745 0.000012 LBFGSLineSearch: 21 00:15:32 -56.244745 0.000000 Minimization converged after 21 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:15:41 -55.506858 0.052706 LBFGSLineSearch: 1 00:15:43 -55.506906 0.072325 LBFGSLineSearch: 2 00:15:45 -55.507060 0.088388 LBFGSLineSearch: 3 00:15:45 -55.507073 0.022762 LBFGSLineSearch: 4 00:15:46 -55.507074 0.010364 LBFGSLineSearch: 5 00:15:48 -55.507075 0.022578 LBFGSLineSearch: 6 00:15:49 -55.507083 0.009997 LBFGSLineSearch: 7 00:15:49 -55.507099 0.010822 LBFGSLineSearch: 8 00:15:49 -55.507111 0.010135 LBFGSLineSearch: 9 00:15:50 -55.507133 0.002977 LBFGSLineSearch: 10 00:15:51 -55.507133 0.002841 LBFGSLineSearch: 11 00:15:51 -55.507134 0.002360 LBFGSLineSearch: 12 00:15:52 -55.507134 0.000977 LBFGSLineSearch: 13 00:15:52 -55.507134 0.000704 LBFGSLineSearch: 14 00:15:53 -55.507134 0.000781 LBFGSLineSearch: 15 00:15:54 -55.507134 0.001138 LBFGSLineSearch: 16 00:15:55 -55.507134 0.000496 LBFGSLineSearch: 17 00:15:55 -55.507134 0.000311 LBFGSLineSearch: 18 00:15:56 -55.507134 0.000083 LBFGSLineSearch: 19 00:15:57 -55.507134 0.000096 LBFGSLineSearch: 20 00:15:58 -55.507134 0.000012 LBFGSLineSearch: 21 00:15:59 -55.507134 0.000000 Minimization converged after 21 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:16:06 -54.679504 0.059116 LBFGSLineSearch: 1 00:16:08 -54.679561 0.083091 LBFGSLineSearch: 2 00:16:11 -54.679758 0.103105 LBFGSLineSearch: 3 00:16:12 -54.679774 0.029594 LBFGSLineSearch: 4 00:16:12 -54.679776 0.011571 LBFGSLineSearch: 5 00:16:13 -54.679778 0.026947 LBFGSLineSearch: 6 00:16:14 -54.679787 0.011334 LBFGSLineSearch: 7 00:16:15 -54.679808 0.012432 LBFGSLineSearch: 8 00:16:15 -54.679822 0.011506 LBFGSLineSearch: 9 00:16:16 -54.679850 0.003639 LBFGSLineSearch: 10 00:16:16 -54.679851 0.002534 LBFGSLineSearch: 11 00:16:17 -54.679851 0.001950 LBFGSLineSearch: 12 00:16:17 -54.679851 0.000805 LBFGSLineSearch: 13 00:16:17 -54.679852 0.000857 LBFGSLineSearch: 14 00:16:18 -54.679852 0.000331 LBFGSLineSearch: 15 00:16:19 -54.679852 0.000313 LBFGSLineSearch: 16 00:16:19 -54.679852 0.000273 LBFGSLineSearch: 17 00:16:20 -54.679852 0.000134 LBFGSLineSearch: 18 00:16:20 -54.679852 0.000148 LBFGSLineSearch: 19 00:16:21 -54.679852 0.000121 LBFGSLineSearch: 20 00:16:22 -54.679852 0.000094 LBFGSLineSearch: 21 00:16:22 -54.679852 0.000031 LBFGSLineSearch: 22 00:16:23 -54.679852 0.000002 Minimization converged after 22 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:16:32 -53.751650 0.066302 LBFGSLineSearch: 1 00:16:32 -53.751720 0.095627 LBFGSLineSearch: 2 00:16:33 -53.751966 0.100554 LBFGSLineSearch: 3 00:16:35 -53.751990 0.050990 LBFGSLineSearch: 4 00:16:36 -53.751994 0.013661 LBFGSLineSearch: 5 00:16:37 -53.752004 0.019890 LBFGSLineSearch: 6 00:16:38 -53.752006 0.016141 LBFGSLineSearch: 7 00:16:39 -53.752021 0.022221 LBFGSLineSearch: 8 00:16:40 -53.752045 0.012640 LBFGSLineSearch: 9 00:16:40 -53.752079 0.005703 LBFGSLineSearch: 10 00:16:41 -53.752088 0.002116 LBFGSLineSearch: 11 00:16:41 -53.752088 0.001147 LBFGSLineSearch: 12 00:16:42 -53.752088 0.002003 LBFGSLineSearch: 13 00:16:42 -53.752089 0.000861 LBFGSLineSearch: 14 00:16:43 -53.752089 0.000237 LBFGSLineSearch: 15 00:16:43 -53.752089 0.000776 LBFGSLineSearch: 16 00:16:44 -53.752089 0.000356 LBFGSLineSearch: 17 00:16:44 -53.752089 0.000576 LBFGSLineSearch: 18 00:16:44 -53.752089 0.000037 LBFGSLineSearch: 19 00:16:45 -53.752089 0.000002 Minimization converged after 19 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:16:52 -52.711204 0.074349 LBFGSLineSearch: 1 00:16:52 -52.711292 0.110214 LBFGSLineSearch: 2 00:16:53 -52.711563 0.136092 LBFGSLineSearch: 3 00:16:54 -52.711636 0.038339 LBFGSLineSearch: 4 00:16:54 -52.711640 0.020759 LBFGSLineSearch: 5 00:16:55 -52.711641 0.033873 LBFGSLineSearch: 6 00:16:57 -52.711656 0.023086 LBFGSLineSearch: 7 00:16:58 -52.711682 0.039885 LBFGSLineSearch: 8 00:16:59 -52.711702 0.021147 LBFGSLineSearch: 9 00:17:01 -52.711749 0.010307 LBFGSLineSearch: 10 00:17:02 -52.711758 0.003007 LBFGSLineSearch: 11 00:17:02 -52.711758 0.002536 LBFGSLineSearch: 12 00:17:02 -52.711759 0.001824 LBFGSLineSearch: 13 00:17:03 -52.711759 0.001054 LBFGSLineSearch: 14 00:17:03 -52.711759 0.000769 LBFGSLineSearch: 15 00:17:03 -52.711759 0.000352 LBFGSLineSearch: 16 00:17:04 -52.711759 0.000400 LBFGSLineSearch: 17 00:17:04 -52.711759 0.000482 LBFGSLineSearch: 18 00:17:04 -52.711759 0.000181 LBFGSLineSearch: 19 00:17:04 -52.711759 0.000149 LBFGSLineSearch: 20 00:17:04 -52.711759 0.000275 LBFGSLineSearch: 21 00:17:04 -52.711759 0.000061 LBFGSLineSearch: 22 00:17:04 -52.711759 0.000015 LBFGSLineSearch: 23 00:17:05 -52.711759 0.000001 Minimization converged after 23 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:17:12 -51.544653 0.083365 LBFGSLineSearch: 1 00:17:13 -51.544764 0.127287 LBFGSLineSearch: 2 00:17:13 -51.545036 0.179468 LBFGSLineSearch: 3 00:17:14 -51.545171 0.104338 LBFGSLineSearch: 4 00:17:15 -51.545201 0.053115 LBFGSLineSearch: 5 00:17:15 -51.545204 0.036515 LBFGSLineSearch: 6 00:17:17 -51.545222 0.043652 LBFGSLineSearch: 7 00:17:17 -51.545241 0.044904 LBFGSLineSearch: 8 00:17:18 -51.545277 0.030286 LBFGSLineSearch: 9 00:17:20 -51.545310 0.050647 LBFGSLineSearch: 10 00:17:23 -51.545353 0.004293 LBFGSLineSearch: 11 00:17:26 -51.545354 0.004432 LBFGSLineSearch: 12 00:17:26 -51.545355 0.002369 LBFGSLineSearch: 13 00:17:27 -51.545355 0.001368 LBFGSLineSearch: 14 00:17:28 -51.545356 0.001078 LBFGSLineSearch: 15 00:17:28 -51.545356 0.000609 LBFGSLineSearch: 16 00:17:29 -51.545356 0.000472 LBFGSLineSearch: 17 00:17:29 -51.545356 0.000626 LBFGSLineSearch: 18 00:17:30 -51.545356 0.000236 LBFGSLineSearch: 19 00:17:31 -51.545356 0.000186 LBFGSLineSearch: 20 00:17:31 -51.545356 0.000156 LBFGSLineSearch: 21 00:17:32 -51.545356 0.000187 LBFGSLineSearch: 22 00:17:32 -51.545356 0.000108 LBFGSLineSearch: 23 00:17:32 -51.545356 0.000011 LBFGSLineSearch: 24 00:17:33 -51.545356 0.000000 Minimization converged after 24 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:17:40 -50.236903 0.093461 LBFGSLineSearch: 1 00:17:41 -50.237047 0.147221 LBFGSLineSearch: 2 00:17:42 -50.237313 0.224705 LBFGSLineSearch: 3 00:17:42 -50.237425 0.149794 LBFGSLineSearch: 4 00:17:44 -50.237570 0.105052 LBFGSLineSearch: 5 00:17:45 -50.237595 0.065865 LBFGSLineSearch: 6 00:17:46 -50.237620 0.053918 LBFGSLineSearch: 7 00:17:46 -50.237638 0.033554 LBFGSLineSearch: 8 00:17:47 -50.237676 0.065510 LBFGSLineSearch: 9 00:17:47 -50.237718 0.049093 LBFGSLineSearch: 10 00:17:48 -50.237778 0.077100 LBFGSLineSearch: 11 00:17:50 -50.237791 0.018199 LBFGSLineSearch: 12 00:17:51 -50.237792 0.002834 LBFGSLineSearch: 13 00:17:53 -50.237793 0.006770 LBFGSLineSearch: 14 00:17:55 -50.237794 0.006412 LBFGSLineSearch: 15 00:17:56 -50.237795 0.001291 LBFGSLineSearch: 16 00:17:57 -50.237795 0.002605 LBFGSLineSearch: 17 00:17:58 -50.237795 0.001188 LBFGSLineSearch: 18 00:17:59 -50.237795 0.000703 LBFGSLineSearch: 19 00:18:00 -50.237795 0.000287 LBFGSLineSearch: 20 00:18:01 -50.237795 0.000292 LBFGSLineSearch: 21 00:18:02 -50.237795 0.000281 LBFGSLineSearch: 22 00:18:04 -50.237795 0.000484 LBFGSLineSearch: 23 00:18:05 -50.237795 0.000013 LBFGSLineSearch: 24 00:18:06 -50.237795 0.000001 Minimization converged after 24 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:18:15 -48.771111 0.104763 LBFGSLineSearch: 1 00:18:15 -48.771306 0.170563 LBFGSLineSearch: 2 00:18:16 -48.771550 0.263992 LBFGSLineSearch: 3 00:18:16 -48.771764 0.128910 LBFGSLineSearch: 4 00:18:17 -48.771951 0.112213 LBFGSLineSearch: 5 00:18:18 -48.771993 0.054078 LBFGSLineSearch: 6 00:18:19 -48.772027 0.024926 LBFGSLineSearch: 7 00:18:19 -48.772049 0.022277 LBFGSLineSearch: 8 00:18:20 -48.772090 0.031733 LBFGSLineSearch: 9 00:18:20 -48.772142 0.021384 LBFGSLineSearch: 10 00:18:21 -48.772215 0.063306 LBFGSLineSearch: 11 00:18:21 -48.772240 0.016373 LBFGSLineSearch: 12 00:18:23 -48.772243 0.003335 LBFGSLineSearch: 13 00:18:24 -48.772244 0.003304 LBFGSLineSearch: 14 00:18:24 -48.772245 0.002662 LBFGSLineSearch: 15 00:18:26 -48.772245 0.002934 LBFGSLineSearch: 16 00:18:29 -48.772246 0.002741 LBFGSLineSearch: 17 00:18:29 -48.772247 0.002615 LBFGSLineSearch: 18 00:18:30 -48.772247 0.001756 LBFGSLineSearch: 19 00:18:31 -48.772247 0.000438 LBFGSLineSearch: 20 00:18:33 -48.772247 0.000258 LBFGSLineSearch: 21 00:18:34 -48.772247 0.000199 LBFGSLineSearch: 22 00:18:34 -48.772247 0.000211 LBFGSLineSearch: 23 00:18:35 -48.772247 0.000023 LBFGSLineSearch: 24 00:18:36 -48.772247 0.000003 Minimization converged after 24 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:18:45 -47.128506 0.117410 LBFGSLineSearch: 1 00:18:45 -47.128785 0.198052 LBFGSLineSearch: 2 00:18:46 -47.129067 0.272427 LBFGSLineSearch: 3 00:18:48 -47.129412 0.118093 LBFGSLineSearch: 4 00:18:50 -47.129443 0.144786 LBFGSLineSearch: 5 00:18:53 -47.129654 0.099801 LBFGSLineSearch: 6 00:18:56 -47.129706 0.027733 LBFGSLineSearch: 7 00:18:56 -47.129727 0.052521 LBFGSLineSearch: 8 00:18:57 -47.129760 0.042412 LBFGSLineSearch: 9 00:18:58 -47.129826 0.038916 LBFGSLineSearch: 10 00:18:59 -47.129889 0.029370 LBFGSLineSearch: 11 00:18:59 -47.129952 0.016809 LBFGSLineSearch: 12 00:19:00 -47.129963 0.011341 LBFGSLineSearch: 13 00:19:01 -47.129964 0.004129 LBFGSLineSearch: 14 00:19:01 -47.129965 0.008412 LBFGSLineSearch: 15 00:19:02 -47.129967 0.001412 LBFGSLineSearch: 16 00:19:02 -47.129968 0.002545 LBFGSLineSearch: 17 00:19:02 -47.129968 0.001254 LBFGSLineSearch: 18 00:19:03 -47.129968 0.001782 LBFGSLineSearch: 19 00:19:04 -47.129968 0.000458 LBFGSLineSearch: 20 00:19:06 -47.129968 0.000468 LBFGSLineSearch: 21 00:19:07 -47.129968 0.000374 LBFGSLineSearch: 22 00:19:07 -47.129968 0.000294 LBFGSLineSearch: 23 00:19:08 -47.129968 0.000635 LBFGSLineSearch: 24 00:19:09 -47.129968 0.000016 LBFGSLineSearch: 25 00:19:09 -47.129968 0.000000 Minimization converged after 25 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:19:18 -45.288235 0.131552 LBFGSLineSearch: 1 00:19:19 -45.288639 0.219029 LBFGSLineSearch: 2 00:19:19 -45.289145 0.317382 LBFGSLineSearch: 3 00:19:20 -45.289450 0.302200 LBFGSLineSearch: 4 00:19:21 -45.289795 0.076475 LBFGSLineSearch: 5 00:19:23 -45.289912 0.059708 LBFGSLineSearch: 6 00:19:25 -45.290009 0.075880 LBFGSLineSearch: 7 00:19:25 -45.290078 0.053735 LBFGSLineSearch: 8 00:19:27 -45.290124 0.041662 LBFGSLineSearch: 9 00:19:29 -45.290195 0.059439 LBFGSLineSearch: 10 00:19:30 -45.290278 0.024401 LBFGSLineSearch: 11 00:19:31 -45.290293 0.007999 LBFGSLineSearch: 12 00:19:32 -45.290298 0.006039 LBFGSLineSearch: 13 00:19:32 -45.290299 0.002686 LBFGSLineSearch: 14 00:19:33 -45.290302 0.005949 LBFGSLineSearch: 15 00:19:34 -45.290303 0.002175 LBFGSLineSearch: 16 00:19:34 -45.290303 0.005034 LBFGSLineSearch: 17 00:19:35 -45.290304 0.001820 LBFGSLineSearch: 18 00:19:35 -45.290304 0.002774 LBFGSLineSearch: 19 00:19:35 -45.290305 0.000632 LBFGSLineSearch: 20 00:19:36 -45.290305 0.000161 LBFGSLineSearch: 21 00:19:37 -45.290305 0.000066 LBFGSLineSearch: 22 00:19:37 -45.290305 0.000178 LBFGSLineSearch: 23 00:19:38 -45.290305 0.000001 Minimization converged after 23 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:19:47 -43.227836 0.147319 LBFGSLineSearch: 1 00:19:47 -43.228429 0.227378 LBFGSLineSearch: 2 00:19:48 -43.229381 0.364072 LBFGSLineSearch: 3 00:19:49 -43.229646 0.254888 LBFGSLineSearch: 4 00:19:50 -43.230073 0.044882 LBFGSLineSearch: 5 00:19:51 -43.230266 0.074627 LBFGSLineSearch: 6 00:19:52 -43.230391 0.051304 LBFGSLineSearch: 7 00:19:53 -43.230457 0.020362 LBFGSLineSearch: 8 00:19:53 -43.230539 0.023679 LBFGSLineSearch: 9 00:19:54 -43.230609 0.024868 LBFGSLineSearch: 10 00:19:54 -43.230652 0.013635 LBFGSLineSearch: 11 00:19:55 -43.230664 0.007048 LBFGSLineSearch: 12 00:19:55 -43.230669 0.006448 LBFGSLineSearch: 13 00:19:56 -43.230672 0.004917 LBFGSLineSearch: 14 00:19:56 -43.230675 0.003716 LBFGSLineSearch: 15 00:19:57 -43.230677 0.003806 LBFGSLineSearch: 16 00:19:57 -43.230678 0.003523 LBFGSLineSearch: 17 00:19:58 -43.230678 0.001929 LBFGSLineSearch: 18 00:19:58 -43.230679 0.001676 LBFGSLineSearch: 19 00:19:59 -43.230679 0.002913 LBFGSLineSearch: 20 00:20:00 -43.230680 0.003664 LBFGSLineSearch: 21 00:20:01 -43.230681 0.002029 LBFGSLineSearch: 22 00:20:02 -43.230681 0.000633 LBFGSLineSearch: 23 00:20:03 -43.230681 0.000297 LBFGSLineSearch: 24 00:20:03 -43.230681 0.000044 LBFGSLineSearch: 25 00:20:04 -43.230681 0.000017 LBFGSLineSearch: 26 00:20:05 -43.230681 0.000016 LBFGSLineSearch: 27 00:20:06 -43.230681 0.000011 LBFGSLineSearch: 28 00:20:07 -43.230681 0.000001 Minimization converged after 28 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:20:16 -40.922071 0.164901 LBFGSLineSearch: 1 00:20:16 -40.923511 0.319376 LBFGSLineSearch: 2 00:20:17 -40.925160 0.135883 LBFGSLineSearch: 3 00:20:18 -40.925381 0.205476 LBFGSLineSearch: 4 00:20:19 -40.925670 0.115229 LBFGSLineSearch: 5 00:20:19 -40.925899 0.030566 LBFGSLineSearch: 6 00:20:20 -40.926014 0.037991 LBFGSLineSearch: 7 00:20:20 -40.926076 0.040994 LBFGSLineSearch: 8 00:20:21 -40.926130 0.024663 LBFGSLineSearch: 9 00:20:21 -40.926179 0.018188 LBFGSLineSearch: 10 00:20:22 -40.926219 0.020960 LBFGSLineSearch: 11 00:20:22 -40.926270 0.025205 LBFGSLineSearch: 12 00:20:23 -40.926328 0.015503 LBFGSLineSearch: 13 00:20:24 -40.926346 0.012775 LBFGSLineSearch: 14 00:20:25 -40.926361 0.009783 LBFGSLineSearch: 15 00:20:27 -40.926370 0.002789 LBFGSLineSearch: 16 00:20:27 -40.926371 0.004664 LBFGSLineSearch: 17 00:20:28 -40.926372 0.001779 LBFGSLineSearch: 18 00:20:29 -40.926373 0.004454 LBFGSLineSearch: 19 00:20:30 -40.926375 0.002431 LBFGSLineSearch: 20 00:20:30 -40.926375 0.000507 LBFGSLineSearch: 21 00:20:31 -40.926375 0.000689 LBFGSLineSearch: 22 00:20:31 -40.926375 0.000399 LBFGSLineSearch: 23 00:20:32 -40.926375 0.000357 LBFGSLineSearch: 24 00:20:32 -40.926375 0.000112 LBFGSLineSearch: 25 00:20:33 -40.926375 0.000005 Minimization converged after 25 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:20:42 -38.344650 0.184411 LBFGSLineSearch: 1 00:20:42 -38.347578 0.263819 LBFGSLineSearch: 2 00:20:43 -38.349120 0.159483 LBFGSLineSearch: 3 00:20:44 -38.349254 0.043943 LBFGSLineSearch: 4 00:20:46 -38.349660 0.110042 LBFGSLineSearch: 5 00:20:47 -38.349803 0.037611 LBFGSLineSearch: 6 00:20:47 -38.349902 0.022936 LBFGSLineSearch: 7 00:20:49 -38.349969 0.020715 LBFGSLineSearch: 8 00:20:50 -38.350039 0.025613 LBFGSLineSearch: 9 00:20:51 -38.350066 0.013832 LBFGSLineSearch: 10 00:20:51 -38.350121 0.040279 LBFGSLineSearch: 11 00:20:52 -38.350154 0.008784 LBFGSLineSearch: 12 00:20:53 -38.350180 0.014538 LBFGSLineSearch: 13 00:20:53 -38.350192 0.009609 LBFGSLineSearch: 14 00:20:54 -38.350198 0.005177 LBFGSLineSearch: 15 00:20:55 -38.350203 0.005493 LBFGSLineSearch: 16 00:20:55 -38.350204 0.003246 LBFGSLineSearch: 17 00:20:56 -38.350205 0.001781 LBFGSLineSearch: 18 00:20:56 -38.350205 0.003711 LBFGSLineSearch: 19 00:20:57 -38.350207 0.001578 LBFGSLineSearch: 20 00:20:58 -38.350207 0.001535 LBFGSLineSearch: 21 00:20:58 -38.350207 0.001130 LBFGSLineSearch: 22 00:20:59 -38.350207 0.000407 LBFGSLineSearch: 23 00:20:59 -38.350208 0.000391 LBFGSLineSearch: 24 00:21:00 -38.350208 0.000359 LBFGSLineSearch: 25 00:21:02 -38.350208 0.000482 LBFGSLineSearch: 26 00:21:04 -38.350208 0.000366 LBFGSLineSearch: 27 00:21:04 -38.350208 0.000060 LBFGSLineSearch: 28 00:21:06 -38.350208 0.000002 Minimization converged after 28 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:21:16 -35.465137 0.206077 LBFGSLineSearch: 1 00:21:17 -35.469798 0.206061 LBFGSLineSearch: 2 00:21:17 -35.471400 0.103810 LBFGSLineSearch: 3 00:21:18 -35.471590 0.116628 LBFGSLineSearch: 4 00:21:18 -35.471898 0.102247 LBFGSLineSearch: 5 00:21:19 -35.472201 0.039751 LBFGSLineSearch: 6 00:21:20 -35.472340 0.043655 LBFGSLineSearch: 7 00:21:21 -35.472440 0.022776 LBFGSLineSearch: 8 00:21:22 -35.472515 0.021218 LBFGSLineSearch: 9 00:21:24 -35.472594 0.024536 LBFGSLineSearch: 10 00:21:26 -35.472645 0.059413 LBFGSLineSearch: 11 00:21:28 -35.472680 0.021109 LBFGSLineSearch: 12 00:21:30 -35.472705 0.009757 LBFGSLineSearch: 13 00:21:31 -35.472734 0.012907 LBFGSLineSearch: 14 00:21:32 -35.472751 0.016485 LBFGSLineSearch: 15 00:21:33 -35.472756 0.006274 LBFGSLineSearch: 16 00:21:34 -35.472757 0.002291 LBFGSLineSearch: 17 00:21:34 -35.472758 0.003416 LBFGSLineSearch: 18 00:21:35 -35.472759 0.002217 LBFGSLineSearch: 19 00:21:36 -35.472760 0.002300 LBFGSLineSearch: 20 00:21:36 -35.472760 0.000401 LBFGSLineSearch: 21 00:21:37 -35.472760 0.000206 LBFGSLineSearch: 22 00:21:37 -35.472760 0.000330 LBFGSLineSearch: 23 00:21:37 -35.472760 0.000231 LBFGSLineSearch: 24 00:21:39 -35.472760 0.000079 LBFGSLineSearch: 25 00:21:40 -35.472760 0.000005 Minimization converged after 25 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:21:48 -32.251577 0.230084 LBFGSLineSearch: 1 00:21:49 -32.258149 0.146912 LBFGSLineSearch: 2 00:21:50 -32.259656 0.085471 LBFGSLineSearch: 3 00:21:51 -32.260069 0.174589 LBFGSLineSearch: 4 00:21:52 -32.260450 0.058672 LBFGSLineSearch: 5 00:21:53 -32.260764 0.047495 LBFGSLineSearch: 6 00:21:53 -32.261048 0.022866 LBFGSLineSearch: 7 00:21:54 -32.261161 0.025924 LBFGSLineSearch: 8 00:21:55 -32.261304 0.021874 LBFGSLineSearch: 9 00:21:56 -32.261379 0.017464 LBFGSLineSearch: 10 00:21:57 -32.261435 0.012220 LBFGSLineSearch: 11 00:21:59 -32.261468 0.013526 LBFGSLineSearch: 12 00:22:00 -32.261512 0.018341 LBFGSLineSearch: 13 00:22:00 -32.261544 0.011922 LBFGSLineSearch: 14 00:22:01 -32.261561 0.012783 LBFGSLineSearch: 15 00:22:02 -32.261568 0.004775 LBFGSLineSearch: 16 00:22:04 -32.261569 0.002249 LBFGSLineSearch: 17 00:22:04 -32.261570 0.002141 LBFGSLineSearch: 18 00:22:05 -32.261572 0.001562 LBFGSLineSearch: 19 00:22:06 -32.261572 0.000523 LBFGSLineSearch: 20 00:22:07 -32.261572 0.000261 LBFGSLineSearch: 21 00:22:08 -32.261572 0.000105 LBFGSLineSearch: 22 00:22:08 -32.261572 0.000090 LBFGSLineSearch: 23 00:22:09 -32.261572 0.000077 LBFGSLineSearch: 24 00:22:11 -32.261572 0.000016 LBFGSLineSearch: 25 00:22:12 -32.261572 0.000000 Minimization converged after 25 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:22:20 -28.668606 0.256640 LBFGSLineSearch: 1 00:22:21 -28.677644 0.095369 LBFGSLineSearch: 2 00:22:21 -28.679651 0.081009 LBFGSLineSearch: 3 00:22:21 -28.680626 0.079110 LBFGSLineSearch: 4 00:22:22 -28.681471 0.061006 LBFGSLineSearch: 5 00:22:23 -28.681682 0.035613 LBFGSLineSearch: 6 00:22:24 -28.681846 0.027625 LBFGSLineSearch: 7 00:22:24 -28.681988 0.029290 LBFGSLineSearch: 8 00:22:25 -28.682213 0.020892 LBFGSLineSearch: 9 00:22:26 -28.682260 0.012513 LBFGSLineSearch: 10 00:22:26 -28.682297 0.015060 LBFGSLineSearch: 11 00:22:28 -28.682328 0.014080 LBFGSLineSearch: 12 00:22:30 -28.682379 0.012860 LBFGSLineSearch: 13 00:22:31 -28.682441 0.010185 LBFGSLineSearch: 14 00:22:32 -28.682459 0.003926 LBFGSLineSearch: 15 00:22:32 -28.682462 0.003608 LBFGSLineSearch: 16 00:22:33 -28.682468 0.004160 LBFGSLineSearch: 17 00:22:34 -28.682469 0.004210 LBFGSLineSearch: 18 00:22:36 -28.682476 0.001676 LBFGSLineSearch: 19 00:22:38 -28.682477 0.001037 LBFGSLineSearch: 20 00:22:39 -28.682477 0.000599 LBFGSLineSearch: 21 00:22:40 -28.682477 0.000493 LBFGSLineSearch: 22 00:22:41 -28.682477 0.000409 LBFGSLineSearch: 23 00:22:41 -28.682477 0.000346 LBFGSLineSearch: 24 00:22:42 -28.682477 0.000105 LBFGSLineSearch: 25 00:22:42 -28.682477 0.000009 Minimization converged after 25 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:22:50 -24.681640 0.285778 LBFGSLineSearch: 1 00:22:51 -24.693318 0.117359 LBFGSLineSearch: 2 00:22:52 -24.696503 0.099961 LBFGSLineSearch: 3 00:22:52 -24.698863 0.146392 LBFGSLineSearch: 4 00:22:53 -24.701609 0.180391 LBFGSLineSearch: 5 00:22:54 -24.703311 0.077050 LBFGSLineSearch: 6 00:22:57 -24.791981 4.175357 LBFGSLineSearch: 7 00:22:58 -25.627662 3.632832 LBFGSLineSearch: 8 00:23:00 -25.627674 3.633695 LBFGSLineSearch: 9 00:23:02 -26.634358 2.367603 LBFGSLineSearch: 10 00:23:03 -27.079412 2.616282 LBFGSLineSearch: 11 00:23:03 -27.202866 3.950215 LBFGSLineSearch: 12 00:23:05 -27.710561 4.270781 LBFGSLineSearch: 13 00:23:06 -27.718392 4.835941 LBFGSLineSearch: 14 00:23:07 -27.880705 3.743237 LBFGSLineSearch: 15 00:23:08 -28.253142 2.970805 LBFGSLineSearch: 16 00:23:09 -28.449809 3.868612 LBFGSLineSearch: 17 00:23:09 -29.066149 4.873575 LBFGSLineSearch: 18 00:23:10 -29.298364 5.306851 LBFGSLineSearch: 19 00:23:13 -31.030491 6.619071 LBFGSLineSearch: 20 00:23:15 -31.350405 4.056720 LBFGSLineSearch: 21 00:23:16 -31.405726 2.877766 LBFGSLineSearch: 22 00:23:17 -31.627606 2.902393 LBFGSLineSearch: 23 00:23:18 -31.959254 3.731432 LBFGSLineSearch: 24 00:23:18 -32.061136 2.671240 LBFGSLineSearch: 25 00:23:19 -32.111854 1.650282 LBFGSLineSearch: 26 00:23:20 -32.163059 1.689250 LBFGSLineSearch: 27 00:23:22 -32.183834 1.649517 LBFGSLineSearch: 28 00:23:25 -32.209425 1.487894 LBFGSLineSearch: 29 00:23:27 -32.223953 1.647189 LBFGSLineSearch: 30 00:23:27 -32.239104 1.612241 LBFGSLineSearch: 31 00:23:28 -32.261127 1.583192 LBFGSLineSearch: 32 00:23:29 -32.275944 1.031431 LBFGSLineSearch: 33 00:23:30 -32.624349 6.167114 LBFGSLineSearch: 34 00:23:33 -32.628504 5.677213 LBFGSLineSearch: 35 00:23:36 -32.863967 2.912076 LBFGSLineSearch: 36 00:23:37 -32.949355 3.417355 LBFGSLineSearch: 37 00:23:39 -33.023693 3.609928 LBFGSLineSearch: 38 00:23:40 -33.108095 3.468736 LBFGSLineSearch: 39 00:23:42 -33.176184 1.934706 LBFGSLineSearch: 40 00:23:44 -33.200685 1.161031 LBFGSLineSearch: 41 00:23:44 -33.211896 1.027209 LBFGSLineSearch: 42 00:23:45 -33.221093 1.030091 LBFGSLineSearch: 43 00:23:46 -33.226110 0.310801 LBFGSLineSearch: 44 00:23:47 -33.228044 0.232675 LBFGSLineSearch: 45 00:23:48 -33.228637 0.185598 LBFGSLineSearch: 46 00:23:49 -33.228820 0.080485 LBFGSLineSearch: 47 00:23:50 -33.228884 0.080696 LBFGSLineSearch: 48 00:23:50 -33.229000 0.089056 LBFGSLineSearch: 49 00:23:51 -33.229071 0.084648 LBFGSLineSearch: 50 00:23:52 -33.229155 0.025842 LBFGSLineSearch: 51 00:23:53 -33.229160 0.005852 LBFGSLineSearch: 52 00:23:55 -33.229160 0.005438 LBFGSLineSearch: 53 00:23:56 -33.229171 0.033195 LBFGSLineSearch: 54 00:23:57 -33.229207 0.053540 LBFGSLineSearch: 55 00:23:57 -33.229218 0.012810 LBFGSLineSearch: 56 00:23:58 -33.229221 0.003943 LBFGSLineSearch: 57 00:23:59 -33.230411 0.894034 LBFGSLineSearch: 58 00:23:59 -33.230411 0.905353 LBFGSLineSearch: 59 00:24:00 -33.234254 1.274981 LBFGSLineSearch: 60 00:24:01 -33.235723 1.762462 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 60 steps. Final forces: [[-6.70927884e-01 1.39868779e+00 1.01712961e+00] [ 6.70927884e-01 1.39868779e+00 -1.01712961e+00] [ 6.70927884e-01 -1.39868779e+00 -1.01712961e+00] [-6.70927884e-01 -1.39868779e+00 1.01712961e+00] [ 1.71923045e-17 -1.42268159e+00 -4.01603599e-19] [ 4.17852399e-17 1.42268159e+00 1.20711210e-18] [ 5.30092464e-02 6.01096020e-02 -1.04583250e-01] [-5.30092464e-02 6.01096020e-02 1.04583250e-01] [-5.30092464e-02 -6.01096020e-02 1.04583250e-01] [ 5.30092464e-02 -6.01096020e-02 -1.04583250e-01] [-1.84842927e-01 -2.98609345e-01 1.08191124e-01] [ 1.84842927e-01 -2.98609345e-01 -1.08191124e-01] [ 1.84842927e-01 2.98609345e-01 -1.08191124e-01] [-1.84842927e-01 2.98609345e-01 1.08191124e-01]] Final stress: [-2.30088931e-01 -2.22119473e-01 -1.95823029e-01 -1.27389192e-16 -4.91989318e-02 3.93163729e-18] Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:24:11 -29.515729 1.855000 LBFGSLineSearch: 1 00:24:12 -29.522052 0.815841 LBFGSLineSearch: 2 00:24:15 -29.527071 0.591180 LBFGSLineSearch: 3 00:24:18 -29.528115 0.465003 LBFGSLineSearch: 4 00:24:20 -29.528858 0.484270 LBFGSLineSearch: 5 00:24:21 -29.531206 0.700455 LBFGSLineSearch: 6 00:24:22 -29.536243 0.214885 LBFGSLineSearch: 7 00:24:23 -29.537046 0.357533 LBFGSLineSearch: 8 00:24:24 -29.538877 0.479487 LBFGSLineSearch: 9 00:24:25 -29.545051 0.391350 LBFGSLineSearch: 10 00:24:26 -29.549058 0.281115 LBFGSLineSearch: 11 00:24:27 -29.555086 0.586155 LBFGSLineSearch: 12 00:24:29 -29.560107 0.336142 LBFGSLineSearch: 13 00:24:30 -29.571016 0.302296 LBFGSLineSearch: 14 00:24:32 -29.577489 0.235715 LBFGSLineSearch: 15 00:24:34 -29.580823 0.199134 LBFGSLineSearch: 16 00:24:35 -29.585927 0.341615 LBFGSLineSearch: 17 00:24:37 -29.591808 0.285848 LBFGSLineSearch: 18 00:24:38 -29.593232 0.295269 LBFGSLineSearch: 19 00:24:39 -29.599296 0.250660 LBFGSLineSearch: 20 00:24:39 -29.602316 0.157940 LBFGSLineSearch: 21 00:24:39 -29.602618 0.043917 LBFGSLineSearch: 22 00:24:40 -29.602671 0.040056 LBFGSLineSearch: 23 00:24:41 -29.602723 0.025155 LBFGSLineSearch: 24 00:24:42 -29.602758 0.050315 LBFGSLineSearch: 25 00:24:43 -29.602775 0.014598 LBFGSLineSearch: 26 00:24:43 -29.602778 0.003827 LBFGSLineSearch: 27 00:24:44 -29.602778 0.000602 LBFGSLineSearch: 28 00:24:44 -29.602778 0.000047 LBFGSLineSearch: 29 00:24:45 -29.602778 0.000004 Minimization converged after 29 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:24:53 -25.455975 0.296200 LBFGSLineSearch: 1 00:24:54 -25.457507 0.546105 LBFGSLineSearch: 2 00:24:55 -25.460078 0.742823 LBFGSLineSearch: 3 00:24:56 -25.462085 0.319332 LBFGSLineSearch: 4 00:24:56 -25.462268 0.162964 LBFGSLineSearch: 5 00:24:56 -25.462357 0.120845 LBFGSLineSearch: 6 00:24:57 -25.462565 0.051428 LBFGSLineSearch: 7 00:24:57 -25.462722 0.070279 LBFGSLineSearch: 8 00:24:57 -25.462875 0.034765 LBFGSLineSearch: 9 00:24:58 -25.462981 0.028234 LBFGSLineSearch: 10 00:24:59 -25.463111 0.037564 LBFGSLineSearch: 11 00:24:59 -25.463206 0.005555 LBFGSLineSearch: 12 00:25:00 -25.463210 0.004085 LBFGSLineSearch: 13 00:25:01 -25.463214 0.010511 LBFGSLineSearch: 14 00:25:02 -25.463216 0.010481 LBFGSLineSearch: 15 00:25:02 -25.463222 0.009087 LBFGSLineSearch: 16 00:25:04 -25.463223 0.003621 LBFGSLineSearch: 17 00:25:04 -25.463223 0.002633 LBFGSLineSearch: 18 00:25:04 -25.463224 0.004297 LBFGSLineSearch: 19 00:25:05 -25.463225 0.000763 LBFGSLineSearch: 20 00:25:05 -25.463225 0.000005 Minimization converged after 20 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:14 -20.825604 0.331258 LBFGSLineSearch: 1 00:25:15 -20.827789 0.497335 LBFGSLineSearch: 2 00:25:16 -20.831954 0.639635 LBFGSLineSearch: 3 00:25:16 -20.833558 0.327037 LBFGSLineSearch: 4 00:25:17 -20.834033 0.188299 LBFGSLineSearch: 5 00:25:18 -20.834168 0.138974 LBFGSLineSearch: 6 00:25:21 -20.834535 0.074327 LBFGSLineSearch: 7 00:25:21 -20.834676 0.067976 LBFGSLineSearch: 8 00:25:22 -20.834899 0.054518 LBFGSLineSearch: 9 00:25:23 -20.835019 0.029690 LBFGSLineSearch: 10 00:25:24 -20.835185 0.053698 LBFGSLineSearch: 11 00:25:24 -20.835378 0.047652 LBFGSLineSearch: 12 00:25:25 -20.835390 0.011356 LBFGSLineSearch: 13 00:25:26 -20.835393 0.008665 LBFGSLineSearch: 14 00:25:28 -20.835402 0.005435 LBFGSLineSearch: 15 00:25:28 -20.835406 0.007010 LBFGSLineSearch: 16 00:25:29 -20.835411 0.006534 LBFGSLineSearch: 17 00:25:29 -20.835418 0.003635 LBFGSLineSearch: 18 00:25:31 -20.835418 0.002708 LBFGSLineSearch: 19 00:25:33 -20.835419 0.002216 LBFGSLineSearch: 20 00:25:35 -20.835420 0.001708 LBFGSLineSearch: 21 00:25:38 -20.835420 0.000345 LBFGSLineSearch: 22 00:25:41 -20.835420 0.000078 LBFGSLineSearch: 23 00:25:44 -20.835420 0.000006 Minimization converged after 23 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:25:53 -15.651674 0.370272 LBFGSLineSearch: 1 00:25:55 -15.654963 0.445029 LBFGSLineSearch: 2 00:25:57 -15.660840 0.485996 LBFGSLineSearch: 3 00:25:58 -15.661330 0.380487 LBFGSLineSearch: 4 00:25:58 -15.661905 0.232014 LBFGSLineSearch: 5 00:25:59 -15.662290 0.137214 LBFGSLineSearch: 6 00:25:59 -15.662577 0.086245 LBFGSLineSearch: 7 00:26:00 -15.662851 0.060161 LBFGSLineSearch: 8 00:26:01 -15.663050 0.092741 LBFGSLineSearch: 9 00:26:01 -15.663154 0.040020 LBFGSLineSearch: 10 00:26:02 -15.663379 0.110217 LBFGSLineSearch: 11 00:26:03 -15.663441 0.062150 LBFGSLineSearch: 12 00:26:03 -15.663463 0.014018 LBFGSLineSearch: 13 00:26:04 -15.663470 0.025434 LBFGSLineSearch: 14 00:26:05 -15.663485 0.026320 LBFGSLineSearch: 15 00:26:06 -15.663499 0.038016 LBFGSLineSearch: 16 00:26:06 -15.663517 0.026621 LBFGSLineSearch: 17 00:26:07 -15.663525 0.009007 LBFGSLineSearch: 18 00:26:07 -15.663531 0.009737 LBFGSLineSearch: 19 00:26:08 -15.663533 0.003721 LBFGSLineSearch: 20 00:26:09 -15.663534 0.001366 LBFGSLineSearch: 21 00:26:10 -15.663534 0.000464 LBFGSLineSearch: 22 00:26:11 -15.663534 0.000346 LBFGSLineSearch: 23 00:26:12 -15.663534 0.000689 LBFGSLineSearch: 24 00:26:13 -15.663534 0.000154 LBFGSLineSearch: 25 00:26:14 -15.663534 0.000022 LBFGSLineSearch: 26 00:26:14 -15.663534 0.000003 Minimization converged after 26 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:26:22 -9.872126 0.413672 LBFGSLineSearch: 1 00:26:23 -9.877158 0.518676 LBFGSLineSearch: 2 00:26:25 -9.882938 0.720960 LBFGSLineSearch: 3 00:26:26 -9.885920 0.344142 LBFGSLineSearch: 4 00:26:27 -9.887293 0.146206 LBFGSLineSearch: 5 00:26:28 -9.887702 0.105225 LBFGSLineSearch: 6 00:26:29 -9.888000 0.064271 LBFGSLineSearch: 7 00:26:29 -9.888218 0.080225 LBFGSLineSearch: 8 00:26:30 -9.888422 0.094917 LBFGSLineSearch: 9 00:26:31 -9.888622 0.040172 LBFGSLineSearch: 10 00:26:32 -9.888865 0.101199 LBFGSLineSearch: 11 00:26:33 -9.889071 0.048970 LBFGSLineSearch: 12 00:26:34 -9.889104 0.015030 LBFGSLineSearch: 13 00:26:35 -9.889129 0.041147 LBFGSLineSearch: 14 00:26:36 -9.889204 0.019672 LBFGSLineSearch: 15 00:26:38 -9.889241 0.019418 LBFGSLineSearch: 16 00:26:38 -9.889259 0.017332 LBFGSLineSearch: 17 00:26:39 -9.889274 0.007640 LBFGSLineSearch: 18 00:26:40 -9.889284 0.010824 LBFGSLineSearch: 19 00:26:42 -9.889291 0.007471 LBFGSLineSearch: 20 00:26:43 -9.889292 0.004883 LBFGSLineSearch: 21 00:26:44 -9.889293 0.006696 LBFGSLineSearch: 22 00:26:45 -9.889295 0.005158 LBFGSLineSearch: 23 00:26:45 -9.889296 0.001931 LBFGSLineSearch: 24 00:26:46 -9.889296 0.000447 LBFGSLineSearch: 25 00:26:47 -9.889296 0.000076 LBFGSLineSearch: 26 00:26:48 -9.889296 0.000009 Minimization converged after 26 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:26:55 -3.427353 0.461568 LBFGSLineSearch: 1 00:26:56 -3.440154 0.580701 LBFGSLineSearch: 2 00:26:57 -3.446611 0.180974 LBFGSLineSearch: 3 00:26:58 -3.447236 0.314661 LBFGSLineSearch: 4 00:26:58 -3.448337 0.058772 LBFGSLineSearch: 5 00:26:59 -3.448592 0.058480 LBFGSLineSearch: 6 00:27:00 -3.448830 0.058703 LBFGSLineSearch: 7 00:27:00 -3.449007 0.039798 LBFGSLineSearch: 8 00:27:01 -3.449133 0.039924 LBFGSLineSearch: 9 00:27:01 -3.449429 0.094329 LBFGSLineSearch: 10 00:27:02 -3.449658 0.018423 LBFGSLineSearch: 11 00:27:04 -3.449701 0.017273 LBFGSLineSearch: 12 00:27:05 -3.449739 0.018263 LBFGSLineSearch: 13 00:27:08 -3.449805 0.015444 LBFGSLineSearch: 14 00:27:10 -3.449838 0.016081 LBFGSLineSearch: 15 00:27:10 -3.449867 0.013951 LBFGSLineSearch: 16 00:27:11 -3.449875 0.006362 LBFGSLineSearch: 17 00:27:11 -3.449879 0.003984 LBFGSLineSearch: 18 00:27:13 -3.449880 0.003751 LBFGSLineSearch: 19 00:27:15 -3.449883 0.002572 LBFGSLineSearch: 20 00:27:16 -3.449883 0.000515 LBFGSLineSearch: 21 00:27:17 -3.449883 0.000074 LBFGSLineSearch: 22 00:27:18 -3.449883 0.000025 LBFGSLineSearch: 23 00:27:20 -3.449883 0.000000 Minimization converged after 23 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:27:31 3.752008 0.514421 LBFGSLineSearch: 1 00:27:31 3.731132 0.496490 LBFGSLineSearch: 2 00:27:32 3.726497 0.188149 LBFGSLineSearch: 3 00:27:32 3.725352 0.097967 LBFGSLineSearch: 4 00:27:32 3.724731 0.320460 LBFGSLineSearch: 5 00:27:33 3.724403 0.093147 LBFGSLineSearch: 6 00:27:33 3.724130 0.078773 LBFGSLineSearch: 7 00:27:34 3.723890 0.046733 LBFGSLineSearch: 8 00:27:34 3.723724 0.051259 LBFGSLineSearch: 9 00:27:35 3.723509 0.052710 LBFGSLineSearch: 10 00:27:35 3.723101 0.030570 LBFGSLineSearch: 11 00:27:36 3.723045 0.018314 LBFGSLineSearch: 12 00:27:37 3.723007 0.024201 LBFGSLineSearch: 13 00:27:37 3.722934 0.019526 LBFGSLineSearch: 14 00:27:38 3.722882 0.010371 LBFGSLineSearch: 15 00:27:39 3.722868 0.008917 LBFGSLineSearch: 16 00:27:40 3.722857 0.005978 LBFGSLineSearch: 17 00:27:41 3.722854 0.002901 LBFGSLineSearch: 18 00:27:43 3.722853 0.002464 LBFGSLineSearch: 19 00:27:44 3.722853 0.002432 LBFGSLineSearch: 20 00:27:45 3.722851 0.001155 LBFGSLineSearch: 21 00:27:46 3.722851 0.000584 LBFGSLineSearch: 22 00:27:47 3.722851 0.000109 LBFGSLineSearch: 23 00:27:48 3.722851 0.000012 LBFGSLineSearch: 24 00:27:50 3.722851 0.000000 Minimization converged after 24 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:27:58 11.741554 0.572765 LBFGSLineSearch: 1 00:27:58 11.711724 0.391703 LBFGSLineSearch: 2 00:28:01 11.709280 0.126191 LBFGSLineSearch: 3 00:28:03 11.707915 0.078185 LBFGSLineSearch: 4 00:28:05 11.707617 0.117383 LBFGSLineSearch: 5 00:28:07 11.707494 0.091513 LBFGSLineSearch: 6 00:28:07 11.707178 0.050156 LBFGSLineSearch: 7 00:28:08 11.706877 0.038107 LBFGSLineSearch: 8 00:28:08 11.706449 0.091600 LBFGSLineSearch: 9 00:28:08 11.706088 0.031185 LBFGSLineSearch: 10 00:28:09 11.705982 0.022184 LBFGSLineSearch: 11 00:28:11 11.705945 0.015583 LBFGSLineSearch: 12 00:28:14 11.705871 0.015598 LBFGSLineSearch: 13 00:28:16 11.705841 0.009072 LBFGSLineSearch: 14 00:28:19 11.705830 0.009206 LBFGSLineSearch: 15 00:28:20 11.705823 0.003955 LBFGSLineSearch: 16 00:28:21 11.705821 0.001600 LBFGSLineSearch: 17 00:28:21 11.705821 0.001203 LBFGSLineSearch: 18 00:28:22 11.705821 0.001548 LBFGSLineSearch: 19 00:28:24 11.705820 0.001263 LBFGSLineSearch: 20 00:28:26 11.705820 0.000251 LBFGSLineSearch: 21 00:28:27 11.705820 0.000063 LBFGSLineSearch: 22 00:28:29 11.705820 0.000015 LBFGSLineSearch: 23 00:28:31 11.705820 0.000000 Minimization converged after 23 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:28:38 20.626612 0.637199 LBFGSLineSearch: 1 00:28:38 20.586124 0.355360 LBFGSLineSearch: 2 00:28:39 20.584152 0.114211 LBFGSLineSearch: 3 00:28:40 20.583279 0.054569 LBFGSLineSearch: 4 00:28:40 20.582813 0.058834 LBFGSLineSearch: 5 00:28:40 20.582539 0.052136 LBFGSLineSearch: 6 00:28:41 20.582014 0.065110 LBFGSLineSearch: 7 00:28:41 20.581358 0.076771 LBFGSLineSearch: 8 00:28:42 20.580565 0.055453 LBFGSLineSearch: 9 00:28:42 20.580402 0.018441 LBFGSLineSearch: 10 00:28:42 20.580357 0.018295 LBFGSLineSearch: 11 00:28:43 20.580319 0.016982 LBFGSLineSearch: 12 00:28:43 20.580267 0.008919 LBFGSLineSearch: 13 00:28:44 20.580253 0.006838 LBFGSLineSearch: 14 00:28:45 20.580239 0.005266 LBFGSLineSearch: 15 00:28:45 20.580237 0.001682 LBFGSLineSearch: 16 00:28:46 20.580237 0.001155 LBFGSLineSearch: 17 00:28:47 20.580237 0.001240 LBFGSLineSearch: 18 00:28:49 20.580236 0.001218 LBFGSLineSearch: 19 00:28:50 20.580236 0.000033 LBFGSLineSearch: 20 00:28:50 20.580236 0.000001 Minimization converged after 20 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:28:58 30.490371 0.707867 LBFGSLineSearch: 1 00:28:59 30.442651 0.436335 LBFGSLineSearch: 2 00:28:59 30.439903 0.111302 LBFGSLineSearch: 3 00:29:00 30.438771 0.067547 LBFGSLineSearch: 4 00:29:01 30.438194 0.073293 LBFGSLineSearch: 5 00:29:03 30.437811 0.067524 LBFGSLineSearch: 6 00:29:06 30.437034 0.086885 LBFGSLineSearch: 7 00:29:07 30.436120 0.076049 LBFGSLineSearch: 8 00:29:08 30.435078 0.058428 LBFGSLineSearch: 9 00:29:09 30.434915 0.026113 LBFGSLineSearch: 10 00:29:10 30.434843 0.018882 LBFGSLineSearch: 11 00:29:12 30.434781 0.020007 LBFGSLineSearch: 12 00:29:13 30.434734 0.011286 LBFGSLineSearch: 13 00:29:13 30.434720 0.009533 LBFGSLineSearch: 14 00:29:14 30.434697 0.006016 LBFGSLineSearch: 15 00:29:14 30.434694 0.001799 LBFGSLineSearch: 16 00:29:15 30.434694 0.001738 LBFGSLineSearch: 17 00:29:15 30.434694 0.001556 LBFGSLineSearch: 18 00:29:16 30.434693 0.001502 LBFGSLineSearch: 19 00:29:16 30.434693 0.000829 LBFGSLineSearch: 20 00:29:16 30.434693 0.000208 LBFGSLineSearch: 21 00:29:17 30.434693 0.000002 Minimization converged after 21 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:24 41.434327 0.785688 LBFGSLineSearch: 1 00:29:25 41.378430 0.523599 LBFGSLineSearch: 2 00:29:26 41.374696 0.171117 LBFGSLineSearch: 3 00:29:26 41.372950 0.079457 LBFGSLineSearch: 4 00:29:26 41.372118 0.094996 LBFGSLineSearch: 5 00:29:27 41.371223 0.099411 LBFGSLineSearch: 6 00:29:28 41.370520 0.099869 LBFGSLineSearch: 7 00:29:28 41.369236 0.076011 LBFGSLineSearch: 8 00:29:29 41.367900 0.081523 LBFGSLineSearch: 9 00:29:29 41.367328 0.033964 LBFGSLineSearch: 10 00:29:31 41.367134 0.028394 LBFGSLineSearch: 11 00:29:31 41.367038 0.018519 LBFGSLineSearch: 12 00:29:33 41.366990 0.008057 LBFGSLineSearch: 13 00:29:35 41.366981 0.009417 LBFGSLineSearch: 14 00:29:37 41.366968 0.008524 LBFGSLineSearch: 15 00:29:39 41.366943 0.009070 LBFGSLineSearch: 16 00:29:40 41.366939 0.002444 LBFGSLineSearch: 17 00:29:41 41.366939 0.000851 LBFGSLineSearch: 18 00:29:41 41.366939 0.000689 LBFGSLineSearch: 19 00:29:42 41.366939 0.000097 LBFGSLineSearch: 20 00:29:42 41.366939 0.000028 LBFGSLineSearch: 21 00:29:43 41.366939 0.000000 Minimization converged after 21 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:29:50 53.563514 0.871184 LBFGSLineSearch: 1 00:29:50 53.499135 0.523229 LBFGSLineSearch: 2 00:29:51 53.495225 0.220034 LBFGSLineSearch: 3 00:29:51 53.492385 0.117465 LBFGSLineSearch: 4 00:29:51 53.490851 0.140508 LBFGSLineSearch: 5 00:29:52 53.489778 0.116966 LBFGSLineSearch: 6 00:29:52 53.488682 0.159154 LBFGSLineSearch: 7 00:29:52 53.487058 0.187513 LBFGSLineSearch: 8 00:29:53 53.483904 0.070078 LBFGSLineSearch: 9 00:29:54 53.483189 0.071898 LBFGSLineSearch: 10 00:29:55 53.482613 0.052418 LBFGSLineSearch: 11 00:29:56 53.482398 0.036485 LBFGSLineSearch: 12 00:29:56 53.482242 0.021055 LBFGSLineSearch: 13 00:29:57 53.482205 0.014766 LBFGSLineSearch: 14 00:29:58 53.482181 0.010994 LBFGSLineSearch: 15 00:29:59 53.482160 0.010964 LBFGSLineSearch: 16 00:30:00 53.482072 0.022473 LBFGSLineSearch: 17 00:30:00 53.481976 0.003417 LBFGSLineSearch: 18 00:30:01 53.481975 0.002896 LBFGSLineSearch: 19 00:30:02 53.481972 0.002275 LBFGSLineSearch: 20 00:30:02 53.481971 0.000676 LBFGSLineSearch: 21 00:30:03 53.481971 0.000025 LBFGSLineSearch: 22 00:30:03 53.481971 0.000001 Minimization converged after 22 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:12 66.986752 0.964627 LBFGSLineSearch: 1 00:30:13 66.912185 0.487881 LBFGSLineSearch: 2 00:30:13 66.907568 0.316071 LBFGSLineSearch: 3 00:30:14 66.900794 0.211997 LBFGSLineSearch: 4 00:30:15 66.895007 0.258998 LBFGSLineSearch: 5 00:30:16 66.889964 0.278582 LBFGSLineSearch: 6 00:30:17 66.827273 3.581983 LBFGSLineSearch: 7 00:30:18 66.818670 4.204370 LBFGSLineSearch: 8 00:30:21 66.583776 5.921503 LBFGSLineSearch: 9 00:30:22 66.271861 3.860765 LBFGSLineSearch: 10 00:30:23 65.848492 1.824310 LBFGSLineSearch: 11 00:30:23 65.443664 1.866162 LBFGSLineSearch: 12 00:30:23 65.265669 0.945435 LBFGSLineSearch: 13 00:30:24 64.376374 1.612215 LBFGSLineSearch: 14 00:30:25 64.373154 1.940226 LBFGSLineSearch: 15 00:30:25 64.047459 1.874761 LBFGSLineSearch: 16 00:30:26 63.825139 1.279101 LBFGSLineSearch: 17 00:30:26 63.738995 0.635700 LBFGSLineSearch: 18 00:30:26 63.700679 0.768792 LBFGSLineSearch: 19 00:30:27 63.676247 0.780992 LBFGSLineSearch: 20 00:30:27 63.652373 0.611099 LBFGSLineSearch: 21 00:30:28 63.224283 4.808714 LBFGSLineSearch: 22 00:30:28 63.164932 5.243675 LBFGSLineSearch: 23 00:30:29 62.474194 4.487416 LBFGSLineSearch: 24 00:30:29 61.750473 1.921537 LBFGSLineSearch: 25 00:30:29 61.412204 1.171125 LBFGSLineSearch: 26 00:30:30 61.333929 0.870298 LBFGSLineSearch: 27 00:30:31 61.232120 1.134787 LBFGSLineSearch: 28 00:30:31 61.127376 0.789346 LBFGSLineSearch: 29 00:30:31 61.036207 1.374180 LBFGSLineSearch: 30 00:30:32 61.010795 0.651024 LBFGSLineSearch: 31 00:30:32 60.998001 0.475353 LBFGSLineSearch: 32 00:30:33 60.988284 0.717970 LBFGSLineSearch: 33 00:30:33 60.978544 0.252734 LBFGSLineSearch: 34 00:30:33 60.976567 0.096845 LBFGSLineSearch: 35 00:30:35 60.976099 0.067808 LBFGSLineSearch: 36 00:30:37 60.975625 0.105182 LBFGSLineSearch: 37 00:30:38 60.974145 0.092143 LBFGSLineSearch: 38 00:30:38 60.973584 0.042080 LBFGSLineSearch: 39 00:30:39 60.973381 0.028322 LBFGSLineSearch: 40 00:30:39 60.973318 0.032094 LBFGSLineSearch: 41 00:30:40 60.973283 0.020950 LBFGSLineSearch: 42 00:30:41 60.973278 0.007021 LBFGSLineSearch: 43 00:30:42 60.973277 0.001576 LBFGSLineSearch: 44 00:30:43 60.973277 0.000856 LBFGSLineSearch: 45 00:30:44 60.973277 0.000336 LBFGSLineSearch: 46 00:30:45 60.973277 0.000101 LBFGSLineSearch: 47 00:30:47 60.973277 0.000002 Minimization converged after 47 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:30:56 74.420223 0.960497 LBFGSLineSearch: 1 00:30:57 74.371389 1.562698 LBFGSLineSearch: 2 00:30:58 74.339834 0.288636 LBFGSLineSearch: 3 00:30:59 74.336027 0.228618 LBFGSLineSearch: 4 00:31:00 74.334075 0.177923 LBFGSLineSearch: 5 00:31:02 74.331879 0.228105 LBFGSLineSearch: 6 00:31:04 74.329218 0.216280 LBFGSLineSearch: 7 00:31:05 74.324541 0.245405 LBFGSLineSearch: 8 00:31:05 74.323089 0.103691 LBFGSLineSearch: 9 00:31:07 74.322255 0.074076 LBFGSLineSearch: 10 00:31:07 74.322122 0.038634 LBFGSLineSearch: 11 00:31:08 74.321999 0.032276 LBFGSLineSearch: 12 00:31:11 74.321821 0.073506 LBFGSLineSearch: 13 00:31:12 74.321738 0.011309 LBFGSLineSearch: 14 00:31:13 74.321723 0.012106 LBFGSLineSearch: 15 00:31:13 74.321711 0.011861 LBFGSLineSearch: 16 00:31:13 74.321659 0.009439 LBFGSLineSearch: 17 00:31:13 74.321641 0.007522 LBFGSLineSearch: 18 00:31:14 74.321635 0.008198 LBFGSLineSearch: 19 00:31:15 74.321611 0.005851 LBFGSLineSearch: 20 00:31:16 74.321601 0.003078 LBFGSLineSearch: 21 00:31:17 74.321599 0.000491 LBFGSLineSearch: 22 00:31:18 74.321599 0.000028 LBFGSLineSearch: 23 00:31:19 74.321599 0.000002 Minimization converged after 23 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:31:27 89.199588 1.062714 LBFGSLineSearch: 1 00:31:28 89.141638 1.390285 LBFGSLineSearch: 2 00:31:30 89.113635 0.317686 LBFGSLineSearch: 3 00:31:31 89.108833 0.271762 LBFGSLineSearch: 4 00:31:32 89.106743 0.158332 LBFGSLineSearch: 5 00:31:33 89.106054 0.137145 LBFGSLineSearch: 6 00:31:34 89.105515 0.102967 LBFGSLineSearch: 7 00:31:34 89.104914 0.096848 LBFGSLineSearch: 8 00:31:35 89.104570 0.106419 LBFGSLineSearch: 9 00:31:35 89.103858 0.074875 LBFGSLineSearch: 10 00:31:37 89.103323 0.040633 LBFGSLineSearch: 11 00:31:38 89.103184 0.036831 LBFGSLineSearch: 12 00:31:39 89.102987 0.086241 LBFGSLineSearch: 13 00:31:42 89.102458 0.183375 LBFGSLineSearch: 14 00:31:44 89.102139 0.052164 LBFGSLineSearch: 15 00:31:45 89.102008 0.046700 LBFGSLineSearch: 16 00:31:46 89.101701 0.176431 LBFGSLineSearch: 17 00:31:48 89.096693 0.198049 LBFGSLineSearch: 18 00:31:49 89.095428 0.324546 LBFGSLineSearch: 19 00:31:50 89.094001 0.256427 LBFGSLineSearch: 20 00:31:50 89.092724 0.113245 LBFGSLineSearch: 21 00:31:51 89.092127 0.048375 LBFGSLineSearch: 22 00:31:52 89.091921 0.048504 LBFGSLineSearch: 23 00:31:53 89.091469 0.069498 LBFGSLineSearch: 24 00:31:54 89.089877 0.187816 LBFGSLineSearch: 25 00:31:54 89.088926 0.103800 LBFGSLineSearch: 26 00:31:55 89.088619 0.019048 LBFGSLineSearch: 27 00:31:56 89.088586 0.014584 LBFGSLineSearch: 28 00:31:57 89.088582 0.004847 LBFGSLineSearch: 29 00:31:59 89.088582 0.000668 LBFGSLineSearch: 30 00:31:59 89.088582 0.000170 LBFGSLineSearch: 31 00:32:00 89.088582 0.000052 LBFGSLineSearch: 32 00:32:01 89.088582 0.000005 Minimization converged after 32 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:11 105.551004 1.175889 LBFGSLineSearch: 1 00:32:13 105.462487 0.319500 LBFGSLineSearch: 2 00:32:16 105.459976 0.237285 LBFGSLineSearch: 3 00:32:18 105.458901 0.139539 LBFGSLineSearch: 4 00:32:19 105.458383 0.077365 LBFGSLineSearch: 5 00:32:20 105.458218 0.062046 LBFGSLineSearch: 6 00:32:21 105.458128 0.074367 LBFGSLineSearch: 7 00:32:22 105.457541 0.081824 LBFGSLineSearch: 8 00:32:24 105.456993 0.067977 LBFGSLineSearch: 9 00:32:26 105.456752 0.031602 LBFGSLineSearch: 10 00:32:29 105.456685 0.013625 LBFGSLineSearch: 11 00:32:29 105.456665 0.002079 LBFGSLineSearch: 12 00:32:30 105.456663 0.003300 LBFGSLineSearch: 13 00:32:32 105.456661 0.002450 LBFGSLineSearch: 14 00:32:34 105.456660 0.003402 LBFGSLineSearch: 15 00:32:35 105.456658 0.000801 LBFGSLineSearch: 16 00:32:35 105.456658 0.000719 LBFGSLineSearch: 17 00:32:36 105.456658 0.001487 LBFGSLineSearch: 18 00:32:37 105.456657 0.000017 LBFGSLineSearch: 19 00:32:37 105.456657 0.000000 Minimization converged after 19 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:32:45 123.719112 1.304461 LBFGSLineSearch: 1 00:32:46 123.609677 0.478889 LBFGSLineSearch: 2 00:32:46 123.604669 0.471454 LBFGSLineSearch: 3 00:32:49 123.602177 0.200251 LBFGSLineSearch: 4 00:32:50 123.600481 0.165705 LBFGSLineSearch: 5 00:32:51 123.599195 0.249544 LBFGSLineSearch: 6 00:32:52 123.598140 0.323159 LBFGSLineSearch: 7 00:32:53 123.596875 0.144230 LBFGSLineSearch: 8 00:32:53 123.595285 0.104500 LBFGSLineSearch: 9 00:32:53 123.592987 0.130148 LBFGSLineSearch: 10 00:32:54 123.591035 0.093836 LBFGSLineSearch: 11 00:32:55 123.590113 0.088895 LBFGSLineSearch: 12 00:32:55 123.588924 0.127827 LBFGSLineSearch: 13 00:32:56 123.586880 0.072563 LBFGSLineSearch: 14 00:32:56 123.586513 0.053391 LBFGSLineSearch: 15 00:32:57 123.585849 0.064599 LBFGSLineSearch: 16 00:32:58 123.584845 0.054078 LBFGSLineSearch: 17 00:32:59 123.584668 0.029489 LBFGSLineSearch: 18 00:32:59 123.584592 0.018678 LBFGSLineSearch: 19 00:33:00 123.584531 0.013841 LBFGSLineSearch: 20 00:33:02 123.584511 0.013590 LBFGSLineSearch: 21 00:33:04 123.584392 0.008614 LBFGSLineSearch: 22 00:33:06 123.584386 0.000838 LBFGSLineSearch: 23 00:33:07 123.584386 0.000047 LBFGSLineSearch: 24 00:33:07 123.584386 0.000005 Minimization converged after 24 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:14 143.792026 1.443402 LBFGSLineSearch: 1 00:33:15 143.672070 0.471352 LBFGSLineSearch: 2 00:33:15 143.666402 0.349500 LBFGSLineSearch: 3 00:33:15 143.665012 0.148650 LBFGSLineSearch: 4 00:33:16 143.664139 0.114963 LBFGSLineSearch: 5 00:33:16 143.663642 0.107881 LBFGSLineSearch: 6 00:33:17 143.663167 0.084520 LBFGSLineSearch: 7 00:33:18 143.663023 0.079240 LBFGSLineSearch: 8 00:33:19 143.662686 0.064098 LBFGSLineSearch: 9 00:33:21 143.662158 0.048562 LBFGSLineSearch: 10 00:33:21 143.661862 0.017296 LBFGSLineSearch: 11 00:33:23 143.661845 0.006308 LBFGSLineSearch: 12 00:33:25 143.661833 0.012080 LBFGSLineSearch: 13 00:33:26 143.661807 0.007515 LBFGSLineSearch: 14 00:33:26 143.661805 0.005763 LBFGSLineSearch: 15 00:33:27 143.661795 0.003873 LBFGSLineSearch: 16 00:33:28 143.661793 0.003376 LBFGSLineSearch: 17 00:33:28 143.661791 0.003298 LBFGSLineSearch: 18 00:33:29 143.661789 0.001439 LBFGSLineSearch: 19 00:33:30 143.661788 0.000442 LBFGSLineSearch: 20 00:33:30 143.661788 0.000001 Minimization converged after 20 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:37 166.056848 1.599647 LBFGSLineSearch: 1 00:33:38 165.921494 0.447135 LBFGSLineSearch: 2 00:33:38 165.914113 0.352034 LBFGSLineSearch: 3 00:33:39 165.911023 0.327275 LBFGSLineSearch: 4 00:33:39 165.908714 0.198154 LBFGSLineSearch: 5 00:33:40 165.907486 0.121554 LBFGSLineSearch: 6 00:33:40 165.906968 0.157428 LBFGSLineSearch: 7 00:33:41 165.906593 0.076571 LBFGSLineSearch: 8 00:33:42 165.906234 0.073032 LBFGSLineSearch: 9 00:33:43 165.905681 0.056734 LBFGSLineSearch: 10 00:33:45 165.905152 0.036689 LBFGSLineSearch: 11 00:33:46 165.905065 0.012033 LBFGSLineSearch: 12 00:33:47 165.905056 0.007041 LBFGSLineSearch: 13 00:33:47 165.905041 0.013249 LBFGSLineSearch: 14 00:33:48 165.905030 0.003098 LBFGSLineSearch: 15 00:33:49 165.905028 0.004206 LBFGSLineSearch: 16 00:33:50 165.905023 0.000483 LBFGSLineSearch: 17 00:33:50 165.905023 0.000434 LBFGSLineSearch: 18 00:33:51 165.905023 0.000444 LBFGSLineSearch: 19 00:33:51 165.905023 0.000333 LBFGSLineSearch: 20 00:33:51 165.905023 0.000005 Minimization converged after 20 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:33:58 190.700976 1.771137 LBFGSLineSearch: 1 00:33:58 190.545825 0.498324 LBFGSLineSearch: 2 00:33:59 190.532559 1.260866 LBFGSLineSearch: 3 00:33:59 190.518974 0.638729 LBFGSLineSearch: 4 00:34:00 190.498530 0.598192 LBFGSLineSearch: 5 00:34:00 190.483302 1.142505 LBFGSLineSearch: 6 00:34:01 189.614890 7.437311 LBFGSLineSearch: 7 00:34:02 189.602657 7.736295 LBFGSLineSearch: 8 00:34:03 188.153618 5.954205 LBFGSLineSearch: 9 00:34:03 187.175987 4.181580 LBFGSLineSearch: 10 00:34:04 186.323906 5.961584 LBFGSLineSearch: 11 00:34:05 184.748126 11.188838 LBFGSLineSearch: 12 00:34:06 184.595991 10.696838 LBFGSLineSearch: 13 00:34:07 184.056262 10.631814 LBFGSLineSearch: 14 00:34:07 182.737700 8.031595 LBFGSLineSearch: 15 00:34:07 181.904590 4.314315 LBFGSLineSearch: 16 00:34:08 181.020996 4.059497 LBFGSLineSearch: 17 00:34:08 180.598980 1.480494 LBFGSLineSearch: 18 00:34:09 180.402634 1.769447 LBFGSLineSearch: 19 00:34:09 180.204590 1.572222 LBFGSLineSearch: 20 00:34:09 180.070998 1.787014 LBFGSLineSearch: 21 00:34:10 179.930128 1.020124 LBFGSLineSearch: 22 00:34:10 179.892716 0.497463 LBFGSLineSearch: 23 00:34:12 179.881777 0.371617 LBFGSLineSearch: 24 00:34:14 179.878347 0.211598 LBFGSLineSearch: 25 00:34:17 179.875634 0.197278 LBFGSLineSearch: 26 00:34:19 179.874511 0.108229 LBFGSLineSearch: 27 00:34:20 179.873928 0.043198 LBFGSLineSearch: 28 00:34:21 179.873859 0.016325 LBFGSLineSearch: 29 00:34:21 179.873837 0.007906 LBFGSLineSearch: 30 00:34:21 179.873834 0.004002 LBFGSLineSearch: 31 00:34:22 179.873833 0.002427 LBFGSLineSearch: 32 00:34:22 179.873833 0.000877 LBFGSLineSearch: 33 00:34:24 179.873833 0.000463 LBFGSLineSearch: 34 00:34:24 179.873833 0.000308 LBFGSLineSearch: 35 00:34:25 179.873833 0.000135 LBFGSLineSearch: 36 00:34:25 179.873833 0.000015 LBFGSLineSearch: 37 00:34:26 179.873833 0.000003 Minimization converged after 37 steps. Failed to get energy or crystal structure at pressure 456.1401436878536 GPa. Exception: ChangedSymmetryException('Redetected prototype label A2B5_oC28_66_l_agl does not match nominal A2B5_mC28_15_f_e2f.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:29 -62.288669 0.032310 LBFGSLineSearch: 1 00:34:30 -62.288671 0.012777 LBFGSLineSearch: 2 00:34:30 -62.288672 0.005471 LBFGSLineSearch: 3 00:34:31 -62.288672 0.003002 LBFGSLineSearch: 4 00:34:31 -62.288672 0.000640 LBFGSLineSearch: 5 00:34:31 -62.288672 0.000482 LBFGSLineSearch: 6 00:34:32 -62.288672 0.000622 LBFGSLineSearch: 7 00:34:32 -62.288672 0.000181 LBFGSLineSearch: 8 00:34:33 -62.288672 0.000112 LBFGSLineSearch: 9 00:34:33 -62.288672 0.000066 LBFGSLineSearch: 10 00:34:33 -62.288672 0.000067 LBFGSLineSearch: 11 00:34:34 -62.288672 0.000041 LBFGSLineSearch: 12 00:34:34 -62.288672 0.000009 Minimization converged after 12 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:34:42 -62.713982 0.030383 LBFGSLineSearch: 1 00:34:43 -62.713999 0.043383 LBFGSLineSearch: 2 00:34:43 -62.714035 0.086290 LBFGSLineSearch: 3 00:34:44 -62.714051 0.035914 LBFGSLineSearch: 4 00:34:45 -62.714055 0.005119 LBFGSLineSearch: 5 00:34:45 -62.714057 0.017017 LBFGSLineSearch: 6 00:34:45 -62.714058 0.006666 LBFGSLineSearch: 7 00:34:46 -62.714062 0.008684 LBFGSLineSearch: 8 00:34:47 -62.714066 0.020110 LBFGSLineSearch: 9 00:34:48 -62.714074 0.002259 LBFGSLineSearch: 10 00:34:48 -62.714075 0.001077 LBFGSLineSearch: 11 00:34:49 -62.714075 0.001505 LBFGSLineSearch: 12 00:34:49 -62.714075 0.002076 LBFGSLineSearch: 13 00:34:50 -62.714075 0.001457 LBFGSLineSearch: 14 00:34:50 -62.714075 0.000392 LBFGSLineSearch: 15 00:34:51 -62.714075 0.000153 LBFGSLineSearch: 16 00:34:51 -62.714075 0.000234 LBFGSLineSearch: 17 00:34:52 -62.714075 0.000069 LBFGSLineSearch: 18 00:34:52 -62.714075 0.000009 Minimization converged after 18 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:00 -63.139570 0.030400 LBFGSLineSearch: 1 00:35:00 -63.139587 0.043273 LBFGSLineSearch: 2 00:35:01 -63.139622 0.087426 LBFGSLineSearch: 3 00:35:01 -63.139639 0.037866 LBFGSLineSearch: 4 00:35:02 -63.139643 0.004973 LBFGSLineSearch: 5 00:35:03 -63.139646 0.015710 LBFGSLineSearch: 6 00:35:04 -63.139646 0.007278 LBFGSLineSearch: 7 00:35:04 -63.139650 0.005721 LBFGSLineSearch: 8 00:35:05 -63.139660 0.015512 LBFGSLineSearch: 9 00:35:05 -63.139661 0.003352 LBFGSLineSearch: 10 00:35:06 -63.139662 0.001858 LBFGSLineSearch: 11 00:35:07 -63.139662 0.001477 LBFGSLineSearch: 12 00:35:07 -63.139662 0.000567 LBFGSLineSearch: 13 00:35:09 -63.139662 0.000708 LBFGSLineSearch: 14 00:35:11 -63.139662 0.001616 LBFGSLineSearch: 15 00:35:12 -63.139662 0.000250 LBFGSLineSearch: 16 00:35:12 -63.139662 0.000178 LBFGSLineSearch: 17 00:35:13 -63.139662 0.000099 LBFGSLineSearch: 18 00:35:14 -63.139662 0.000092 LBFGSLineSearch: 19 00:35:15 -63.139662 0.000057 LBFGSLineSearch: 20 00:35:15 -63.139662 0.000062 LBFGSLineSearch: 21 00:35:16 -63.139662 0.000077 LBFGSLineSearch: 22 00:35:17 -63.139662 0.000000 Minimization converged after 22 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:23 -63.565343 0.030406 LBFGSLineSearch: 1 00:35:23 -63.565360 0.043351 LBFGSLineSearch: 2 00:35:24 -63.565398 0.085898 LBFGSLineSearch: 3 00:35:24 -63.565413 0.034425 LBFGSLineSearch: 4 00:35:26 -63.565416 0.004951 LBFGSLineSearch: 5 00:35:26 -63.565417 0.017161 LBFGSLineSearch: 6 00:35:27 -63.565419 0.005964 LBFGSLineSearch: 7 00:35:29 -63.565423 0.005230 LBFGSLineSearch: 8 00:35:32 -63.565432 0.014021 LBFGSLineSearch: 9 00:35:33 -63.565434 0.003628 LBFGSLineSearch: 10 00:35:33 -63.565435 0.002204 LBFGSLineSearch: 11 00:35:33 -63.565435 0.001758 LBFGSLineSearch: 12 00:35:34 -63.565435 0.000655 LBFGSLineSearch: 13 00:35:35 -63.565435 0.000656 LBFGSLineSearch: 14 00:35:35 -63.565435 0.001484 LBFGSLineSearch: 15 00:35:36 -63.565436 0.000253 LBFGSLineSearch: 16 00:35:36 -63.565436 0.000174 LBFGSLineSearch: 17 00:35:37 -63.565436 0.000112 LBFGSLineSearch: 18 00:35:38 -63.565436 0.000103 LBFGSLineSearch: 19 00:35:38 -63.565436 0.000055 LBFGSLineSearch: 20 00:35:39 -63.565436 0.000061 LBFGSLineSearch: 21 00:35:39 -63.565436 0.000088 LBFGSLineSearch: 22 00:35:40 -63.565436 0.000000 Minimization converged after 22 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:35:46 -63.991301 0.030419 LBFGSLineSearch: 1 00:35:47 -63.991318 0.043335 LBFGSLineSearch: 2 00:35:49 -63.991360 0.081667 LBFGSLineSearch: 3 00:35:51 -63.991372 0.030516 LBFGSLineSearch: 4 00:35:53 -63.991375 0.005034 LBFGSLineSearch: 5 00:35:54 -63.991375 0.009143 LBFGSLineSearch: 6 00:35:55 -63.991378 0.007210 LBFGSLineSearch: 7 00:35:55 -63.991381 0.005482 LBFGSLineSearch: 8 00:35:56 -63.991384 0.004457 LBFGSLineSearch: 9 00:35:58 -63.991392 0.002199 LBFGSLineSearch: 10 00:36:00 -63.991394 0.001434 LBFGSLineSearch: 11 00:36:03 -63.991394 0.000674 LBFGSLineSearch: 12 00:36:04 -63.991394 0.000558 LBFGSLineSearch: 13 00:36:05 -63.991394 0.000456 LBFGSLineSearch: 14 00:36:06 -63.991394 0.000407 LBFGSLineSearch: 15 00:36:06 -63.991394 0.000181 LBFGSLineSearch: 16 00:36:06 -63.991394 0.000189 LBFGSLineSearch: 17 00:36:07 -63.991394 0.000095 LBFGSLineSearch: 18 00:36:07 -63.991394 0.000086 LBFGSLineSearch: 19 00:36:09 -63.991394 0.000056 LBFGSLineSearch: 20 00:36:09 -63.991394 0.000059 LBFGSLineSearch: 21 00:36:09 -63.991394 0.000000 Minimization converged after 21 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:16 -64.417446 0.030432 LBFGSLineSearch: 1 00:36:16 -64.417463 0.043315 LBFGSLineSearch: 2 00:36:17 -64.417504 0.081453 LBFGSLineSearch: 3 00:36:18 -64.417517 0.030230 LBFGSLineSearch: 4 00:36:19 -64.417519 0.005079 LBFGSLineSearch: 5 00:36:19 -64.417520 0.008695 LBFGSLineSearch: 6 00:36:20 -64.417523 0.006828 LBFGSLineSearch: 7 00:36:20 -64.417526 0.006048 LBFGSLineSearch: 8 00:36:21 -64.417529 0.004605 LBFGSLineSearch: 9 00:36:21 -64.417538 0.001796 LBFGSLineSearch: 10 00:36:22 -64.417538 0.001328 LBFGSLineSearch: 11 00:36:23 -64.417539 0.000632 LBFGSLineSearch: 12 00:36:25 -64.417539 0.000534 LBFGSLineSearch: 13 00:36:26 -64.417539 0.000537 LBFGSLineSearch: 14 00:36:28 -64.417539 0.000261 LBFGSLineSearch: 15 00:36:28 -64.417539 0.000175 LBFGSLineSearch: 16 00:36:28 -64.417539 0.000128 LBFGSLineSearch: 17 00:36:29 -64.417539 0.000096 LBFGSLineSearch: 18 00:36:29 -64.417539 0.000068 LBFGSLineSearch: 19 00:36:30 -64.417539 0.000016 LBFGSLineSearch: 20 00:36:30 -64.417539 0.000000 Minimization converged after 20 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:38 -64.843776 0.030446 LBFGSLineSearch: 1 00:36:38 -64.843793 0.043297 LBFGSLineSearch: 2 00:36:39 -64.843835 0.081757 LBFGSLineSearch: 3 00:36:40 -64.843848 0.030305 LBFGSLineSearch: 4 00:36:41 -64.843850 0.005035 LBFGSLineSearch: 5 00:36:42 -64.843850 0.008532 LBFGSLineSearch: 6 00:36:42 -64.843854 0.006662 LBFGSLineSearch: 7 00:36:43 -64.843857 0.006124 LBFGSLineSearch: 8 00:36:44 -64.843861 0.004998 LBFGSLineSearch: 9 00:36:45 -64.843869 0.002541 LBFGSLineSearch: 10 00:36:46 -64.843869 0.000707 LBFGSLineSearch: 11 00:36:47 -64.843869 0.001570 LBFGSLineSearch: 12 00:36:47 -64.843870 0.001902 LBFGSLineSearch: 13 00:36:48 -64.843870 0.000183 LBFGSLineSearch: 14 00:36:48 -64.843870 0.000154 LBFGSLineSearch: 15 00:36:48 -64.843870 0.000253 LBFGSLineSearch: 16 00:36:49 -64.843870 0.000147 LBFGSLineSearch: 17 00:36:50 -64.843870 0.000059 LBFGSLineSearch: 18 00:36:51 -64.843870 0.000004 Minimization converged after 18 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:36:59 -65.270294 0.030462 LBFGSLineSearch: 1 00:36:59 -65.270311 0.043283 LBFGSLineSearch: 2 00:37:00 -65.270352 0.082135 LBFGSLineSearch: 3 00:37:00 -65.270365 0.030375 LBFGSLineSearch: 4 00:37:01 -65.270368 0.004974 LBFGSLineSearch: 5 00:37:01 -65.270368 0.008451 LBFGSLineSearch: 6 00:37:01 -65.270371 0.006570 LBFGSLineSearch: 7 00:37:02 -65.270375 0.006128 LBFGSLineSearch: 8 00:37:03 -65.270378 0.005590 LBFGSLineSearch: 9 00:37:04 -65.270386 0.002665 LBFGSLineSearch: 10 00:37:05 -65.270387 0.000723 LBFGSLineSearch: 11 00:37:06 -65.270387 0.001499 LBFGSLineSearch: 12 00:37:07 -65.270387 0.002041 LBFGSLineSearch: 13 00:37:07 -65.270387 0.000185 LBFGSLineSearch: 14 00:37:08 -65.270387 0.000156 LBFGSLineSearch: 15 00:37:09 -65.270387 0.000245 LBFGSLineSearch: 16 00:37:09 -65.270387 0.000117 LBFGSLineSearch: 17 00:37:09 -65.270387 0.000056 LBFGSLineSearch: 18 00:37:10 -65.270387 0.000004 Minimization converged after 18 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:18 -65.696998 0.030475 LBFGSLineSearch: 1 00:37:18 -65.697015 0.043264 LBFGSLineSearch: 2 00:37:19 -65.697057 0.082463 LBFGSLineSearch: 3 00:37:20 -65.697070 0.030408 LBFGSLineSearch: 4 00:37:20 -65.697072 0.004961 LBFGSLineSearch: 5 00:37:21 -65.697072 0.008337 LBFGSLineSearch: 6 00:37:21 -65.697076 0.006495 LBFGSLineSearch: 7 00:37:22 -65.697079 0.006114 LBFGSLineSearch: 8 00:37:24 -65.697083 0.005101 LBFGSLineSearch: 9 00:37:26 -65.697090 0.003931 LBFGSLineSearch: 10 00:37:27 -65.697091 0.001464 LBFGSLineSearch: 11 00:37:28 -65.697091 0.001223 LBFGSLineSearch: 12 00:37:29 -65.697091 0.000818 LBFGSLineSearch: 13 00:37:31 -65.697091 0.000517 LBFGSLineSearch: 14 00:37:31 -65.697091 0.000865 LBFGSLineSearch: 15 00:37:32 -65.697091 0.000201 LBFGSLineSearch: 16 00:37:33 -65.697091 0.000147 LBFGSLineSearch: 17 00:37:33 -65.697091 0.000134 LBFGSLineSearch: 18 00:37:34 -65.697091 0.000107 LBFGSLineSearch: 19 00:37:35 -65.697091 0.000061 LBFGSLineSearch: 20 00:37:35 -65.697091 0.000051 LBFGSLineSearch: 21 00:37:36 -65.697091 0.000059 LBFGSLineSearch: 22 00:37:37 -65.697091 0.000000 Minimization converged after 22 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:37:46 -66.123890 0.030486 LBFGSLineSearch: 1 00:37:46 -66.123907 0.043242 LBFGSLineSearch: 2 00:37:47 -66.123948 0.082655 LBFGSLineSearch: 3 00:37:48 -66.123961 0.030408 LBFGSLineSearch: 4 00:37:49 -66.123964 0.004994 LBFGSLineSearch: 5 00:37:49 -66.123964 0.008120 LBFGSLineSearch: 6 00:37:50 -66.123968 0.006401 LBFGSLineSearch: 7 00:37:51 -66.123971 0.006008 LBFGSLineSearch: 8 00:37:51 -66.123976 0.004564 LBFGSLineSearch: 9 00:37:52 -66.123981 0.004972 LBFGSLineSearch: 10 00:37:52 -66.123982 0.002127 LBFGSLineSearch: 11 00:37:53 -66.123983 0.001258 LBFGSLineSearch: 12 00:37:54 -66.123983 0.000955 LBFGSLineSearch: 13 00:37:54 -66.123983 0.000605 LBFGSLineSearch: 14 00:37:55 -66.123983 0.000732 LBFGSLineSearch: 15 00:37:56 -66.123983 0.000308 LBFGSLineSearch: 16 00:37:56 -66.123983 0.000163 LBFGSLineSearch: 17 00:37:58 -66.123983 0.000161 LBFGSLineSearch: 18 00:37:59 -66.123983 0.000124 LBFGSLineSearch: 19 00:37:59 -66.123983 0.000068 LBFGSLineSearch: 20 00:37:59 -66.123983 0.000047 LBFGSLineSearch: 21 00:38:00 -66.123983 0.000053 LBFGSLineSearch: 22 00:38:01 -66.123983 0.000008 Minimization converged after 22 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:07 -66.550969 0.030506 LBFGSLineSearch: 1 00:38:08 -66.550986 0.043277 LBFGSLineSearch: 2 00:38:08 -66.551027 0.083648 LBFGSLineSearch: 3 00:38:08 -66.551041 0.030407 LBFGSLineSearch: 4 00:38:09 -66.551043 0.004991 LBFGSLineSearch: 5 00:38:09 -66.551043 0.008266 LBFGSLineSearch: 6 00:38:10 -66.551047 0.006531 LBFGSLineSearch: 7 00:38:10 -66.551050 0.006042 LBFGSLineSearch: 8 00:38:11 -66.551055 0.004588 LBFGSLineSearch: 9 00:38:11 -66.551060 0.005017 LBFGSLineSearch: 10 00:38:12 -66.551062 0.002587 LBFGSLineSearch: 11 00:38:13 -66.551062 0.000638 LBFGSLineSearch: 12 00:38:15 -66.551062 0.000664 LBFGSLineSearch: 13 00:38:17 -66.551062 0.000914 LBFGSLineSearch: 14 00:38:17 -66.551062 0.000216 LBFGSLineSearch: 15 00:38:18 -66.551062 0.000161 LBFGSLineSearch: 16 00:38:20 -66.551062 0.000101 LBFGSLineSearch: 17 00:38:21 -66.551062 0.000075 LBFGSLineSearch: 18 00:38:23 -66.551062 0.000057 LBFGSLineSearch: 19 00:38:24 -66.551062 0.000012 LBFGSLineSearch: 20 00:38:26 -66.551062 0.000000 Minimization converged after 20 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:38:35 -66.978235 0.030512 LBFGSLineSearch: 1 00:38:35 -66.978253 0.043202 LBFGSLineSearch: 2 00:38:36 -66.978294 0.083258 LBFGSLineSearch: 3 00:38:38 -66.978308 0.030365 LBFGSLineSearch: 4 00:38:39 -66.978310 0.005002 LBFGSLineSearch: 5 00:38:40 -66.978310 0.007927 LBFGSLineSearch: 6 00:38:41 -66.978314 0.006371 LBFGSLineSearch: 7 00:38:42 -66.978317 0.005770 LBFGSLineSearch: 8 00:38:43 -66.978325 0.011245 LBFGSLineSearch: 9 00:38:45 -66.978328 0.003511 LBFGSLineSearch: 10 00:38:45 -66.978329 0.002451 LBFGSLineSearch: 11 00:38:47 -66.978329 0.001854 LBFGSLineSearch: 12 00:38:47 -66.978329 0.000729 LBFGSLineSearch: 13 00:38:48 -66.978329 0.000867 LBFGSLineSearch: 14 00:38:49 -66.978329 0.001412 LBFGSLineSearch: 15 00:38:49 -66.978329 0.000241 LBFGSLineSearch: 16 00:38:50 -66.978329 0.000190 LBFGSLineSearch: 17 00:38:50 -66.978329 0.000114 LBFGSLineSearch: 18 00:38:51 -66.978329 0.000089 LBFGSLineSearch: 19 00:38:52 -66.978329 0.000066 LBFGSLineSearch: 20 00:38:52 -66.978329 0.000046 LBFGSLineSearch: 21 00:38:53 -66.978329 0.000068 LBFGSLineSearch: 22 00:38:53 -66.978329 0.000000 Minimization converged after 22 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:01 -67.405690 0.030526 LBFGSLineSearch: 1 00:39:01 -67.405707 0.043182 LBFGSLineSearch: 2 00:39:01 -67.405749 0.083575 LBFGSLineSearch: 3 00:39:02 -67.405762 0.030369 LBFGSLineSearch: 4 00:39:02 -67.405765 0.004996 LBFGSLineSearch: 5 00:39:03 -67.405765 0.007909 LBFGSLineSearch: 6 00:39:03 -67.405769 0.006424 LBFGSLineSearch: 7 00:39:04 -67.405772 0.005714 LBFGSLineSearch: 8 00:39:04 -67.405780 0.011289 LBFGSLineSearch: 9 00:39:05 -67.405782 0.003369 LBFGSLineSearch: 10 00:39:06 -67.405784 0.002557 LBFGSLineSearch: 11 00:39:07 -67.405784 0.001859 LBFGSLineSearch: 12 00:39:08 -67.405784 0.000717 LBFGSLineSearch: 13 00:39:08 -67.405784 0.001353 LBFGSLineSearch: 14 00:39:10 -67.405784 0.000321 LBFGSLineSearch: 15 00:39:10 -67.405784 0.000174 LBFGSLineSearch: 16 00:39:11 -67.405784 0.000166 LBFGSLineSearch: 17 00:39:12 -67.405784 0.000110 LBFGSLineSearch: 18 00:39:13 -67.405784 0.000122 LBFGSLineSearch: 19 00:39:13 -67.405784 0.000066 LBFGSLineSearch: 20 00:39:14 -67.405784 0.000054 LBFGSLineSearch: 21 00:39:14 -67.405784 0.000074 LBFGSLineSearch: 22 00:39:15 -67.405784 0.000000 Minimization converged after 22 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:23 -67.833333 0.030539 LBFGSLineSearch: 1 00:39:25 -67.833350 0.043162 LBFGSLineSearch: 2 00:39:27 -67.833392 0.083899 LBFGSLineSearch: 3 00:39:30 -67.833406 0.030360 LBFGSLineSearch: 4 00:39:31 -67.833408 0.005021 LBFGSLineSearch: 5 00:39:31 -67.833409 0.007907 LBFGSLineSearch: 6 00:39:32 -67.833412 0.006488 LBFGSLineSearch: 7 00:39:32 -67.833415 0.005671 LBFGSLineSearch: 8 00:39:33 -67.833424 0.011259 LBFGSLineSearch: 9 00:39:34 -67.833426 0.003324 LBFGSLineSearch: 10 00:39:34 -67.833427 0.002582 LBFGSLineSearch: 11 00:39:34 -67.833427 0.001872 LBFGSLineSearch: 12 00:39:35 -67.833427 0.000726 LBFGSLineSearch: 13 00:39:36 -67.833427 0.001383 LBFGSLineSearch: 14 00:39:38 -67.833427 0.000294 LBFGSLineSearch: 15 00:39:39 -67.833427 0.000153 LBFGSLineSearch: 16 00:39:41 -67.833427 0.000144 LBFGSLineSearch: 17 00:39:42 -67.833427 0.000205 LBFGSLineSearch: 18 00:39:42 -67.833427 0.000087 LBFGSLineSearch: 19 00:39:43 -67.833427 0.000053 LBFGSLineSearch: 20 00:39:45 -67.833427 0.000054 LBFGSLineSearch: 21 00:39:46 -67.833427 0.000000 Minimization converged after 21 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:39:55 -68.261165 0.030553 LBFGSLineSearch: 1 00:39:57 -68.261182 0.043143 LBFGSLineSearch: 2 00:39:58 -68.261224 0.084030 LBFGSLineSearch: 3 00:40:00 -68.261238 0.030407 LBFGSLineSearch: 4 00:40:01 -68.261240 0.004966 LBFGSLineSearch: 5 00:40:01 -68.261241 0.008117 LBFGSLineSearch: 6 00:40:02 -68.261244 0.006619 LBFGSLineSearch: 7 00:40:03 -68.261248 0.005821 LBFGSLineSearch: 8 00:40:04 -68.261255 0.010124 LBFGSLineSearch: 9 00:40:04 -68.261258 0.004210 LBFGSLineSearch: 10 00:40:04 -68.261259 0.002305 LBFGSLineSearch: 11 00:40:05 -68.261259 0.001756 LBFGSLineSearch: 12 00:40:06 -68.261259 0.000823 LBFGSLineSearch: 13 00:40:06 -68.261259 0.000733 LBFGSLineSearch: 14 00:40:07 -68.261259 0.001202 LBFGSLineSearch: 15 00:40:07 -68.261259 0.000159 LBFGSLineSearch: 16 00:40:08 -68.261259 0.000154 LBFGSLineSearch: 17 00:40:08 -68.261259 0.000110 LBFGSLineSearch: 18 00:40:08 -68.261259 0.000102 LBFGSLineSearch: 19 00:40:08 -68.261259 0.000058 LBFGSLineSearch: 20 00:40:08 -68.261259 0.000045 LBFGSLineSearch: 21 00:40:09 -68.261259 0.000058 LBFGSLineSearch: 22 00:40:09 -68.261259 0.000000 Minimization converged after 22 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:17 -68.689186 0.030566 LBFGSLineSearch: 1 00:40:17 -68.689203 0.043121 LBFGSLineSearch: 2 00:40:18 -68.689246 0.084029 LBFGSLineSearch: 3 00:40:19 -68.689259 0.030511 LBFGSLineSearch: 4 00:40:20 -68.689262 0.004943 LBFGSLineSearch: 5 00:40:20 -68.689262 0.008456 LBFGSLineSearch: 6 00:40:21 -68.689266 0.006780 LBFGSLineSearch: 7 00:40:21 -68.689269 0.005936 LBFGSLineSearch: 8 00:40:22 -68.689273 0.004599 LBFGSLineSearch: 9 00:40:23 -68.689279 0.004797 LBFGSLineSearch: 10 00:40:23 -68.689280 0.001957 LBFGSLineSearch: 11 00:40:24 -68.689280 0.001415 LBFGSLineSearch: 12 00:40:25 -68.689281 0.001029 LBFGSLineSearch: 13 00:40:26 -68.689281 0.000530 LBFGSLineSearch: 14 00:40:27 -68.689281 0.001002 LBFGSLineSearch: 15 00:40:27 -68.689281 0.000158 LBFGSLineSearch: 16 00:40:29 -68.689281 0.000103 LBFGSLineSearch: 17 00:40:29 -68.689281 0.000122 LBFGSLineSearch: 18 00:40:30 -68.689281 0.000052 LBFGSLineSearch: 19 00:40:31 -68.689281 0.000047 LBFGSLineSearch: 20 00:40:32 -68.689281 0.000106 LBFGSLineSearch: 21 00:40:32 -68.689281 0.000000 Minimization converged after 21 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:39 -69.117397 0.030580 LBFGSLineSearch: 1 00:40:40 -69.117414 0.043100 LBFGSLineSearch: 2 00:40:41 -69.117457 0.084175 LBFGSLineSearch: 3 00:40:41 -69.117470 0.030557 LBFGSLineSearch: 4 00:40:42 -69.117473 0.004925 LBFGSLineSearch: 5 00:40:43 -69.117473 0.008804 LBFGSLineSearch: 6 00:40:43 -69.117477 0.006939 LBFGSLineSearch: 7 00:40:44 -69.117480 0.005849 LBFGSLineSearch: 8 00:40:44 -69.117483 0.004966 LBFGSLineSearch: 9 00:40:45 -69.117490 0.002580 LBFGSLineSearch: 10 00:40:46 -69.117491 0.002131 LBFGSLineSearch: 11 00:40:46 -69.117491 0.001053 LBFGSLineSearch: 12 00:40:46 -69.117492 0.000628 LBFGSLineSearch: 13 00:40:47 -69.117492 0.000847 LBFGSLineSearch: 14 00:40:47 -69.117492 0.000157 LBFGSLineSearch: 15 00:40:48 -69.117492 0.000141 LBFGSLineSearch: 16 00:40:48 -69.117492 0.000075 LBFGSLineSearch: 17 00:40:49 -69.117492 0.000059 LBFGSLineSearch: 18 00:40:50 -69.117492 0.000245 LBFGSLineSearch: 19 00:40:52 -69.117492 0.000001 Minimization converged after 19 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:40:59 -69.545798 0.030593 LBFGSLineSearch: 1 00:41:00 -69.545815 0.043106 LBFGSLineSearch: 2 00:41:01 -69.545858 0.084613 LBFGSLineSearch: 3 00:41:01 -69.545871 0.030598 LBFGSLineSearch: 4 00:41:04 -69.545874 0.004914 LBFGSLineSearch: 5 00:41:05 -69.545874 0.008869 LBFGSLineSearch: 6 00:41:06 -69.545878 0.006918 LBFGSLineSearch: 7 00:41:06 -69.545881 0.005790 LBFGSLineSearch: 8 00:41:07 -69.545884 0.004841 LBFGSLineSearch: 9 00:41:09 -69.545891 0.002573 LBFGSLineSearch: 10 00:41:09 -69.545892 0.002098 LBFGSLineSearch: 11 00:41:10 -69.545892 0.001071 LBFGSLineSearch: 12 00:41:10 -69.545893 0.000628 LBFGSLineSearch: 13 00:41:11 -69.545893 0.000851 LBFGSLineSearch: 14 00:41:12 -69.545893 0.000140 LBFGSLineSearch: 15 00:41:12 -69.545893 0.000139 LBFGSLineSearch: 16 00:41:13 -69.545893 0.000063 LBFGSLineSearch: 17 00:41:14 -69.545893 0.000058 LBFGSLineSearch: 18 00:41:14 -69.545893 0.000286 LBFGSLineSearch: 19 00:41:15 -69.545893 0.000000 Minimization converged after 19 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:23 -69.974389 0.030607 LBFGSLineSearch: 1 00:41:23 -69.974406 0.043135 LBFGSLineSearch: 2 00:41:24 -69.974449 0.085155 LBFGSLineSearch: 3 00:41:24 -69.974463 0.030692 LBFGSLineSearch: 4 00:41:25 -69.974466 0.004995 LBFGSLineSearch: 5 00:41:25 -69.974466 0.008805 LBFGSLineSearch: 6 00:41:25 -69.974470 0.006875 LBFGSLineSearch: 7 00:41:26 -69.974473 0.005787 LBFGSLineSearch: 8 00:41:26 -69.974476 0.004622 LBFGSLineSearch: 9 00:41:27 -69.974482 0.003844 LBFGSLineSearch: 10 00:41:28 -69.974483 0.001417 LBFGSLineSearch: 11 00:41:28 -69.974484 0.001263 LBFGSLineSearch: 12 00:41:28 -69.974484 0.000926 LBFGSLineSearch: 13 00:41:29 -69.974484 0.000541 LBFGSLineSearch: 14 00:41:29 -69.974484 0.000952 LBFGSLineSearch: 15 00:41:29 -69.974484 0.000154 LBFGSLineSearch: 16 00:41:30 -69.974484 0.000095 LBFGSLineSearch: 17 00:41:31 -69.974484 0.000096 LBFGSLineSearch: 18 00:41:33 -69.974484 0.000053 LBFGSLineSearch: 19 00:41:34 -69.974484 0.000062 LBFGSLineSearch: 20 00:41:36 -69.974484 0.000109 LBFGSLineSearch: 21 00:41:39 -69.974484 0.000000 Minimization converged after 21 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:41:47 -70.403171 0.030620 LBFGSLineSearch: 1 00:41:48 -70.403188 0.043165 LBFGSLineSearch: 2 00:41:48 -70.403231 0.085660 LBFGSLineSearch: 3 00:41:49 -70.403245 0.030801 LBFGSLineSearch: 4 00:41:49 -70.403248 0.005098 LBFGSLineSearch: 5 00:41:50 -70.403248 0.008712 LBFGSLineSearch: 6 00:41:51 -70.403252 0.006862 LBFGSLineSearch: 7 00:41:52 -70.403255 0.005773 LBFGSLineSearch: 8 00:41:52 -70.403259 0.004578 LBFGSLineSearch: 9 00:41:53 -70.403264 0.004521 LBFGSLineSearch: 10 00:41:54 -70.403265 0.001831 LBFGSLineSearch: 11 00:41:55 -70.403266 0.001363 LBFGSLineSearch: 12 00:41:56 -70.403266 0.001079 LBFGSLineSearch: 13 00:41:56 -70.403266 0.000577 LBFGSLineSearch: 14 00:41:59 -70.403266 0.001005 LBFGSLineSearch: 15 00:42:01 -70.403266 0.000185 LBFGSLineSearch: 16 00:42:01 -70.403266 0.000098 LBFGSLineSearch: 17 00:42:02 -70.403266 0.000087 LBFGSLineSearch: 18 00:42:02 -70.403266 0.000071 LBFGSLineSearch: 19 00:42:03 -70.403266 0.000047 LBFGSLineSearch: 20 00:42:03 -70.403266 0.000025 LBFGSLineSearch: 21 00:42:04 -70.403266 0.000001 Minimization converged after 21 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:12 -70.832144 0.030634 LBFGSLineSearch: 1 00:42:13 -70.832162 0.043207 LBFGSLineSearch: 2 00:42:13 -70.832204 0.086266 LBFGSLineSearch: 3 00:42:14 -70.832219 0.030925 LBFGSLineSearch: 4 00:42:15 -70.832221 0.005204 LBFGSLineSearch: 5 00:42:15 -70.832222 0.008592 LBFGSLineSearch: 6 00:42:15 -70.832225 0.006825 LBFGSLineSearch: 7 00:42:16 -70.832228 0.005722 LBFGSLineSearch: 8 00:42:16 -70.832233 0.004521 LBFGSLineSearch: 9 00:42:17 -70.832237 0.004343 LBFGSLineSearch: 10 00:42:17 -70.832239 0.002127 LBFGSLineSearch: 11 00:42:18 -70.832239 0.001200 LBFGSLineSearch: 12 00:42:19 -70.832239 0.001107 LBFGSLineSearch: 13 00:42:20 -70.832240 0.000732 LBFGSLineSearch: 14 00:42:20 -70.832240 0.000816 LBFGSLineSearch: 15 00:42:21 -70.832240 0.000330 LBFGSLineSearch: 16 00:42:22 -70.832240 0.000107 LBFGSLineSearch: 17 00:42:22 -70.832240 0.000122 LBFGSLineSearch: 18 00:42:22 -70.832240 0.000081 LBFGSLineSearch: 19 00:42:23 -70.832240 0.000055 LBFGSLineSearch: 20 00:42:24 -70.832240 0.000047 LBFGSLineSearch: 21 00:42:24 -70.832240 0.000038 LBFGSLineSearch: 22 00:42:24 -70.832240 0.000010 LBFGSLineSearch: 23 00:42:25 -70.832240 0.000000 Minimization converged after 23 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:42:33 -71.261309 0.030648 LBFGSLineSearch: 1 00:42:33 -71.261326 0.043199 LBFGSLineSearch: 2 00:42:35 -71.261369 0.086617 LBFGSLineSearch: 3 00:42:37 -71.261384 0.030962 LBFGSLineSearch: 4 00:42:40 -71.261386 0.005229 LBFGSLineSearch: 5 00:42:43 -71.261387 0.008686 LBFGSLineSearch: 6 00:42:44 -71.261390 0.006885 LBFGSLineSearch: 7 00:42:45 -71.261393 0.005705 LBFGSLineSearch: 8 00:42:45 -71.261397 0.004526 LBFGSLineSearch: 9 00:42:46 -71.261402 0.004159 LBFGSLineSearch: 10 00:42:47 -71.261404 0.002044 LBFGSLineSearch: 11 00:42:48 -71.261404 0.001160 LBFGSLineSearch: 12 00:42:48 -71.261404 0.001085 LBFGSLineSearch: 13 00:42:48 -71.261404 0.000740 LBFGSLineSearch: 14 00:42:49 -71.261405 0.000793 LBFGSLineSearch: 15 00:42:50 -71.261405 0.000338 LBFGSLineSearch: 16 00:42:51 -71.261405 0.000105 LBFGSLineSearch: 17 00:42:53 -71.261405 0.000116 LBFGSLineSearch: 18 00:42:54 -71.261405 0.000080 LBFGSLineSearch: 19 00:42:55 -71.261405 0.000051 LBFGSLineSearch: 20 00:42:56 -71.261405 0.000045 LBFGSLineSearch: 21 00:42:57 -71.261405 0.000034 LBFGSLineSearch: 22 00:42:57 -71.261405 0.000009 Minimization converged after 22 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:05 -71.690666 0.030670 LBFGSLineSearch: 1 00:43:06 -71.690683 0.043215 LBFGSLineSearch: 2 00:43:08 -71.690726 0.087386 LBFGSLineSearch: 3 00:43:10 -71.690740 0.031020 LBFGSLineSearch: 4 00:43:11 -71.690743 0.005083 LBFGSLineSearch: 5 00:43:13 -71.690744 0.009220 LBFGSLineSearch: 6 00:43:14 -71.690747 0.007188 LBFGSLineSearch: 7 00:43:15 -71.690750 0.005527 LBFGSLineSearch: 8 00:43:15 -71.690753 0.004589 LBFGSLineSearch: 9 00:43:15 -71.690760 0.002312 LBFGSLineSearch: 10 00:43:15 -71.690761 0.000826 LBFGSLineSearch: 11 00:43:16 -71.690761 0.002919 LBFGSLineSearch: 12 00:43:16 -71.690762 0.000606 LBFGSLineSearch: 13 00:43:16 -71.690762 0.000187 LBFGSLineSearch: 14 00:43:17 -71.690762 0.000083 LBFGSLineSearch: 15 00:43:17 -71.690762 0.000080 LBFGSLineSearch: 16 00:43:17 -71.690762 0.000059 LBFGSLineSearch: 17 00:43:18 -71.690762 0.000044 LBFGSLineSearch: 18 00:43:18 -71.690762 0.000001 Minimization converged after 18 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:25 -72.120215 0.030676 LBFGSLineSearch: 1 00:43:26 -72.120232 0.043185 LBFGSLineSearch: 2 00:43:26 -72.120275 0.087298 LBFGSLineSearch: 3 00:43:27 -72.120290 0.031041 LBFGSLineSearch: 4 00:43:27 -72.120293 0.005325 LBFGSLineSearch: 5 00:43:27 -72.120293 0.008794 LBFGSLineSearch: 6 00:43:28 -72.120297 0.006944 LBFGSLineSearch: 7 00:43:29 -72.120300 0.005639 LBFGSLineSearch: 8 00:43:29 -72.120304 0.004515 LBFGSLineSearch: 9 00:43:30 -72.120309 0.004581 LBFGSLineSearch: 10 00:43:31 -72.120310 0.002394 LBFGSLineSearch: 11 00:43:33 -72.120311 0.000618 LBFGSLineSearch: 12 00:43:34 -72.120311 0.000780 LBFGSLineSearch: 13 00:43:34 -72.120311 0.000296 LBFGSLineSearch: 14 00:43:35 -72.120311 0.000153 LBFGSLineSearch: 15 00:43:36 -72.120311 0.000085 LBFGSLineSearch: 16 00:43:36 -72.120311 0.000135 LBFGSLineSearch: 17 00:43:37 -72.120311 0.000053 LBFGSLineSearch: 18 00:43:38 -72.120311 0.000043 LBFGSLineSearch: 19 00:43:39 -72.120311 0.000003 Minimization converged after 19 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:43:48 -72.549957 0.030691 LBFGSLineSearch: 1 00:43:49 -72.549974 0.043154 LBFGSLineSearch: 2 00:43:49 -72.550017 0.087297 LBFGSLineSearch: 3 00:43:50 -72.550032 0.030867 LBFGSLineSearch: 4 00:43:51 -72.550035 0.005392 LBFGSLineSearch: 5 00:43:52 -72.550035 0.008829 LBFGSLineSearch: 6 00:43:52 -72.550039 0.006912 LBFGSLineSearch: 7 00:43:53 -72.550042 0.005584 LBFGSLineSearch: 8 00:43:53 -72.550046 0.004488 LBFGSLineSearch: 9 00:43:54 -72.550050 0.004096 LBFGSLineSearch: 10 00:43:54 -72.550052 0.002056 LBFGSLineSearch: 11 00:43:54 -72.550053 0.001116 LBFGSLineSearch: 12 00:43:55 -72.550053 0.001123 LBFGSLineSearch: 13 00:43:55 -72.550053 0.000773 LBFGSLineSearch: 14 00:43:56 -72.550053 0.000799 LBFGSLineSearch: 15 00:43:56 -72.550053 0.000364 LBFGSLineSearch: 16 00:43:57 -72.550053 0.000113 LBFGSLineSearch: 17 00:43:57 -72.550053 0.000071 LBFGSLineSearch: 18 00:43:58 -72.550053 0.000066 LBFGSLineSearch: 19 00:43:58 -72.550053 0.000046 LBFGSLineSearch: 20 00:43:59 -72.550053 0.000063 LBFGSLineSearch: 21 00:43:59 -72.550053 0.000009 Minimization converged after 21 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:08 -72.979892 0.030707 LBFGSLineSearch: 1 00:44:09 -72.979910 0.043181 LBFGSLineSearch: 2 00:44:10 -72.979953 0.087690 LBFGSLineSearch: 3 00:44:10 -72.979968 0.030808 LBFGSLineSearch: 4 00:44:11 -72.979971 0.005461 LBFGSLineSearch: 5 00:44:12 -72.979971 0.008845 LBFGSLineSearch: 6 00:44:12 -72.979975 0.006956 LBFGSLineSearch: 7 00:44:13 -72.979978 0.005575 LBFGSLineSearch: 8 00:44:13 -72.979982 0.004480 LBFGSLineSearch: 9 00:44:14 -72.979986 0.004129 LBFGSLineSearch: 10 00:44:14 -72.979988 0.002097 LBFGSLineSearch: 11 00:44:15 -72.979988 0.001112 LBFGSLineSearch: 12 00:44:16 -72.979988 0.001156 LBFGSLineSearch: 13 00:44:16 -72.979988 0.000791 LBFGSLineSearch: 14 00:44:17 -72.979988 0.000818 LBFGSLineSearch: 15 00:44:17 -72.979989 0.000380 LBFGSLineSearch: 16 00:44:17 -72.979989 0.000117 LBFGSLineSearch: 17 00:44:18 -72.979989 0.000072 LBFGSLineSearch: 18 00:44:18 -72.979989 0.000094 LBFGSLineSearch: 19 00:44:19 -72.979989 0.000041 LBFGSLineSearch: 20 00:44:19 -72.979989 0.000032 LBFGSLineSearch: 21 00:44:19 -72.979989 0.000004 Minimization converged after 21 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:27 -73.410021 0.030716 LBFGSLineSearch: 1 00:44:28 -73.410039 0.043165 LBFGSLineSearch: 2 00:44:30 -73.410082 0.087876 LBFGSLineSearch: 3 00:44:31 -73.410097 0.030809 LBFGSLineSearch: 4 00:44:31 -73.410100 0.005624 LBFGSLineSearch: 5 00:44:32 -73.410100 0.008659 LBFGSLineSearch: 6 00:44:33 -73.410104 0.006854 LBFGSLineSearch: 7 00:44:34 -73.410107 0.005423 LBFGSLineSearch: 8 00:44:35 -73.410114 0.009217 LBFGSLineSearch: 9 00:44:36 -73.410116 0.003912 LBFGSLineSearch: 10 00:44:36 -73.410117 0.002151 LBFGSLineSearch: 11 00:44:36 -73.410118 0.002101 LBFGSLineSearch: 12 00:44:37 -73.410118 0.001004 LBFGSLineSearch: 13 00:44:38 -73.410118 0.000776 LBFGSLineSearch: 14 00:44:38 -73.410118 0.001426 LBFGSLineSearch: 15 00:44:39 -73.410118 0.000170 LBFGSLineSearch: 16 00:44:39 -73.410118 0.000089 LBFGSLineSearch: 17 00:44:39 -73.410118 0.000070 LBFGSLineSearch: 18 00:44:40 -73.410118 0.000043 LBFGSLineSearch: 19 00:44:40 -73.410118 0.000038 LBFGSLineSearch: 20 00:44:40 -73.410118 0.000032 LBFGSLineSearch: 21 00:44:41 -73.410118 0.000000 Minimization converged after 21 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:44:48 -73.840344 0.030730 LBFGSLineSearch: 1 00:44:49 -73.840362 0.043165 LBFGSLineSearch: 2 00:44:49 -73.840406 0.088183 LBFGSLineSearch: 3 00:44:50 -73.840421 0.030839 LBFGSLineSearch: 4 00:44:50 -73.840424 0.005641 LBFGSLineSearch: 5 00:44:51 -73.840424 0.008788 LBFGSLineSearch: 6 00:44:51 -73.840428 0.006928 LBFGSLineSearch: 7 00:44:52 -73.840431 0.005453 LBFGSLineSearch: 8 00:44:52 -73.840437 0.008020 LBFGSLineSearch: 9 00:44:52 -73.840440 0.002962 LBFGSLineSearch: 10 00:44:53 -73.840441 0.000790 LBFGSLineSearch: 11 00:44:53 -73.840441 0.001199 LBFGSLineSearch: 12 00:44:54 -73.840441 0.001764 LBFGSLineSearch: 13 00:44:54 -73.840441 0.000684 LBFGSLineSearch: 14 00:44:55 -73.840441 0.000122 LBFGSLineSearch: 15 00:44:56 -73.840441 0.000136 LBFGSLineSearch: 16 00:44:56 -73.840441 0.000048 LBFGSLineSearch: 17 00:44:57 -73.840441 0.000036 LBFGSLineSearch: 18 00:44:58 -73.840441 0.000001 Minimization converged after 18 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:07 -74.270862 0.030744 LBFGSLineSearch: 1 00:45:08 -74.270880 0.043159 LBFGSLineSearch: 2 00:45:09 -74.270924 0.088501 LBFGSLineSearch: 3 00:45:09 -74.270939 0.030874 LBFGSLineSearch: 4 00:45:10 -74.270942 0.005694 LBFGSLineSearch: 5 00:45:11 -74.270942 0.008819 LBFGSLineSearch: 6 00:45:13 -74.270946 0.006930 LBFGSLineSearch: 7 00:45:15 -74.270949 0.005418 LBFGSLineSearch: 8 00:45:16 -74.270955 0.008015 LBFGSLineSearch: 9 00:45:17 -74.270959 0.002964 LBFGSLineSearch: 10 00:45:17 -74.270960 0.000793 LBFGSLineSearch: 11 00:45:18 -74.270960 0.001066 LBFGSLineSearch: 12 00:45:18 -74.270960 0.001870 LBFGSLineSearch: 13 00:45:19 -74.270960 0.000701 LBFGSLineSearch: 14 00:45:19 -74.270960 0.000090 LBFGSLineSearch: 15 00:45:20 -74.270960 0.000161 LBFGSLineSearch: 16 00:45:20 -74.270960 0.000053 LBFGSLineSearch: 17 00:45:21 -74.270960 0.000031 LBFGSLineSearch: 18 00:45:21 -74.270960 0.000001 Minimization converged after 18 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:28 -74.701576 0.030758 LBFGSLineSearch: 1 00:45:29 -74.701594 0.043161 LBFGSLineSearch: 2 00:45:30 -74.701637 0.088775 LBFGSLineSearch: 3 00:45:31 -74.701653 0.030939 LBFGSLineSearch: 4 00:45:32 -74.701656 0.005767 LBFGSLineSearch: 5 00:45:32 -74.701656 0.008790 LBFGSLineSearch: 6 00:45:33 -74.701660 0.006894 LBFGSLineSearch: 7 00:45:33 -74.701663 0.005352 LBFGSLineSearch: 8 00:45:34 -74.701669 0.008856 LBFGSLineSearch: 9 00:45:34 -74.701672 0.003948 LBFGSLineSearch: 10 00:45:35 -74.701673 0.002122 LBFGSLineSearch: 11 00:45:36 -74.701673 0.002114 LBFGSLineSearch: 12 00:45:37 -74.701673 0.001028 LBFGSLineSearch: 13 00:45:38 -74.701673 0.000766 LBFGSLineSearch: 14 00:45:39 -74.701673 0.001395 LBFGSLineSearch: 15 00:45:39 -74.701673 0.000230 LBFGSLineSearch: 16 00:45:39 -74.701673 0.000088 LBFGSLineSearch: 17 00:45:40 -74.701673 0.000068 LBFGSLineSearch: 18 00:45:40 -74.701673 0.000046 LBFGSLineSearch: 19 00:45:41 -74.701673 0.000031 LBFGSLineSearch: 20 00:45:41 -74.701673 0.000030 LBFGSLineSearch: 21 00:45:41 -74.701673 0.000000 Minimization converged after 21 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:45:50 -75.132485 0.030772 LBFGSLineSearch: 1 00:45:50 -75.132503 0.043147 LBFGSLineSearch: 2 00:45:50 -75.132547 0.089047 LBFGSLineSearch: 3 00:45:52 -75.132562 0.030989 LBFGSLineSearch: 4 00:45:53 -75.132565 0.005784 LBFGSLineSearch: 5 00:45:54 -75.132565 0.008862 LBFGSLineSearch: 6 00:45:54 -75.132569 0.006895 LBFGSLineSearch: 7 00:45:54 -75.132572 0.005344 LBFGSLineSearch: 8 00:45:55 -75.132578 0.008365 LBFGSLineSearch: 9 00:45:55 -75.132582 0.003004 LBFGSLineSearch: 10 00:45:56 -75.132583 0.000800 LBFGSLineSearch: 11 00:45:56 -75.132583 0.000889 LBFGSLineSearch: 12 00:45:56 -75.132583 0.002087 LBFGSLineSearch: 13 00:45:57 -75.132583 0.000714 LBFGSLineSearch: 14 00:45:57 -75.132583 0.000184 LBFGSLineSearch: 15 00:45:57 -75.132583 0.000111 LBFGSLineSearch: 16 00:45:58 -75.132583 0.000048 LBFGSLineSearch: 17 00:45:58 -75.132583 0.000028 LBFGSLineSearch: 18 00:45:59 -75.132583 0.000001 Minimization converged after 18 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:05 -75.563590 0.030786 LBFGSLineSearch: 1 00:46:05 -75.563608 0.043152 LBFGSLineSearch: 2 00:46:07 -75.563652 0.089405 LBFGSLineSearch: 3 00:46:10 -75.563668 0.031090 LBFGSLineSearch: 4 00:46:13 -75.563671 0.005843 LBFGSLineSearch: 5 00:46:15 -75.563671 0.008818 LBFGSLineSearch: 6 00:46:16 -75.563675 0.006816 LBFGSLineSearch: 7 00:46:18 -75.563678 0.005269 LBFGSLineSearch: 8 00:46:20 -75.563684 0.009325 LBFGSLineSearch: 9 00:46:22 -75.563687 0.003971 LBFGSLineSearch: 10 00:46:22 -75.563688 0.002285 LBFGSLineSearch: 11 00:46:22 -75.563688 0.002209 LBFGSLineSearch: 12 00:46:22 -75.563688 0.001052 LBFGSLineSearch: 13 00:46:23 -75.563688 0.000796 LBFGSLineSearch: 14 00:46:23 -75.563688 0.001437 LBFGSLineSearch: 15 00:46:23 -75.563688 0.000284 LBFGSLineSearch: 16 00:46:24 -75.563688 0.000134 LBFGSLineSearch: 17 00:46:24 -75.563688 0.000077 LBFGSLineSearch: 18 00:46:25 -75.563688 0.000074 LBFGSLineSearch: 19 00:46:25 -75.563688 0.000053 LBFGSLineSearch: 20 00:46:26 -75.563688 0.000019 LBFGSLineSearch: 21 00:46:26 -75.563688 0.000001 Minimization converged after 21 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:35 -75.994892 0.030800 LBFGSLineSearch: 1 00:46:36 -75.994911 0.043142 LBFGSLineSearch: 2 00:46:36 -75.994955 0.089728 LBFGSLineSearch: 3 00:46:37 -75.994971 0.031159 LBFGSLineSearch: 4 00:46:37 -75.994973 0.005847 LBFGSLineSearch: 5 00:46:38 -75.994974 0.008903 LBFGSLineSearch: 6 00:46:38 -75.994978 0.006814 LBFGSLineSearch: 7 00:46:39 -75.994981 0.005275 LBFGSLineSearch: 8 00:46:41 -75.994986 0.008741 LBFGSLineSearch: 9 00:46:41 -75.994990 0.002982 LBFGSLineSearch: 10 00:46:42 -75.994991 0.000816 LBFGSLineSearch: 11 00:46:43 -75.994991 0.000756 LBFGSLineSearch: 12 00:46:43 -75.994991 0.002131 LBFGSLineSearch: 13 00:46:44 -75.994991 0.000687 LBFGSLineSearch: 14 00:46:45 -75.994991 0.000222 LBFGSLineSearch: 15 00:46:48 -75.994991 0.000100 LBFGSLineSearch: 16 00:46:49 -75.994991 0.000043 LBFGSLineSearch: 17 00:46:49 -75.994991 0.000044 LBFGSLineSearch: 18 00:46:50 -75.994991 0.000020 LBFGSLineSearch: 19 00:46:50 -75.994991 0.000000 Minimization converged after 19 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:46:58 -76.426392 0.030814 LBFGSLineSearch: 1 00:46:58 -76.426410 0.043131 LBFGSLineSearch: 2 00:46:59 -76.426455 0.089929 LBFGSLineSearch: 3 00:47:00 -76.426471 0.031230 LBFGSLineSearch: 4 00:47:00 -76.426473 0.005903 LBFGSLineSearch: 5 00:47:01 -76.426474 0.008910 LBFGSLineSearch: 6 00:47:01 -76.426478 0.006780 LBFGSLineSearch: 7 00:47:03 -76.426481 0.005223 LBFGSLineSearch: 8 00:47:03 -76.426487 0.009102 LBFGSLineSearch: 9 00:47:04 -76.426489 0.004073 LBFGSLineSearch: 10 00:47:05 -76.426490 0.002209 LBFGSLineSearch: 11 00:47:06 -76.426491 0.002171 LBFGSLineSearch: 12 00:47:06 -76.426491 0.001061 LBFGSLineSearch: 13 00:47:07 -76.426491 0.001183 LBFGSLineSearch: 14 00:47:07 -76.426491 0.000484 LBFGSLineSearch: 15 00:47:07 -76.426491 0.000235 LBFGSLineSearch: 16 00:47:08 -76.426491 0.000126 LBFGSLineSearch: 17 00:47:08 -76.426491 0.000071 LBFGSLineSearch: 18 00:47:08 -76.426491 0.000049 LBFGSLineSearch: 19 00:47:09 -76.426491 0.000014 LBFGSLineSearch: 20 00:47:09 -76.426491 0.000003 Minimization converged after 20 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:17 -76.858090 0.030831 LBFGSLineSearch: 1 00:47:18 -76.858108 0.043139 LBFGSLineSearch: 2 00:47:18 -76.858152 0.090237 LBFGSLineSearch: 3 00:47:19 -76.858169 0.031341 LBFGSLineSearch: 4 00:47:20 -76.858171 0.005945 LBFGSLineSearch: 5 00:47:20 -76.858172 0.008933 LBFGSLineSearch: 6 00:47:21 -76.858176 0.006753 LBFGSLineSearch: 7 00:47:21 -76.858179 0.005186 LBFGSLineSearch: 8 00:47:22 -76.858185 0.009330 LBFGSLineSearch: 9 00:47:22 -76.858187 0.004092 LBFGSLineSearch: 10 00:47:23 -76.858188 0.002289 LBFGSLineSearch: 11 00:47:23 -76.858189 0.002217 LBFGSLineSearch: 12 00:47:23 -76.858189 0.001072 LBFGSLineSearch: 13 00:47:25 -76.858189 0.001214 LBFGSLineSearch: 14 00:47:26 -76.858189 0.000493 LBFGSLineSearch: 15 00:47:26 -76.858189 0.000252 LBFGSLineSearch: 16 00:47:27 -76.858189 0.000120 LBFGSLineSearch: 17 00:47:27 -76.858189 0.000070 LBFGSLineSearch: 18 00:47:28 -76.858189 0.000046 LBFGSLineSearch: 19 00:47:28 -76.858189 0.000010 LBFGSLineSearch: 20 00:47:29 -76.858189 0.000001 Minimization converged after 20 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:37 -77.289986 0.030843 LBFGSLineSearch: 1 00:47:38 -77.290004 0.043125 LBFGSLineSearch: 2 00:47:38 -77.290049 0.090537 LBFGSLineSearch: 3 00:47:38 -77.290065 0.031404 LBFGSLineSearch: 4 00:47:39 -77.290068 0.006004 LBFGSLineSearch: 5 00:47:39 -77.290068 0.008931 LBFGSLineSearch: 6 00:47:39 -77.290073 0.006710 LBFGSLineSearch: 7 00:47:40 -77.290076 0.005132 LBFGSLineSearch: 8 00:47:40 -77.290082 0.009777 LBFGSLineSearch: 9 00:47:40 -77.290084 0.004042 LBFGSLineSearch: 10 00:47:41 -77.290085 0.002499 LBFGSLineSearch: 11 00:47:41 -77.290085 0.002321 LBFGSLineSearch: 12 00:47:41 -77.290085 0.001082 LBFGSLineSearch: 13 00:47:42 -77.290085 0.001300 LBFGSLineSearch: 14 00:47:42 -77.290086 0.000501 LBFGSLineSearch: 15 00:47:43 -77.290086 0.000270 LBFGSLineSearch: 16 00:47:44 -77.290086 0.000126 LBFGSLineSearch: 17 00:47:45 -77.290086 0.000069 LBFGSLineSearch: 18 00:47:45 -77.290086 0.000043 LBFGSLineSearch: 19 00:47:46 -77.290086 0.000007 Minimization converged after 19 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:47:53 -77.722082 0.030863 LBFGSLineSearch: 1 00:47:53 -77.722100 0.043114 LBFGSLineSearch: 2 00:47:54 -77.722145 0.090836 LBFGSLineSearch: 3 00:47:54 -77.722161 0.031473 LBFGSLineSearch: 4 00:47:55 -77.722164 0.006033 LBFGSLineSearch: 5 00:47:55 -77.722164 0.008997 LBFGSLineSearch: 6 00:47:55 -77.722169 0.006699 LBFGSLineSearch: 7 00:47:56 -77.722171 0.005122 LBFGSLineSearch: 8 00:47:56 -77.722177 0.009550 LBFGSLineSearch: 9 00:47:57 -77.722180 0.004126 LBFGSLineSearch: 10 00:47:57 -77.722181 0.002397 LBFGSLineSearch: 11 00:47:57 -77.722181 0.002280 LBFGSLineSearch: 12 00:47:58 -77.722181 0.001093 LBFGSLineSearch: 13 00:47:58 -77.722181 0.001253 LBFGSLineSearch: 14 00:47:59 -77.722181 0.000506 LBFGSLineSearch: 15 00:47:59 -77.722181 0.000279 LBFGSLineSearch: 16 00:47:59 -77.722181 0.000105 LBFGSLineSearch: 17 00:48:00 -77.722181 0.000068 LBFGSLineSearch: 18 00:48:00 -77.722181 0.000039 LBFGSLineSearch: 19 00:48:02 -77.722181 0.000001 Minimization converged after 19 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:11 -78.154377 0.030872 LBFGSLineSearch: 1 00:48:11 -78.154395 0.043108 LBFGSLineSearch: 2 00:48:12 -78.154440 0.091131 LBFGSLineSearch: 3 00:48:13 -78.154457 0.031566 LBFGSLineSearch: 4 00:48:13 -78.154460 0.006070 LBFGSLineSearch: 5 00:48:14 -78.154460 0.009029 LBFGSLineSearch: 6 00:48:14 -78.154464 0.006661 LBFGSLineSearch: 7 00:48:14 -78.154467 0.005084 LBFGSLineSearch: 8 00:48:15 -78.154473 0.009692 LBFGSLineSearch: 9 00:48:15 -78.154475 0.004153 LBFGSLineSearch: 10 00:48:16 -78.154476 0.002446 LBFGSLineSearch: 11 00:48:16 -78.154477 0.002304 LBFGSLineSearch: 12 00:48:17 -78.154477 0.001098 LBFGSLineSearch: 13 00:48:17 -78.154477 0.001268 LBFGSLineSearch: 14 00:48:18 -78.154477 0.000511 LBFGSLineSearch: 15 00:48:18 -78.154477 0.000292 LBFGSLineSearch: 16 00:48:19 -78.154477 0.000095 LBFGSLineSearch: 17 00:48:19 -78.154477 0.000069 LBFGSLineSearch: 18 00:48:20 -78.154477 0.000036 LBFGSLineSearch: 19 00:48:20 -78.154477 0.000001 Minimization converged after 19 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:27 -78.586873 0.030886 LBFGSLineSearch: 1 00:48:27 -78.586891 0.043099 LBFGSLineSearch: 2 00:48:28 -78.586936 0.091436 LBFGSLineSearch: 3 00:48:28 -78.586953 0.031664 LBFGSLineSearch: 4 00:48:29 -78.586956 0.006115 LBFGSLineSearch: 5 00:48:29 -78.586956 0.009050 LBFGSLineSearch: 6 00:48:30 -78.586960 0.006610 LBFGSLineSearch: 7 00:48:31 -78.586963 0.005037 LBFGSLineSearch: 8 00:48:31 -78.586969 0.009996 LBFGSLineSearch: 9 00:48:31 -78.586971 0.004156 LBFGSLineSearch: 10 00:48:32 -78.586972 0.002555 LBFGSLineSearch: 11 00:48:33 -78.586973 0.002351 LBFGSLineSearch: 12 00:48:33 -78.586973 0.001102 LBFGSLineSearch: 13 00:48:34 -78.586973 0.001309 LBFGSLineSearch: 14 00:48:34 -78.586973 0.000517 LBFGSLineSearch: 15 00:48:34 -78.586973 0.000310 LBFGSLineSearch: 16 00:48:35 -78.586973 0.000091 LBFGSLineSearch: 17 00:48:36 -78.586973 0.000069 LBFGSLineSearch: 18 00:48:36 -78.586973 0.000033 LBFGSLineSearch: 19 00:48:37 -78.586973 0.000003 Minimization converged after 19 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:48:44 -79.019570 0.030901 LBFGSLineSearch: 1 00:48:45 -79.019588 0.043095 LBFGSLineSearch: 2 00:48:46 -79.019633 0.091762 LBFGSLineSearch: 3 00:48:47 -79.019650 0.031743 LBFGSLineSearch: 4 00:48:47 -79.019653 0.006172 LBFGSLineSearch: 5 00:48:47 -79.019653 0.009092 LBFGSLineSearch: 6 00:48:47 -79.019658 0.006598 LBFGSLineSearch: 7 00:48:48 -79.019661 0.005012 LBFGSLineSearch: 8 00:48:48 -79.019666 0.010138 LBFGSLineSearch: 9 00:48:48 -79.019669 0.004155 LBFGSLineSearch: 10 00:48:49 -79.019670 0.002643 LBFGSLineSearch: 11 00:48:49 -79.019670 0.002395 LBFGSLineSearch: 12 00:48:50 -79.019670 0.001109 LBFGSLineSearch: 13 00:48:51 -79.019670 0.001342 LBFGSLineSearch: 14 00:48:52 -79.019670 0.000524 LBFGSLineSearch: 15 00:48:53 -79.019670 0.000322 LBFGSLineSearch: 16 00:48:53 -79.019670 0.000083 LBFGSLineSearch: 17 00:48:54 -79.019670 0.000070 LBFGSLineSearch: 18 00:48:55 -79.019670 0.000033 LBFGSLineSearch: 19 00:48:56 -79.019670 0.000016 LBFGSLineSearch: 20 00:48:57 -79.019670 0.000001 Minimization converged after 20 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:04 -79.452469 0.030915 LBFGSLineSearch: 1 00:49:04 -79.452487 0.043089 LBFGSLineSearch: 2 00:49:05 -79.452532 0.092085 LBFGSLineSearch: 3 00:49:06 -79.452549 0.031828 LBFGSLineSearch: 4 00:49:06 -79.452552 0.006227 LBFGSLineSearch: 5 00:49:07 -79.452553 0.009142 LBFGSLineSearch: 6 00:49:08 -79.452557 0.006591 LBFGSLineSearch: 7 00:49:08 -79.452560 0.004985 LBFGSLineSearch: 8 00:49:09 -79.452566 0.010137 LBFGSLineSearch: 9 00:49:09 -79.452568 0.004132 LBFGSLineSearch: 10 00:49:10 -79.452569 0.002710 LBFGSLineSearch: 11 00:49:10 -79.452569 0.002428 LBFGSLineSearch: 12 00:49:10 -79.452569 0.001116 LBFGSLineSearch: 13 00:49:11 -79.452569 0.001366 LBFGSLineSearch: 14 00:49:11 -79.452570 0.000529 LBFGSLineSearch: 15 00:49:12 -79.452570 0.000332 LBFGSLineSearch: 16 00:49:12 -79.452570 0.000076 LBFGSLineSearch: 17 00:49:12 -79.452570 0.000070 LBFGSLineSearch: 18 00:49:13 -79.452570 0.000036 LBFGSLineSearch: 19 00:49:13 -79.452570 0.000018 LBFGSLineSearch: 20 00:49:13 -79.452570 0.000002 Minimization converged after 20 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:20 -79.885570 0.030929 LBFGSLineSearch: 1 00:49:21 -79.885589 0.043084 LBFGSLineSearch: 2 00:49:22 -79.885634 0.092409 LBFGSLineSearch: 3 00:49:23 -79.885651 0.031910 LBFGSLineSearch: 4 00:49:23 -79.885654 0.006284 LBFGSLineSearch: 5 00:49:24 -79.885654 0.009192 LBFGSLineSearch: 6 00:49:24 -79.885659 0.006584 LBFGSLineSearch: 7 00:49:25 -79.885662 0.004959 LBFGSLineSearch: 8 00:49:26 -79.885668 0.010185 LBFGSLineSearch: 9 00:49:26 -79.885670 0.004121 LBFGSLineSearch: 10 00:49:27 -79.885671 0.002777 LBFGSLineSearch: 11 00:49:27 -79.885671 0.002460 LBFGSLineSearch: 12 00:49:28 -79.885671 0.001122 LBFGSLineSearch: 13 00:49:29 -79.885671 0.001390 LBFGSLineSearch: 14 00:49:30 -79.885672 0.000536 LBFGSLineSearch: 15 00:49:31 -79.885672 0.000341 LBFGSLineSearch: 16 00:49:31 -79.885672 0.000067 LBFGSLineSearch: 17 00:49:31 -79.885672 0.000068 LBFGSLineSearch: 18 00:49:32 -79.885672 0.000040 LBFGSLineSearch: 19 00:49:33 -79.885672 0.000002 Minimization converged after 19 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:49:41 -80.318875 0.030944 LBFGSLineSearch: 1 00:49:42 -80.318894 0.043079 LBFGSLineSearch: 2 00:49:43 -80.318939 0.092738 LBFGSLineSearch: 3 00:49:45 -80.318957 0.032000 LBFGSLineSearch: 4 00:49:45 -80.318960 0.006342 LBFGSLineSearch: 5 00:49:48 -80.318960 0.009242 LBFGSLineSearch: 6 00:49:50 -80.318965 0.006579 LBFGSLineSearch: 7 00:49:53 -80.318967 0.004932 LBFGSLineSearch: 8 00:49:55 -80.318973 0.010207 LBFGSLineSearch: 9 00:49:56 -80.318975 0.004108 LBFGSLineSearch: 10 00:49:56 -80.318976 0.002838 LBFGSLineSearch: 11 00:49:56 -80.318977 0.002486 LBFGSLineSearch: 12 00:49:57 -80.318977 0.001127 LBFGSLineSearch: 13 00:49:57 -80.318977 0.001410 LBFGSLineSearch: 14 00:49:57 -80.318977 0.000542 LBFGSLineSearch: 15 00:49:58 -80.318977 0.000350 LBFGSLineSearch: 16 00:49:58 -80.318977 0.000058 LBFGSLineSearch: 17 00:49:59 -80.318977 0.000060 LBFGSLineSearch: 18 00:50:00 -80.318977 0.000050 LBFGSLineSearch: 19 00:50:00 -80.318977 0.000002 Minimization converged after 19 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:07 -80.752385 0.030959 LBFGSLineSearch: 1 00:50:07 -80.752403 0.043073 LBFGSLineSearch: 2 00:50:08 -80.752449 0.093075 LBFGSLineSearch: 3 00:50:08 -80.752466 0.032091 LBFGSLineSearch: 4 00:50:09 -80.752469 0.006401 LBFGSLineSearch: 5 00:50:10 -80.752470 0.009292 LBFGSLineSearch: 6 00:50:10 -80.752475 0.006574 LBFGSLineSearch: 7 00:50:11 -80.752477 0.004907 LBFGSLineSearch: 8 00:50:11 -80.752483 0.010244 LBFGSLineSearch: 9 00:50:12 -80.752486 0.004257 LBFGSLineSearch: 10 00:50:12 -80.752487 0.000817 LBFGSLineSearch: 11 00:50:13 -80.752487 0.000649 LBFGSLineSearch: 12 00:50:13 -80.752487 0.001522 LBFGSLineSearch: 13 00:50:13 -80.752487 0.000357 LBFGSLineSearch: 14 00:50:14 -80.752487 0.000407 LBFGSLineSearch: 15 00:50:14 -80.752487 0.000060 LBFGSLineSearch: 16 00:50:15 -80.752487 0.000042 LBFGSLineSearch: 17 00:50:15 -80.752487 0.000011 LBFGSLineSearch: 18 00:50:16 -80.752487 0.000002 Minimization converged after 18 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:23 -81.186099 0.030973 LBFGSLineSearch: 1 00:50:23 -81.186118 0.043066 LBFGSLineSearch: 2 00:50:24 -81.186164 0.093407 LBFGSLineSearch: 3 00:50:24 -81.186181 0.032175 LBFGSLineSearch: 4 00:50:24 -81.186184 0.006453 LBFGSLineSearch: 5 00:50:25 -81.186185 0.009361 LBFGSLineSearch: 6 00:50:25 -81.186190 0.006574 LBFGSLineSearch: 7 00:50:25 -81.186192 0.004890 LBFGSLineSearch: 8 00:50:26 -81.186198 0.010149 LBFGSLineSearch: 9 00:50:26 -81.186201 0.004299 LBFGSLineSearch: 10 00:50:27 -81.186202 0.000821 LBFGSLineSearch: 11 00:50:27 -81.186202 0.000650 LBFGSLineSearch: 12 00:50:27 -81.186202 0.001552 LBFGSLineSearch: 13 00:50:28 -81.186202 0.000380 LBFGSLineSearch: 14 00:50:28 -81.186202 0.000361 LBFGSLineSearch: 15 00:50:29 -81.186202 0.000060 LBFGSLineSearch: 16 00:50:31 -81.186202 0.000041 LBFGSLineSearch: 17 00:50:32 -81.186202 0.000014 LBFGSLineSearch: 18 00:50:32 -81.186202 0.000002 Minimization converged after 18 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:41 -81.620020 0.030988 LBFGSLineSearch: 1 00:50:41 -81.620039 0.043060 LBFGSLineSearch: 2 00:50:42 -81.620085 0.093744 LBFGSLineSearch: 3 00:50:43 -81.620102 0.032269 LBFGSLineSearch: 4 00:50:44 -81.620106 0.006512 LBFGSLineSearch: 5 00:50:44 -81.620106 0.009418 LBFGSLineSearch: 6 00:50:44 -81.620111 0.006571 LBFGSLineSearch: 7 00:50:45 -81.620114 0.004868 LBFGSLineSearch: 8 00:50:45 -81.620119 0.010113 LBFGSLineSearch: 9 00:50:46 -81.620122 0.004363 LBFGSLineSearch: 10 00:50:46 -81.620123 0.000830 LBFGSLineSearch: 11 00:50:47 -81.620123 0.000666 LBFGSLineSearch: 12 00:50:47 -81.620123 0.001553 LBFGSLineSearch: 13 00:50:48 -81.620123 0.000387 LBFGSLineSearch: 14 00:50:48 -81.620123 0.000335 LBFGSLineSearch: 15 00:50:49 -81.620123 0.000058 LBFGSLineSearch: 16 00:50:49 -81.620123 0.000039 LBFGSLineSearch: 17 00:50:50 -81.620123 0.000018 LBFGSLineSearch: 18 00:50:50 -81.620123 0.000001 Minimization converged after 18 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:50:57 -82.054147 0.031003 LBFGSLineSearch: 1 00:50:57 -82.054166 0.043054 LBFGSLineSearch: 2 00:50:57 -82.054212 0.094080 LBFGSLineSearch: 3 00:50:58 -82.054230 0.032365 LBFGSLineSearch: 4 00:50:59 -82.054234 0.006570 LBFGSLineSearch: 5 00:50:59 -82.054234 0.009477 LBFGSLineSearch: 6 00:51:00 -82.054239 0.006567 LBFGSLineSearch: 7 00:51:01 -82.054242 0.004847 LBFGSLineSearch: 8 00:51:02 -82.054247 0.010064 LBFGSLineSearch: 9 00:51:03 -82.054250 0.004417 LBFGSLineSearch: 10 00:51:03 -82.054251 0.000832 LBFGSLineSearch: 11 00:51:04 -82.054251 0.000664 LBFGSLineSearch: 12 00:51:05 -82.054251 0.001555 LBFGSLineSearch: 13 00:51:06 -82.054251 0.000402 LBFGSLineSearch: 14 00:51:06 -82.054251 0.000325 LBFGSLineSearch: 15 00:51:07 -82.054251 0.000056 LBFGSLineSearch: 16 00:51:09 -82.054251 0.000038 LBFGSLineSearch: 17 00:51:10 -82.054251 0.000020 LBFGSLineSearch: 18 00:51:11 -82.054251 0.000002 Minimization converged after 18 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:19 -82.488483 0.031017 LBFGSLineSearch: 1 00:51:19 -82.488502 0.043048 LBFGSLineSearch: 2 00:51:19 -82.488548 0.094424 LBFGSLineSearch: 3 00:51:20 -82.488566 0.032461 LBFGSLineSearch: 4 00:51:20 -82.488569 0.006631 LBFGSLineSearch: 5 00:51:21 -82.488570 0.009538 LBFGSLineSearch: 6 00:51:21 -82.488575 0.006564 LBFGSLineSearch: 7 00:51:21 -82.488577 0.004821 LBFGSLineSearch: 8 00:51:22 -82.488583 0.010046 LBFGSLineSearch: 9 00:51:22 -82.488586 0.004471 LBFGSLineSearch: 10 00:51:23 -82.488587 0.000843 LBFGSLineSearch: 11 00:51:23 -82.488587 0.000680 LBFGSLineSearch: 12 00:51:24 -82.488587 0.001372 LBFGSLineSearch: 13 00:51:24 -82.488587 0.000351 LBFGSLineSearch: 14 00:51:26 -82.488587 0.000266 LBFGSLineSearch: 15 00:51:26 -82.488587 0.000051 LBFGSLineSearch: 16 00:51:26 -82.488587 0.000035 LBFGSLineSearch: 17 00:51:27 -82.488587 0.000011 LBFGSLineSearch: 18 00:51:27 -82.488587 0.000002 Minimization converged after 18 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:34 -82.923027 0.031032 LBFGSLineSearch: 1 00:51:34 -82.923046 0.043067 LBFGSLineSearch: 2 00:51:34 -82.923092 0.094860 LBFGSLineSearch: 3 00:51:35 -82.923111 0.032608 LBFGSLineSearch: 4 00:51:35 -82.923114 0.006739 LBFGSLineSearch: 5 00:51:36 -82.923114 0.009506 LBFGSLineSearch: 6 00:51:36 -82.923119 0.006533 LBFGSLineSearch: 7 00:51:36 -82.923122 0.004742 LBFGSLineSearch: 8 00:51:37 -82.923127 0.009606 LBFGSLineSearch: 9 00:51:37 -82.923130 0.003659 LBFGSLineSearch: 10 00:51:38 -82.923131 0.000905 LBFGSLineSearch: 11 00:51:39 -82.923131 0.000705 LBFGSLineSearch: 12 00:51:39 -82.923131 0.001471 LBFGSLineSearch: 13 00:51:40 -82.923131 0.000415 LBFGSLineSearch: 14 00:51:41 -82.923131 0.000286 LBFGSLineSearch: 15 00:51:41 -82.923131 0.000055 LBFGSLineSearch: 16 00:51:42 -82.923131 0.000037 LBFGSLineSearch: 17 00:51:42 -82.923131 0.000011 LBFGSLineSearch: 18 00:51:43 -82.923131 0.000001 Minimization converged after 18 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:51:52 -83.357781 0.031047 LBFGSLineSearch: 1 00:51:52 -83.357799 0.043053 LBFGSLineSearch: 2 00:51:53 -83.357846 0.095184 LBFGSLineSearch: 3 00:51:53 -83.357865 0.032698 LBFGSLineSearch: 4 00:51:53 -83.357868 0.006779 LBFGSLineSearch: 5 00:51:54 -83.357868 0.009612 LBFGSLineSearch: 6 00:51:54 -83.357873 0.006543 LBFGSLineSearch: 7 00:51:55 -83.357876 0.004748 LBFGSLineSearch: 8 00:51:56 -83.357882 0.009732 LBFGSLineSearch: 9 00:51:57 -83.357884 0.004056 LBFGSLineSearch: 10 00:51:59 -83.357885 0.000892 LBFGSLineSearch: 11 00:52:00 -83.357885 0.000709 LBFGSLineSearch: 12 00:52:01 -83.357886 0.001417 LBFGSLineSearch: 13 00:52:01 -83.357886 0.000401 LBFGSLineSearch: 14 00:52:02 -83.357886 0.000257 LBFGSLineSearch: 15 00:52:02 -83.357886 0.000049 LBFGSLineSearch: 16 00:52:03 -83.357886 0.000034 LBFGSLineSearch: 17 00:52:04 -83.357886 0.000013 LBFGSLineSearch: 18 00:52:04 -83.357886 0.000001 Minimization converged after 18 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:10 -83.792745 0.031062 LBFGSLineSearch: 1 00:52:10 -83.792764 0.043049 LBFGSLineSearch: 2 00:52:11 -83.792811 0.095541 LBFGSLineSearch: 3 00:52:11 -83.792829 0.032807 LBFGSLineSearch: 4 00:52:12 -83.792833 0.006846 LBFGSLineSearch: 5 00:52:13 -83.792833 0.009671 LBFGSLineSearch: 6 00:52:13 -83.792838 0.006540 LBFGSLineSearch: 7 00:52:13 -83.792841 0.004723 LBFGSLineSearch: 8 00:52:14 -83.792846 0.009532 LBFGSLineSearch: 9 00:52:14 -83.792849 0.003890 LBFGSLineSearch: 10 00:52:15 -83.792850 0.000912 LBFGSLineSearch: 11 00:52:16 -83.792850 0.000713 LBFGSLineSearch: 12 00:52:17 -83.792850 0.001517 LBFGSLineSearch: 13 00:52:17 -83.792850 0.000430 LBFGSLineSearch: 14 00:52:18 -83.792850 0.000292 LBFGSLineSearch: 15 00:52:19 -83.792850 0.000045 LBFGSLineSearch: 16 00:52:19 -83.792850 0.000032 LBFGSLineSearch: 17 00:52:20 -83.792850 0.000016 LBFGSLineSearch: 18 00:52:21 -83.792850 0.000001 Minimization converged after 18 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:28 -84.227921 0.031077 LBFGSLineSearch: 1 00:52:29 -84.227940 0.043040 LBFGSLineSearch: 2 00:52:29 -84.227987 0.095888 LBFGSLineSearch: 3 00:52:30 -84.228006 0.032910 LBFGSLineSearch: 4 00:52:30 -84.228009 0.006903 LBFGSLineSearch: 5 00:52:31 -84.228009 0.009748 LBFGSLineSearch: 6 00:52:31 -84.228015 0.006546 LBFGSLineSearch: 7 00:52:32 -84.228017 0.004713 LBFGSLineSearch: 8 00:52:33 -84.228023 0.009520 LBFGSLineSearch: 9 00:52:33 -84.228025 0.003938 LBFGSLineSearch: 10 00:52:34 -84.228027 0.000915 LBFGSLineSearch: 11 00:52:35 -84.228027 0.000710 LBFGSLineSearch: 12 00:52:36 -84.228027 0.001477 LBFGSLineSearch: 13 00:52:37 -84.228027 0.000413 LBFGSLineSearch: 14 00:52:40 -84.228027 0.000285 LBFGSLineSearch: 15 00:52:40 -84.228027 0.000044 LBFGSLineSearch: 16 00:52:41 -84.228027 0.000033 LBFGSLineSearch: 17 00:52:41 -84.228027 0.000018 LBFGSLineSearch: 18 00:52:42 -84.228027 0.000000 Minimization converged after 18 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:52:49 -84.663309 0.031092 LBFGSLineSearch: 1 00:52:49 -84.663328 0.043030 LBFGSLineSearch: 2 00:52:49 -84.663376 0.096235 LBFGSLineSearch: 3 00:52:49 -84.663395 0.033015 LBFGSLineSearch: 4 00:52:50 -84.663398 0.006963 LBFGSLineSearch: 5 00:52:50 -84.663398 0.009828 LBFGSLineSearch: 6 00:52:50 -84.663404 0.006552 LBFGSLineSearch: 7 00:52:51 -84.663407 0.004698 LBFGSLineSearch: 8 00:52:51 -84.663412 0.009429 LBFGSLineSearch: 9 00:52:51 -84.663414 0.003974 LBFGSLineSearch: 10 00:52:52 -84.663416 0.000922 LBFGSLineSearch: 11 00:52:53 -84.663416 0.000715 LBFGSLineSearch: 12 00:52:53 -84.663416 0.001532 LBFGSLineSearch: 13 00:52:54 -84.663416 0.000442 LBFGSLineSearch: 14 00:52:55 -84.663416 0.000280 LBFGSLineSearch: 15 00:52:55 -84.663416 0.000041 LBFGSLineSearch: 16 00:52:57 -84.663416 0.000030 LBFGSLineSearch: 17 00:52:57 -84.663416 0.000021 LBFGSLineSearch: 18 00:52:58 -84.663416 0.000000 Minimization converged after 18 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:05 -85.098912 0.031107 LBFGSLineSearch: 1 00:53:05 -85.098931 0.043025 LBFGSLineSearch: 2 00:53:06 -85.098978 0.096599 LBFGSLineSearch: 3 00:53:07 -85.098997 0.033131 LBFGSLineSearch: 4 00:53:07 -85.099001 0.007031 LBFGSLineSearch: 5 00:53:08 -85.099001 0.009897 LBFGSLineSearch: 6 00:53:08 -85.099006 0.006544 LBFGSLineSearch: 7 00:53:09 -85.099009 0.004670 LBFGSLineSearch: 8 00:53:10 -85.099014 0.009245 LBFGSLineSearch: 9 00:53:10 -85.099017 0.003888 LBFGSLineSearch: 10 00:53:10 -85.099018 0.000934 LBFGSLineSearch: 11 00:53:11 -85.099018 0.000716 LBFGSLineSearch: 12 00:53:11 -85.099019 0.001502 LBFGSLineSearch: 13 00:53:12 -85.099019 0.000408 LBFGSLineSearch: 14 00:53:13 -85.099019 0.000298 LBFGSLineSearch: 15 00:53:14 -85.099019 0.000038 LBFGSLineSearch: 16 00:53:15 -85.099019 0.000029 LBFGSLineSearch: 17 00:53:15 -85.099019 0.000023 LBFGSLineSearch: 18 00:53:16 -85.099019 0.000001 Minimization converged after 18 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:23 -85.534728 0.031122 LBFGSLineSearch: 1 00:53:23 -85.534747 0.043022 LBFGSLineSearch: 2 00:53:23 -85.534795 0.096979 LBFGSLineSearch: 3 00:53:24 -85.534814 0.033253 LBFGSLineSearch: 4 00:53:24 -85.534818 0.007099 LBFGSLineSearch: 5 00:53:25 -85.534818 0.009965 LBFGSLineSearch: 6 00:53:26 -85.534824 0.006553 LBFGSLineSearch: 7 00:53:27 -85.534827 0.004658 LBFGSLineSearch: 8 00:53:27 -85.534832 0.009049 LBFGSLineSearch: 9 00:53:28 -85.534834 0.003716 LBFGSLineSearch: 10 00:53:28 -85.534836 0.000950 LBFGSLineSearch: 11 00:53:28 -85.534836 0.000716 LBFGSLineSearch: 12 00:53:29 -85.534836 0.001590 LBFGSLineSearch: 13 00:53:30 -85.534836 0.000445 LBFGSLineSearch: 14 00:53:30 -85.534836 0.000296 LBFGSLineSearch: 15 00:53:31 -85.534836 0.000036 LBFGSLineSearch: 16 00:53:32 -85.534836 0.000028 LBFGSLineSearch: 17 00:53:33 -85.534836 0.000027 LBFGSLineSearch: 18 00:53:34 -85.534836 0.000001 Minimization converged after 18 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:53:43 -85.970761 0.031138 LBFGSLineSearch: 1 00:53:45 -85.970780 0.043022 LBFGSLineSearch: 2 00:53:48 -85.970828 0.097367 LBFGSLineSearch: 3 00:53:49 -85.970848 0.033384 LBFGSLineSearch: 4 00:53:50 -85.970851 0.007172 LBFGSLineSearch: 5 00:53:53 -85.970851 0.010026 LBFGSLineSearch: 6 00:53:55 -85.970857 0.006550 LBFGSLineSearch: 7 00:53:58 -85.970860 0.004627 LBFGSLineSearch: 8 00:54:01 -85.970865 0.008781 LBFGSLineSearch: 9 00:54:04 -85.970867 0.003470 LBFGSLineSearch: 10 00:54:07 -85.970869 0.000968 LBFGSLineSearch: 11 00:54:08 -85.970869 0.000706 LBFGSLineSearch: 12 00:54:09 -85.970869 0.001647 LBFGSLineSearch: 13 00:54:10 -85.970869 0.000459 LBFGSLineSearch: 14 00:54:11 -85.970869 0.000347 LBFGSLineSearch: 15 00:54:13 -85.970869 0.000036 LBFGSLineSearch: 16 00:54:16 -85.970869 0.000028 LBFGSLineSearch: 17 00:54:19 -85.970869 0.000031 LBFGSLineSearch: 18 00:54:22 -85.970869 0.000002 Minimization converged after 18 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:54:31 -86.407010 0.031154 LBFGSLineSearch: 1 00:54:33 -86.407030 0.043025 LBFGSLineSearch: 2 00:54:35 -86.407077 0.097783 LBFGSLineSearch: 3 00:54:37 -86.407097 0.033527 LBFGSLineSearch: 4 00:54:38 -86.407101 0.007251 LBFGSLineSearch: 5 00:54:40 -86.407101 0.010080 LBFGSLineSearch: 6 00:54:42 -86.407107 0.006553 LBFGSLineSearch: 7 00:54:47 -86.407110 0.004599 LBFGSLineSearch: 8 00:54:51 -86.407114 0.008396 LBFGSLineSearch: 9 00:54:52 -86.407117 0.003128 LBFGSLineSearch: 10 00:54:53 -86.407119 0.000987 LBFGSLineSearch: 11 00:54:56 -86.407119 0.000686 LBFGSLineSearch: 12 00:54:57 -86.407119 0.001784 LBFGSLineSearch: 13 00:54:58 -86.407119 0.000523 LBFGSLineSearch: 14 00:54:59 -86.407119 0.000358 LBFGSLineSearch: 15 00:54:59 -86.407119 0.000035 LBFGSLineSearch: 16 00:55:01 -86.407119 0.000027 LBFGSLineSearch: 17 00:55:03 -86.407119 0.000038 LBFGSLineSearch: 18 00:55:06 -86.407119 0.000002 Minimization converged after 18 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:14 -86.843478 0.031170 LBFGSLineSearch: 1 00:55:16 -86.843497 0.043029 LBFGSLineSearch: 2 00:55:18 -86.843545 0.098197 LBFGSLineSearch: 3 00:55:20 -86.843565 0.033676 LBFGSLineSearch: 4 00:55:22 -86.843569 0.007335 LBFGSLineSearch: 5 00:55:22 -86.843569 0.010132 LBFGSLineSearch: 6 00:55:23 -86.843575 0.006547 LBFGSLineSearch: 7 00:55:23 -86.843578 0.004561 LBFGSLineSearch: 8 00:55:24 -86.843582 0.007922 LBFGSLineSearch: 9 00:55:24 -86.843585 0.002852 LBFGSLineSearch: 10 00:55:26 -86.843587 0.001005 LBFGSLineSearch: 11 00:55:27 -86.843587 0.000672 LBFGSLineSearch: 12 00:55:30 -86.843587 0.001890 LBFGSLineSearch: 13 00:55:31 -86.843587 0.000606 LBFGSLineSearch: 14 00:55:32 -86.843587 0.000313 LBFGSLineSearch: 15 00:55:34 -86.843587 0.000030 LBFGSLineSearch: 16 00:55:37 -86.843587 0.000026 LBFGSLineSearch: 17 00:55:40 -86.843587 0.000047 LBFGSLineSearch: 18 00:55:43 -86.843587 0.000003 Minimization converged after 18 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:55:54 -87.280164 0.031186 LBFGSLineSearch: 1 00:55:56 -87.280184 0.043036 LBFGSLineSearch: 2 00:55:57 -87.280232 0.098628 LBFGSLineSearch: 3 00:55:59 -87.280252 0.033838 LBFGSLineSearch: 4 00:56:01 -87.280256 0.007417 LBFGSLineSearch: 5 00:56:05 -87.280256 0.010185 LBFGSLineSearch: 6 00:56:07 -87.280262 0.006549 LBFGSLineSearch: 7 00:56:09 -87.280265 0.004532 LBFGSLineSearch: 8 00:56:13 -87.280269 0.007443 LBFGSLineSearch: 9 00:56:16 -87.280272 0.002809 LBFGSLineSearch: 10 00:56:17 -87.280274 0.001019 LBFGSLineSearch: 11 00:56:18 -87.280274 0.000694 LBFGSLineSearch: 12 00:56:20 -87.280274 0.002114 LBFGSLineSearch: 13 00:56:21 -87.280274 0.000753 LBFGSLineSearch: 14 00:56:22 -87.280274 0.000226 LBFGSLineSearch: 15 00:56:23 -87.280274 0.000071 LBFGSLineSearch: 16 00:56:24 -87.280274 0.000040 LBFGSLineSearch: 17 00:56:26 -87.280274 0.000009 Minimization converged after 17 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:56:36 -87.717071 0.031209 LBFGSLineSearch: 1 00:56:37 -87.717091 0.043007 LBFGSLineSearch: 2 00:56:37 -87.717139 0.098935 LBFGSLineSearch: 3 00:56:38 -87.717160 0.033909 LBFGSLineSearch: 4 00:56:38 -87.717163 0.007448 LBFGSLineSearch: 5 00:56:40 -87.717164 0.010343 LBFGSLineSearch: 6 00:56:41 -87.717170 0.006568 LBFGSLineSearch: 7 00:56:42 -87.717173 0.004556 LBFGSLineSearch: 8 00:56:43 -87.717177 0.008073 LBFGSLineSearch: 9 00:56:43 -87.717180 0.003107 LBFGSLineSearch: 10 00:56:45 -87.717181 0.001005 LBFGSLineSearch: 11 00:56:47 -87.717181 0.000697 LBFGSLineSearch: 12 00:56:49 -87.717182 0.001840 LBFGSLineSearch: 13 00:56:50 -87.717182 0.000564 LBFGSLineSearch: 14 00:56:51 -87.717182 0.000335 LBFGSLineSearch: 15 00:56:52 -87.717182 0.000027 LBFGSLineSearch: 16 00:56:54 -87.717182 0.000023 LBFGSLineSearch: 17 00:56:54 -87.717182 0.000046 LBFGSLineSearch: 18 00:56:55 -87.717182 0.000007 Minimization converged after 18 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:57:05 -88.154200 0.031219 LBFGSLineSearch: 1 00:57:05 -88.154219 0.043084 LBFGSLineSearch: 2 00:57:06 -88.154267 0.099646 LBFGSLineSearch: 3 00:57:07 -88.154288 0.034247 LBFGSLineSearch: 4 00:57:08 -88.154292 0.007634 LBFGSLineSearch: 5 00:57:09 -88.154292 0.010210 LBFGSLineSearch: 6 00:57:09 -88.154299 0.006543 LBFGSLineSearch: 7 00:57:10 -88.154301 0.004418 LBFGSLineSearch: 8 00:57:10 -88.154304 0.003929 LBFGSLineSearch: 9 00:57:11 -88.154308 0.005041 LBFGSLineSearch: 10 00:57:11 -88.154310 0.002424 LBFGSLineSearch: 11 00:57:12 -88.154310 0.000884 LBFGSLineSearch: 12 00:57:13 -88.154310 0.000848 LBFGSLineSearch: 13 00:57:13 -88.154311 0.000705 LBFGSLineSearch: 14 00:57:13 -88.154311 0.000150 LBFGSLineSearch: 15 00:57:14 -88.154311 0.000139 LBFGSLineSearch: 16 00:57:14 -88.154311 0.000023 LBFGSLineSearch: 17 00:57:14 -88.154311 0.000050 LBFGSLineSearch: 18 00:57:15 -88.154311 0.000007 Minimization converged after 18 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:57:24 -88.591551 0.031236 LBFGSLineSearch: 1 00:57:25 -88.591570 0.042977 LBFGSLineSearch: 2 00:57:25 -88.591619 0.099848 LBFGSLineSearch: 3 00:57:26 -88.591640 0.034083 LBFGSLineSearch: 4 00:57:27 -88.591644 0.007459 LBFGSLineSearch: 5 00:57:28 -88.591644 0.010774 LBFGSLineSearch: 6 00:57:29 -88.591650 0.006628 LBFGSLineSearch: 7 00:57:29 -88.591653 0.004635 LBFGSLineSearch: 8 00:57:30 -88.591658 0.008501 LBFGSLineSearch: 9 00:57:31 -88.591661 0.005332 LBFGSLineSearch: 10 00:57:32 -88.591662 0.000898 LBFGSLineSearch: 11 00:57:32 -88.591662 0.000738 LBFGSLineSearch: 12 00:57:32 -88.591662 0.001597 LBFGSLineSearch: 13 00:57:33 -88.591662 0.000520 LBFGSLineSearch: 14 00:57:34 -88.591662 0.000172 LBFGSLineSearch: 15 00:57:35 -88.591662 0.000141 LBFGSLineSearch: 16 00:57:36 -88.591662 0.000022 LBFGSLineSearch: 17 00:57:36 -88.591662 0.000024 LBFGSLineSearch: 18 00:57:37 -88.591662 0.000007 Minimization converged after 18 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:57:45 -89.029126 0.031252 LBFGSLineSearch: 1 00:57:45 -89.029145 0.043067 LBFGSLineSearch: 2 00:57:46 -89.029194 0.100383 LBFGSLineSearch: 3 00:57:47 -89.029216 0.034469 LBFGSLineSearch: 4 00:57:47 -89.029219 0.007831 LBFGSLineSearch: 5 00:57:47 -89.029220 0.010311 LBFGSLineSearch: 6 00:57:48 -89.029226 0.006546 LBFGSLineSearch: 7 00:57:50 -89.029229 0.004341 LBFGSLineSearch: 8 00:57:52 -89.029232 0.004322 LBFGSLineSearch: 9 00:57:54 -89.029236 0.004620 LBFGSLineSearch: 10 00:57:55 -89.029237 0.002381 LBFGSLineSearch: 11 00:57:56 -89.029238 0.000918 LBFGSLineSearch: 12 00:57:57 -89.029238 0.000846 LBFGSLineSearch: 13 00:57:58 -89.029238 0.000606 LBFGSLineSearch: 14 00:57:59 -89.029238 0.000141 LBFGSLineSearch: 15 00:57:59 -89.029238 0.000108 LBFGSLineSearch: 16 00:58:00 -89.029238 0.000019 LBFGSLineSearch: 17 00:58:01 -89.029238 0.000029 LBFGSLineSearch: 18 00:58:01 -89.029238 0.000014 LBFGSLineSearch: 19 00:58:02 -89.029238 0.000000 Minimization converged after 19 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:58:14 -89.466926 0.031263 LBFGSLineSearch: 1 00:58:14 -89.466946 0.042983 LBFGSLineSearch: 2 00:58:15 -89.466995 0.100490 LBFGSLineSearch: 3 00:58:16 -89.467016 0.034467 LBFGSLineSearch: 4 00:58:16 -89.467020 0.007753 LBFGSLineSearch: 5 00:58:17 -89.467020 0.010673 LBFGSLineSearch: 6 00:58:19 -89.467027 0.006598 LBFGSLineSearch: 7 00:58:22 -89.467030 0.004477 LBFGSLineSearch: 8 00:58:23 -89.467034 0.007152 LBFGSLineSearch: 9 00:58:23 -89.467037 0.002911 LBFGSLineSearch: 10 00:58:24 -89.467039 0.001039 LBFGSLineSearch: 11 00:58:24 -89.467039 0.000769 LBFGSLineSearch: 12 00:58:25 -89.467039 0.002179 LBFGSLineSearch: 13 00:58:26 -89.467039 0.000858 LBFGSLineSearch: 14 00:58:26 -89.467039 0.000147 LBFGSLineSearch: 15 00:58:27 -89.467039 0.000214 LBFGSLineSearch: 16 00:58:27 -89.467039 0.000018 LBFGSLineSearch: 17 00:58:28 -89.467039 0.000028 LBFGSLineSearch: 18 00:58:29 -89.467039 0.000007 Minimization converged after 18 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:58:37 -89.904953 0.031285 LBFGSLineSearch: 1 00:58:38 -89.904973 0.043036 LBFGSLineSearch: 2 00:58:39 -89.905022 0.101166 LBFGSLineSearch: 3 00:58:40 -89.905044 0.034769 LBFGSLineSearch: 4 00:58:41 -89.905047 0.007887 LBFGSLineSearch: 5 00:58:41 -89.905048 0.010607 LBFGSLineSearch: 6 00:58:42 -89.905055 0.006577 LBFGSLineSearch: 7 00:58:43 -89.905057 0.004376 LBFGSLineSearch: 8 00:58:44 -89.905060 0.003877 LBFGSLineSearch: 9 00:58:45 -89.905064 0.004916 LBFGSLineSearch: 10 00:58:45 -89.905066 0.002463 LBFGSLineSearch: 11 00:58:46 -89.905066 0.000904 LBFGSLineSearch: 12 00:58:47 -89.905066 0.000848 LBFGSLineSearch: 13 00:58:47 -89.905067 0.000740 LBFGSLineSearch: 14 00:58:48 -89.905067 0.000145 LBFGSLineSearch: 15 00:58:49 -89.905067 0.000127 LBFGSLineSearch: 16 00:58:49 -89.905067 0.000016 LBFGSLineSearch: 17 00:58:49 -89.905067 0.000028 LBFGSLineSearch: 18 00:58:50 -89.905067 0.000018 LBFGSLineSearch: 19 00:58:51 -89.905067 0.000000 Minimization converged after 19 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:58:59 -90.343208 0.031296 LBFGSLineSearch: 1 00:58:59 -90.343228 0.042975 LBFGSLineSearch: 2 00:58:59 -90.343277 0.101380 LBFGSLineSearch: 3 00:59:01 -90.343299 0.034773 LBFGSLineSearch: 4 00:59:01 -90.343303 0.007880 LBFGSLineSearch: 5 00:59:02 -90.343303 0.010735 LBFGSLineSearch: 6 00:59:02 -90.343310 0.006558 LBFGSLineSearch: 7 00:59:02 -90.343313 0.004359 LBFGSLineSearch: 8 00:59:03 -90.343316 0.003863 LBFGSLineSearch: 9 00:59:03 -90.343319 0.004886 LBFGSLineSearch: 10 00:59:03 -90.343321 0.002494 LBFGSLineSearch: 11 00:59:03 -90.343322 0.000900 LBFGSLineSearch: 12 00:59:04 -90.343322 0.000844 LBFGSLineSearch: 13 00:59:04 -90.343322 0.000842 LBFGSLineSearch: 14 00:59:05 -90.343322 0.000147 LBFGSLineSearch: 15 00:59:05 -90.343322 0.000144 LBFGSLineSearch: 16 00:59:06 -90.343322 0.000015 LBFGSLineSearch: 17 00:59:06 -90.343322 0.000031 LBFGSLineSearch: 18 00:59:07 -90.343322 0.000019 LBFGSLineSearch: 19 00:59:08 -90.343322 0.000000 Minimization converged after 19 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:59:16 -90.781692 0.031312 LBFGSLineSearch: 1 00:59:16 -90.781712 0.042970 LBFGSLineSearch: 2 00:59:18 -90.781762 0.101857 LBFGSLineSearch: 3 00:59:19 -90.781784 0.034923 LBFGSLineSearch: 4 00:59:20 -90.781788 0.007934 LBFGSLineSearch: 5 00:59:21 -90.781788 0.010730 LBFGSLineSearch: 6 00:59:22 -90.781795 0.006536 LBFGSLineSearch: 7 00:59:24 -90.781798 0.004296 LBFGSLineSearch: 8 00:59:24 -90.781801 0.004312 LBFGSLineSearch: 9 00:59:25 -90.781805 0.004424 LBFGSLineSearch: 10 00:59:26 -90.781806 0.002461 LBFGSLineSearch: 11 00:59:26 -90.781807 0.000936 LBFGSLineSearch: 12 00:59:27 -90.781807 0.000855 LBFGSLineSearch: 13 00:59:28 -90.781807 0.000719 LBFGSLineSearch: 14 00:59:28 -90.781807 0.000137 LBFGSLineSearch: 15 00:59:29 -90.781807 0.000109 LBFGSLineSearch: 16 00:59:30 -90.781807 0.000013 LBFGSLineSearch: 17 00:59:30 -90.781807 0.000016 LBFGSLineSearch: 18 00:59:31 -90.781807 0.000025 LBFGSLineSearch: 19 00:59:31 -90.781807 0.000000 Minimization converged after 19 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 00:59:39 -91.220407 0.031329 LBFGSLineSearch: 1 00:59:39 -91.220427 0.042965 LBFGSLineSearch: 2 00:59:40 -91.220477 0.102345 LBFGSLineSearch: 3 00:59:40 -91.220500 0.035074 LBFGSLineSearch: 4 00:59:41 -91.220503 0.007982 LBFGSLineSearch: 5 00:59:42 -91.220504 0.010737 LBFGSLineSearch: 6 00:59:42 -91.220511 0.006519 LBFGSLineSearch: 7 00:59:43 -91.220514 0.004241 LBFGSLineSearch: 8 00:59:45 -91.220516 0.004826 LBFGSLineSearch: 9 00:59:48 -91.220521 0.003663 LBFGSLineSearch: 10 00:59:48 -91.220522 0.002291 LBFGSLineSearch: 11 00:59:49 -91.220523 0.001356 LBFGSLineSearch: 12 00:59:50 -91.220523 0.000880 LBFGSLineSearch: 13 00:59:51 -91.220523 0.000843 LBFGSLineSearch: 14 00:59:51 -91.220523 0.000661 LBFGSLineSearch: 15 00:59:52 -91.220523 0.000079 LBFGSLineSearch: 16 00:59:53 -91.220523 0.000014 LBFGSLineSearch: 17 00:59:54 -91.220523 0.000009 Minimization converged after 17 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:00:03 -91.659355 0.031353 LBFGSLineSearch: 1 01:00:04 -91.659375 0.043023 LBFGSLineSearch: 2 01:00:05 -91.659425 0.102850 LBFGSLineSearch: 3 01:00:05 -91.659448 0.035391 LBFGSLineSearch: 4 01:00:06 -91.659452 0.008206 LBFGSLineSearch: 5 01:00:07 -91.659452 0.010456 LBFGSLineSearch: 6 01:00:07 -91.659459 0.006475 LBFGSLineSearch: 7 01:00:07 -91.659462 0.004036 LBFGSLineSearch: 8 01:00:08 -91.659464 0.004581 LBFGSLineSearch: 9 01:00:09 -91.659469 0.002866 LBFGSLineSearch: 10 01:00:09 -91.659471 0.001402 LBFGSLineSearch: 11 01:00:11 -91.659471 0.001077 LBFGSLineSearch: 12 01:00:12 -91.659471 0.000875 LBFGSLineSearch: 13 01:00:12 -91.659471 0.000683 LBFGSLineSearch: 14 01:00:12 -91.659471 0.000737 LBFGSLineSearch: 15 01:00:13 -91.659471 0.000322 LBFGSLineSearch: 16 01:00:14 -91.659471 0.000145 LBFGSLineSearch: 17 01:00:14 -91.659471 0.000042 LBFGSLineSearch: 18 01:00:14 -91.659471 0.000020 LBFGSLineSearch: 19 01:00:15 -91.659471 0.000008 Minimization converged after 19 steps. Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:00:23 -92.098536 0.031364 LBFGSLineSearch: 1 01:00:24 -92.098556 0.042958 LBFGSLineSearch: 2 01:00:25 -92.098607 0.103328 LBFGSLineSearch: 3 01:00:26 -92.098630 0.035400 LBFGSLineSearch: 4 01:00:26 -92.098634 0.008096 LBFGSLineSearch: 5 01:00:27 -92.098634 0.010725 LBFGSLineSearch: 6 01:00:27 -92.098641 0.006476 LBFGSLineSearch: 7 01:00:28 -92.098644 0.004111 LBFGSLineSearch: 8 01:00:28 -92.098646 0.004882 LBFGSLineSearch: 9 01:00:29 -92.098651 0.002934 LBFGSLineSearch: 10 01:00:30 -92.098653 0.001074 LBFGSLineSearch: 11 01:00:30 -92.098653 0.000921 LBFGSLineSearch: 12 01:00:30 -92.098653 0.002667 LBFGSLineSearch: 13 01:00:31 -92.098654 0.000184 LBFGSLineSearch: 14 01:00:31 -92.098654 0.000029 LBFGSLineSearch: 15 01:00:32 -92.098654 0.000016 LBFGSLineSearch: 16 01:00:33 -92.098654 0.000004 Minimization converged after 16 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:00:44 -92.537953 0.031381 LBFGSLineSearch: 1 01:00:45 -92.537973 0.042958 LBFGSLineSearch: 2 01:00:48 -92.538024 0.103928 LBFGSLineSearch: 3 01:00:49 -92.538048 0.035561 LBFGSLineSearch: 4 01:00:49 -92.538051 0.008135 LBFGSLineSearch: 5 01:00:49 -92.538052 0.010746 LBFGSLineSearch: 6 01:00:50 -92.538059 0.006446 LBFGSLineSearch: 7 01:00:50 -92.538062 0.004054 LBFGSLineSearch: 8 01:00:50 -92.538064 0.004688 LBFGSLineSearch: 9 01:00:51 -92.538069 0.002926 LBFGSLineSearch: 10 01:00:51 -92.538071 0.001065 LBFGSLineSearch: 11 01:00:52 -92.538071 0.000961 LBFGSLineSearch: 12 01:00:52 -92.538071 0.002542 LBFGSLineSearch: 13 01:00:53 -92.538071 0.000181 LBFGSLineSearch: 14 01:00:53 -92.538071 0.000034 LBFGSLineSearch: 15 01:00:54 -92.538071 0.000014 LBFGSLineSearch: 16 01:00:54 -92.538071 0.000003 Minimization converged after 16 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:01:03 -92.977608 0.031397 LBFGSLineSearch: 1 01:01:04 -92.977627 0.042951 LBFGSLineSearch: 2 01:01:04 -92.977679 0.104460 LBFGSLineSearch: 3 01:01:06 -92.977702 0.035736 LBFGSLineSearch: 4 01:01:06 -92.977706 0.008189 LBFGSLineSearch: 5 01:01:07 -92.977707 0.010722 LBFGSLineSearch: 6 01:01:07 -92.977714 0.006416 LBFGSLineSearch: 7 01:01:08 -92.977717 0.003987 LBFGSLineSearch: 8 01:01:09 -92.977719 0.004454 LBFGSLineSearch: 9 01:01:09 -92.977724 0.002761 LBFGSLineSearch: 10 01:01:10 -92.977726 0.001502 LBFGSLineSearch: 11 01:01:11 -92.977726 0.001129 LBFGSLineSearch: 12 01:01:12 -92.977726 0.000915 LBFGSLineSearch: 13 01:01:13 -92.977726 0.000697 LBFGSLineSearch: 14 01:01:13 -92.977726 0.000739 LBFGSLineSearch: 15 01:01:14 -92.977726 0.000077 LBFGSLineSearch: 16 01:01:15 -92.977726 0.000010 Minimization converged after 16 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:01:24 -93.417501 0.031415 LBFGSLineSearch: 1 01:01:24 -93.417521 0.042940 LBFGSLineSearch: 2 01:01:25 -93.417572 0.104649 LBFGSLineSearch: 3 01:01:25 -93.417596 0.036076 LBFGSLineSearch: 4 01:01:26 -93.417600 0.008207 LBFGSLineSearch: 5 01:01:26 -93.417601 0.010729 LBFGSLineSearch: 6 01:01:26 -93.417608 0.006385 LBFGSLineSearch: 7 01:01:27 -93.417611 0.003946 LBFGSLineSearch: 8 01:01:27 -93.417613 0.004323 LBFGSLineSearch: 9 01:01:28 -93.417618 0.002670 LBFGSLineSearch: 10 01:01:28 -93.417619 0.001563 LBFGSLineSearch: 11 01:01:29 -93.417620 0.001202 LBFGSLineSearch: 12 01:01:29 -93.417620 0.000936 LBFGSLineSearch: 13 01:01:30 -93.417620 0.000669 LBFGSLineSearch: 14 01:01:30 -93.417620 0.000727 LBFGSLineSearch: 15 01:01:31 -93.417620 0.000077 LBFGSLineSearch: 16 01:01:31 -93.417620 0.000011 LBFGSLineSearch: 17 01:01:32 -93.417620 0.000022 LBFGSLineSearch: 18 01:01:32 -93.417620 0.000000 Minimization converged after 18 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:01:39 -93.857634 0.031430 LBFGSLineSearch: 1 01:01:40 -93.857654 0.042939 LBFGSLineSearch: 2 01:01:40 -93.857706 0.105535 LBFGSLineSearch: 3 01:01:42 -93.857730 0.036117 LBFGSLineSearch: 4 01:01:44 -93.857734 0.008317 LBFGSLineSearch: 5 01:01:45 -93.857735 0.010610 LBFGSLineSearch: 6 01:01:45 -93.857742 0.006362 LBFGSLineSearch: 7 01:01:46 -93.857745 0.003932 LBFGSLineSearch: 8 01:01:46 -93.857747 0.004024 LBFGSLineSearch: 9 01:01:47 -93.857752 0.002586 LBFGSLineSearch: 10 01:01:48 -93.857754 0.001989 LBFGSLineSearch: 11 01:01:50 -93.857754 0.000998 LBFGSLineSearch: 12 01:01:51 -93.857754 0.000770 LBFGSLineSearch: 13 01:01:52 -93.857755 0.000960 LBFGSLineSearch: 14 01:01:54 -93.857755 0.000176 LBFGSLineSearch: 15 01:01:55 -93.857755 0.000179 LBFGSLineSearch: 16 01:01:56 -93.857755 0.000008 Minimization converged after 16 steps. Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:02:03 -94.298010 0.031449 LBFGSLineSearch: 1 01:02:04 -94.298030 0.042964 LBFGSLineSearch: 2 01:02:05 -94.298082 0.106101 LBFGSLineSearch: 3 01:02:06 -94.298107 0.036428 LBFGSLineSearch: 4 01:02:06 -94.298111 0.008495 LBFGSLineSearch: 5 01:02:07 -94.298111 0.010381 LBFGSLineSearch: 6 01:02:08 -94.298119 0.006326 LBFGSLineSearch: 7 01:02:08 -94.298121 0.003975 LBFGSLineSearch: 8 01:02:08 -94.298123 0.003830 LBFGSLineSearch: 9 01:02:09 -94.298125 0.005455 LBFGSLineSearch: 10 01:02:10 -94.298130 0.002481 LBFGSLineSearch: 11 01:02:10 -94.298131 0.001482 LBFGSLineSearch: 12 01:02:10 -94.298131 0.001161 LBFGSLineSearch: 13 01:02:12 -94.298131 0.000879 LBFGSLineSearch: 14 01:02:13 -94.298131 0.000709 LBFGSLineSearch: 15 01:02:14 -94.298131 0.000580 LBFGSLineSearch: 16 01:02:15 -94.298131 0.000060 LBFGSLineSearch: 17 01:02:16 -94.298131 0.000035 LBFGSLineSearch: 18 01:02:17 -94.298131 0.000007 Minimization converged after 18 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:02:24 -94.738630 0.031467 LBFGSLineSearch: 1 01:02:25 -94.738650 0.042931 LBFGSLineSearch: 2 01:02:25 -94.738702 0.106790 LBFGSLineSearch: 3 01:02:26 -94.738728 0.036487 LBFGSLineSearch: 4 01:02:26 -94.738732 0.008402 LBFGSLineSearch: 5 01:02:27 -94.738732 0.010574 LBFGSLineSearch: 6 01:02:27 -94.738740 0.006319 LBFGSLineSearch: 7 01:02:27 -94.738742 0.003961 LBFGSLineSearch: 8 01:02:28 -94.738744 0.003822 LBFGSLineSearch: 9 01:02:29 -94.738746 0.005490 LBFGSLineSearch: 10 01:02:29 -94.738751 0.002496 LBFGSLineSearch: 11 01:02:31 -94.738752 0.001553 LBFGSLineSearch: 12 01:02:31 -94.738752 0.001126 LBFGSLineSearch: 13 01:02:33 -94.738752 0.000864 LBFGSLineSearch: 14 01:02:35 -94.738752 0.000771 LBFGSLineSearch: 15 01:02:38 -94.738752 0.000586 LBFGSLineSearch: 16 01:02:41 -94.738752 0.000054 LBFGSLineSearch: 17 01:02:42 -94.738752 0.000027 LBFGSLineSearch: 18 01:02:43 -94.738752 0.000007 Minimization converged after 18 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:02:53 -95.179496 0.031485 LBFGSLineSearch: 1 01:02:53 -95.179516 0.042927 LBFGSLineSearch: 2 01:02:54 -95.179569 0.107398 LBFGSLineSearch: 3 01:02:55 -95.179594 0.036690 LBFGSLineSearch: 4 01:02:55 -95.179598 0.008457 LBFGSLineSearch: 5 01:02:55 -95.179599 0.010541 LBFGSLineSearch: 6 01:02:56 -95.179607 0.006304 LBFGSLineSearch: 7 01:02:56 -95.179609 0.003949 LBFGSLineSearch: 8 01:02:57 -95.179611 0.003821 LBFGSLineSearch: 9 01:02:57 -95.179612 0.005405 LBFGSLineSearch: 10 01:02:58 -95.179617 0.002471 LBFGSLineSearch: 11 01:02:58 -95.179618 0.001540 LBFGSLineSearch: 12 01:02:59 -95.179619 0.001173 LBFGSLineSearch: 13 01:02:59 -95.179619 0.000883 LBFGSLineSearch: 14 01:03:00 -95.179619 0.000703 LBFGSLineSearch: 15 01:03:00 -95.179619 0.000582 LBFGSLineSearch: 16 01:03:01 -95.179619 0.000067 LBFGSLineSearch: 17 01:03:01 -95.179619 0.000037 LBFGSLineSearch: 18 01:03:01 -95.179619 0.000008 Minimization converged after 18 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:03:10 -95.620610 0.031504 LBFGSLineSearch: 1 01:03:10 -95.620630 0.042924 LBFGSLineSearch: 2 01:03:11 -95.620683 0.108030 LBFGSLineSearch: 3 01:03:12 -95.620709 0.036902 LBFGSLineSearch: 4 01:03:15 -95.620713 0.008519 LBFGSLineSearch: 5 01:03:16 -95.620714 0.010497 LBFGSLineSearch: 6 01:03:17 -95.620721 0.006292 LBFGSLineSearch: 7 01:03:18 -95.620724 0.003938 LBFGSLineSearch: 8 01:03:19 -95.620725 0.003818 LBFGSLineSearch: 9 01:03:21 -95.620727 0.005318 LBFGSLineSearch: 10 01:03:22 -95.620732 0.002445 LBFGSLineSearch: 11 01:03:22 -95.620733 0.001497 LBFGSLineSearch: 12 01:03:23 -95.620734 0.000965 LBFGSLineSearch: 13 01:03:23 -95.620734 0.000738 LBFGSLineSearch: 14 01:03:25 -95.620734 0.000732 LBFGSLineSearch: 15 01:03:26 -95.620734 0.000207 LBFGSLineSearch: 16 01:03:27 -95.620734 0.000215 LBFGSLineSearch: 17 01:03:28 -95.620734 0.000010 LBFGSLineSearch: 18 01:03:29 -95.620734 0.000008 Minimization converged after 18 steps. Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:03:37 -96.061973 0.031521 LBFGSLineSearch: 1 01:03:37 -96.061994 0.042875 LBFGSLineSearch: 2 01:03:38 -96.062047 0.108153 LBFGSLineSearch: 3 01:03:38 -96.062073 0.037110 LBFGSLineSearch: 4 01:03:39 -96.062078 0.008628 LBFGSLineSearch: 5 01:03:40 -96.062078 0.010403 LBFGSLineSearch: 6 01:03:40 -96.062086 0.006278 LBFGSLineSearch: 7 01:03:41 -96.062088 0.003925 LBFGSLineSearch: 8 01:03:41 -96.062090 0.003816 LBFGSLineSearch: 9 01:03:42 -96.062092 0.005207 LBFGSLineSearch: 10 01:03:43 -96.062097 0.002409 LBFGSLineSearch: 11 01:03:44 -96.062098 0.001490 LBFGSLineSearch: 12 01:03:45 -96.062098 0.000984 LBFGSLineSearch: 13 01:03:45 -96.062098 0.000773 LBFGSLineSearch: 14 01:03:45 -96.062098 0.000742 LBFGSLineSearch: 15 01:03:46 -96.062099 0.000251 LBFGSLineSearch: 16 01:03:46 -96.062099 0.000116 LBFGSLineSearch: 17 01:03:47 -96.062099 0.000010 LBFGSLineSearch: 18 01:03:47 -96.062099 0.000012 LBFGSLineSearch: 19 01:03:48 -96.062099 0.000014 LBFGSLineSearch: 20 01:03:49 -96.062099 0.000000 Minimization converged after 20 steps. Pressure: -39.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:03:58 -96.503589 0.031535 LBFGSLineSearch: 1 01:03:59 -96.503609 0.042921 LBFGSLineSearch: 2 01:04:00 -96.503663 0.109264 LBFGSLineSearch: 3 01:04:00 -96.503690 0.037359 LBFGSLineSearch: 4 01:04:01 -96.503694 0.008668 LBFGSLineSearch: 5 01:04:02 -96.503694 0.010389 LBFGSLineSearch: 6 01:04:03 -96.503702 0.006266 LBFGSLineSearch: 7 01:04:03 -96.503705 0.003911 LBFGSLineSearch: 8 01:04:03 -96.503706 0.003811 LBFGSLineSearch: 9 01:04:04 -96.503708 0.005138 LBFGSLineSearch: 10 01:04:06 -96.503713 0.002388 LBFGSLineSearch: 11 01:04:08 -96.503714 0.001536 LBFGSLineSearch: 12 01:04:09 -96.503715 0.000991 LBFGSLineSearch: 13 01:04:10 -96.503715 0.000792 LBFGSLineSearch: 14 01:04:11 -96.503715 0.000742 LBFGSLineSearch: 15 01:04:12 -96.503715 0.000276 LBFGSLineSearch: 16 01:04:13 -96.503715 0.000053 LBFGSLineSearch: 17 01:04:15 -96.503715 0.000012 LBFGSLineSearch: 18 01:04:18 -96.503715 0.000022 LBFGSLineSearch: 19 01:04:19 -96.503715 0.000010 Minimization converged after 19 steps. Pressure: -40.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:04:27 -96.945458 0.031558 LBFGSLineSearch: 1 01:04:27 -96.945479 0.042919 LBFGSLineSearch: 2 01:04:28 -96.945532 0.109979 LBFGSLineSearch: 3 01:04:28 -96.945560 0.037577 LBFGSLineSearch: 4 01:04:29 -96.945564 0.008695 LBFGSLineSearch: 5 01:04:29 -96.945565 0.010405 LBFGSLineSearch: 6 01:04:30 -96.945573 0.006258 LBFGSLineSearch: 7 01:04:30 -96.945575 0.003900 LBFGSLineSearch: 8 01:04:30 -96.945577 0.003807 LBFGSLineSearch: 9 01:04:31 -96.945579 0.005089 LBFGSLineSearch: 10 01:04:31 -96.945583 0.002371 LBFGSLineSearch: 11 01:04:31 -96.945585 0.001590 LBFGSLineSearch: 12 01:04:32 -96.945585 0.001000 LBFGSLineSearch: 13 01:04:32 -96.945585 0.000800 LBFGSLineSearch: 14 01:04:32 -96.945585 0.000735 LBFGSLineSearch: 15 01:04:33 -96.945586 0.000310 LBFGSLineSearch: 16 01:04:33 -96.945586 0.000055 LBFGSLineSearch: 17 01:04:33 -96.945586 0.000014 LBFGSLineSearch: 18 01:04:33 -96.945586 0.000016 LBFGSLineSearch: 19 01:04:34 -96.945586 0.000011 LBFGSLineSearch: 20 01:04:34 -96.945586 0.000001 Minimization converged after 20 steps. Pressure: -40.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:04:42 -97.387584 0.031572 LBFGSLineSearch: 1 01:04:43 -97.387604 0.042913 LBFGSLineSearch: 2 01:04:45 -97.387658 0.110589 LBFGSLineSearch: 3 01:04:47 -97.387686 0.037812 LBFGSLineSearch: 4 01:04:48 -97.387691 0.008795 LBFGSLineSearch: 5 01:04:48 -97.387691 0.010326 LBFGSLineSearch: 6 01:04:49 -97.387699 0.006260 LBFGSLineSearch: 7 01:04:50 -97.387702 0.003887 LBFGSLineSearch: 8 01:04:52 -97.387703 0.003802 LBFGSLineSearch: 9 01:04:54 -97.387705 0.005007 LBFGSLineSearch: 10 01:04:55 -97.387710 0.002343 LBFGSLineSearch: 11 01:04:55 -97.387711 0.001677 LBFGSLineSearch: 12 01:04:56 -97.387712 0.001008 LBFGSLineSearch: 13 01:04:57 -97.387712 0.000817 LBFGSLineSearch: 14 01:04:58 -97.387712 0.000736 LBFGSLineSearch: 15 01:04:59 -97.387712 0.000388 LBFGSLineSearch: 16 01:04:59 -97.387712 0.000055 LBFGSLineSearch: 17 01:05:00 -97.387712 0.000015 LBFGSLineSearch: 18 01:05:01 -97.387712 0.000021 LBFGSLineSearch: 19 01:05:01 -97.387712 0.000012 LBFGSLineSearch: 20 01:05:01 -97.387712 0.000002 Minimization converged after 20 steps. Pressure: -41.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:05:09 -97.829967 0.031591 LBFGSLineSearch: 1 01:05:10 -97.829988 0.042902 LBFGSLineSearch: 2 01:05:11 -97.830042 0.111226 LBFGSLineSearch: 3 01:05:12 -97.830071 0.038039 LBFGSLineSearch: 4 01:05:13 -97.830075 0.008830 LBFGSLineSearch: 5 01:05:14 -97.830076 0.010339 LBFGSLineSearch: 6 01:05:14 -97.830084 0.006246 LBFGSLineSearch: 7 01:05:15 -97.830087 0.003874 LBFGSLineSearch: 8 01:05:15 -97.830088 0.003795 LBFGSLineSearch: 9 01:05:15 -97.830090 0.004957 LBFGSLineSearch: 10 01:05:16 -97.830095 0.002329 LBFGSLineSearch: 11 01:05:16 -97.830096 0.001714 LBFGSLineSearch: 12 01:05:17 -97.830097 0.001009 LBFGSLineSearch: 13 01:05:18 -97.830097 0.000826 LBFGSLineSearch: 14 01:05:20 -97.830097 0.000736 LBFGSLineSearch: 15 01:05:21 -97.830097 0.000408 LBFGSLineSearch: 16 01:05:21 -97.830097 0.000057 LBFGSLineSearch: 17 01:05:22 -97.830097 0.000038 LBFGSLineSearch: 18 01:05:23 -97.830097 0.000017 LBFGSLineSearch: 19 01:05:24 -97.830097 0.000013 LBFGSLineSearch: 20 01:05:25 -97.830097 0.000004 Minimization converged after 20 steps. Pressure: -41.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:05:34 -98.272612 0.031611 LBFGSLineSearch: 1 01:05:34 -98.272632 0.042921 LBFGSLineSearch: 2 01:05:35 -98.272687 0.112131 LBFGSLineSearch: 3 01:05:35 -98.272716 0.038258 LBFGSLineSearch: 4 01:05:36 -98.272720 0.008828 LBFGSLineSearch: 5 01:05:36 -98.272721 0.010399 LBFGSLineSearch: 6 01:05:36 -98.272729 0.006245 LBFGSLineSearch: 7 01:05:38 -98.272732 0.003858 LBFGSLineSearch: 8 01:05:39 -98.272733 0.003785 LBFGSLineSearch: 9 01:05:40 -98.272735 0.004922 LBFGSLineSearch: 10 01:05:40 -98.272740 0.002318 LBFGSLineSearch: 11 01:05:41 -98.272741 0.001726 LBFGSLineSearch: 12 01:05:41 -98.272742 0.001005 LBFGSLineSearch: 13 01:05:42 -98.272742 0.000825 LBFGSLineSearch: 14 01:05:42 -98.272742 0.000730 LBFGSLineSearch: 15 01:05:45 -98.272742 0.000413 LBFGSLineSearch: 16 01:05:45 -98.272742 0.000063 LBFGSLineSearch: 17 01:05:46 -98.272742 0.000040 LBFGSLineSearch: 18 01:05:46 -98.272742 0.000018 LBFGSLineSearch: 19 01:05:47 -98.272742 0.000014 LBFGSLineSearch: 20 01:05:47 -98.272742 0.000007 Minimization converged after 20 steps. Pressure: -42.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:05:55 -98.715518 0.031630 LBFGSLineSearch: 1 01:05:56 -98.715539 0.042929 LBFGSLineSearch: 2 01:05:57 -98.715594 0.112995 LBFGSLineSearch: 3 01:05:57 -98.715623 0.038459 LBFGSLineSearch: 4 01:05:57 -98.715628 0.008828 LBFGSLineSearch: 5 01:05:58 -98.715629 0.010452 LBFGSLineSearch: 6 01:05:59 -98.715637 0.006236 LBFGSLineSearch: 7 01:06:00 -98.715640 0.003836 LBFGSLineSearch: 8 01:06:00 -98.715641 0.003770 LBFGSLineSearch: 9 01:06:01 -98.715643 0.004881 LBFGSLineSearch: 10 01:06:02 -98.715648 0.002324 LBFGSLineSearch: 11 01:06:02 -98.715649 0.001739 LBFGSLineSearch: 12 01:06:03 -98.715650 0.000994 LBFGSLineSearch: 13 01:06:04 -98.715650 0.000826 LBFGSLineSearch: 14 01:06:04 -98.715650 0.000732 LBFGSLineSearch: 15 01:06:05 -98.715650 0.000414 LBFGSLineSearch: 16 01:06:06 -98.715650 0.000068 LBFGSLineSearch: 17 01:06:06 -98.715650 0.000041 LBFGSLineSearch: 18 01:06:08 -98.715650 0.000019 LBFGSLineSearch: 19 01:06:11 -98.715650 0.000015 LBFGSLineSearch: 20 01:06:12 -98.715650 0.000007 Minimization converged after 20 steps. Pressure: -42.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:06:21 -99.158690 0.031650 LBFGSLineSearch: 1 01:06:21 -99.158711 0.042952 LBFGSLineSearch: 2 01:06:22 -99.158766 0.113801 LBFGSLineSearch: 3 01:06:22 -99.158796 0.038770 LBFGSLineSearch: 4 01:06:23 -99.158801 0.008948 LBFGSLineSearch: 5 01:06:23 -99.158801 0.010348 LBFGSLineSearch: 6 01:06:23 -99.158810 0.006245 LBFGSLineSearch: 7 01:06:23 -99.158813 0.003815 LBFGSLineSearch: 8 01:06:24 -99.158815 0.003916 LBFGSLineSearch: 9 01:06:24 -99.158818 0.003168 LBFGSLineSearch: 10 01:06:25 -99.158821 0.003031 LBFGSLineSearch: 11 01:06:26 -99.158822 0.002069 LBFGSLineSearch: 12 01:06:26 -99.158823 0.000922 LBFGSLineSearch: 13 01:06:27 -99.158823 0.000932 LBFGSLineSearch: 14 01:06:27 -99.158823 0.001693 LBFGSLineSearch: 15 01:06:28 -99.158823 0.000372 LBFGSLineSearch: 16 01:06:28 -99.158823 0.000170 LBFGSLineSearch: 17 01:06:29 -99.158823 0.000023 LBFGSLineSearch: 18 01:06:30 -99.158823 0.000078 LBFGSLineSearch: 19 01:06:31 -99.158823 0.000015 LBFGSLineSearch: 20 01:06:31 -99.158823 0.000000 Minimization converged after 20 steps. Pressure: -43.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:06:40 -99.602129 0.031665 LBFGSLineSearch: 1 01:06:41 -99.602150 0.042915 LBFGSLineSearch: 2 01:06:42 -99.602206 0.114095 LBFGSLineSearch: 3 01:06:43 -99.602236 0.039147 LBFGSLineSearch: 4 01:06:44 -99.602241 0.009156 LBFGSLineSearch: 5 01:06:44 -99.602241 0.010140 LBFGSLineSearch: 6 01:06:45 -99.602250 0.006251 LBFGSLineSearch: 7 01:06:46 -99.602253 0.003793 LBFGSLineSearch: 8 01:06:47 -99.602255 0.003902 LBFGSLineSearch: 9 01:06:49 -99.602258 0.003341 LBFGSLineSearch: 10 01:06:49 -99.602261 0.002940 LBFGSLineSearch: 11 01:06:49 -99.602262 0.002077 LBFGSLineSearch: 12 01:06:50 -99.602263 0.000917 LBFGSLineSearch: 13 01:06:50 -99.602263 0.000928 LBFGSLineSearch: 14 01:06:51 -99.602263 0.001534 LBFGSLineSearch: 15 01:06:51 -99.602263 0.000283 LBFGSLineSearch: 16 01:06:52 -99.602263 0.000198 LBFGSLineSearch: 17 01:06:52 -99.602263 0.000021 LBFGSLineSearch: 18 01:06:53 -99.602263 0.000085 LBFGSLineSearch: 19 01:06:53 -99.602263 0.000015 LBFGSLineSearch: 20 01:06:54 -99.602263 0.000000 Minimization converged after 20 steps. Pressure: -43.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:03 -100.045838 0.031684 LBFGSLineSearch: 1 01:07:03 -100.045859 0.042917 LBFGSLineSearch: 2 01:07:05 -100.045915 0.114834 LBFGSLineSearch: 3 01:07:07 -100.045946 0.039448 LBFGSLineSearch: 4 01:07:09 -100.045951 0.009240 LBFGSLineSearch: 5 01:07:11 -100.045951 0.010095 LBFGSLineSearch: 6 01:07:12 -100.045960 0.006258 LBFGSLineSearch: 7 01:07:12 -100.045963 0.003772 LBFGSLineSearch: 8 01:07:13 -100.045965 0.003893 LBFGSLineSearch: 9 01:07:13 -100.045968 0.003428 LBFGSLineSearch: 10 01:07:14 -100.045971 0.002858 LBFGSLineSearch: 11 01:07:15 -100.045972 0.002084 LBFGSLineSearch: 12 01:07:16 -100.045973 0.000907 LBFGSLineSearch: 13 01:07:19 -100.045973 0.000910 LBFGSLineSearch: 14 01:07:20 -100.045973 0.001358 LBFGSLineSearch: 15 01:07:22 -100.045973 0.000238 LBFGSLineSearch: 16 01:07:22 -100.045973 0.000203 LBFGSLineSearch: 17 01:07:24 -100.045973 0.000022 LBFGSLineSearch: 18 01:07:26 -100.045973 0.000082 LBFGSLineSearch: 19 01:07:27 -100.045973 0.000016 LBFGSLineSearch: 20 01:07:30 -100.045973 0.000000 Minimization converged after 20 steps. Pressure: -44.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:40 -100.489818 0.031703 LBFGSLineSearch: 1 01:07:40 -100.489839 0.042920 LBFGSLineSearch: 2 01:07:41 -100.489896 0.115571 LBFGSLineSearch: 3 01:07:42 -100.489927 0.039762 LBFGSLineSearch: 4 01:07:42 -100.489932 0.009337 LBFGSLineSearch: 5 01:07:43 -100.489933 0.010041 LBFGSLineSearch: 6 01:07:43 -100.489941 0.006268 LBFGSLineSearch: 7 01:07:44 -100.489945 0.003751 LBFGSLineSearch: 8 01:07:46 -100.489947 0.003888 LBFGSLineSearch: 9 01:07:46 -100.489950 0.003494 LBFGSLineSearch: 10 01:07:47 -100.489953 0.002760 LBFGSLineSearch: 11 01:07:47 -100.489954 0.002089 LBFGSLineSearch: 12 01:07:48 -100.489954 0.000902 LBFGSLineSearch: 13 01:07:48 -100.489955 0.000921 LBFGSLineSearch: 14 01:07:49 -100.489955 0.001330 LBFGSLineSearch: 15 01:07:50 -100.489955 0.000228 LBFGSLineSearch: 16 01:07:50 -100.489955 0.000210 LBFGSLineSearch: 17 01:07:51 -100.489955 0.000023 LBFGSLineSearch: 18 01:07:51 -100.489955 0.000083 LBFGSLineSearch: 19 01:07:52 -100.489955 0.000017 LBFGSLineSearch: 20 01:07:52 -100.489955 0.000000 Minimization converged after 20 steps. Pressure: -44.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:00 -100.934074 0.031723 LBFGSLineSearch: 1 01:08:01 -100.934094 0.042920 LBFGSLineSearch: 2 01:08:01 -100.934151 0.116355 LBFGSLineSearch: 3 01:08:02 -100.934183 0.040057 LBFGSLineSearch: 4 01:08:03 -100.934189 0.009403 LBFGSLineSearch: 5 01:08:03 -100.934189 0.010025 LBFGSLineSearch: 6 01:08:05 -100.934198 0.006284 LBFGSLineSearch: 7 01:08:05 -100.934201 0.003728 LBFGSLineSearch: 8 01:08:06 -100.934203 0.003883 LBFGSLineSearch: 9 01:08:06 -100.934206 0.003558 LBFGSLineSearch: 10 01:08:07 -100.934209 0.002658 LBFGSLineSearch: 11 01:08:08 -100.934210 0.002060 LBFGSLineSearch: 12 01:08:09 -100.934211 0.000890 LBFGSLineSearch: 13 01:08:10 -100.934211 0.000883 LBFGSLineSearch: 14 01:08:12 -100.934211 0.001138 LBFGSLineSearch: 15 01:08:13 -100.934211 0.000178 LBFGSLineSearch: 16 01:08:14 -100.934211 0.000214 LBFGSLineSearch: 17 01:08:16 -100.934211 0.000025 LBFGSLineSearch: 18 01:08:17 -100.934211 0.000070 LBFGSLineSearch: 19 01:08:17 -100.934211 0.000017 LBFGSLineSearch: 20 01:08:19 -100.934211 0.000000 Minimization converged after 20 steps. Pressure: -45.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:27 -101.378606 0.031743 LBFGSLineSearch: 1 01:08:28 -101.378627 0.042923 LBFGSLineSearch: 2 01:08:29 -101.378684 0.117139 LBFGSLineSearch: 3 01:08:30 -101.378717 0.040384 LBFGSLineSearch: 4 01:08:31 -101.378722 0.009489 LBFGSLineSearch: 5 01:08:32 -101.378723 0.009992 LBFGSLineSearch: 6 01:08:32 -101.378732 0.006294 LBFGSLineSearch: 7 01:08:33 -101.378735 0.003705 LBFGSLineSearch: 8 01:08:33 -101.378737 0.003876 LBFGSLineSearch: 9 01:08:34 -101.378740 0.003618 LBFGSLineSearch: 10 01:08:34 -101.378743 0.002542 LBFGSLineSearch: 11 01:08:35 -101.378744 0.001965 LBFGSLineSearch: 12 01:08:35 -101.378745 0.000878 LBFGSLineSearch: 13 01:08:36 -101.378745 0.000858 LBFGSLineSearch: 14 01:08:36 -101.378745 0.000993 LBFGSLineSearch: 15 01:08:37 -101.378745 0.000145 LBFGSLineSearch: 16 01:08:37 -101.378745 0.000200 LBFGSLineSearch: 17 01:08:38 -101.378745 0.000026 LBFGSLineSearch: 18 01:08:39 -101.378745 0.000053 LBFGSLineSearch: 19 01:08:41 -101.378745 0.000022 LBFGSLineSearch: 20 01:08:43 -101.378745 0.000000 Minimization converged after 20 steps. Pressure: -45.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:52 -101.823419 0.031762 LBFGSLineSearch: 1 01:08:53 -101.823440 0.042926 LBFGSLineSearch: 2 01:08:53 -101.823497 0.117941 LBFGSLineSearch: 3 01:08:54 -101.823531 0.040720 LBFGSLineSearch: 4 01:08:54 -101.823536 0.009585 LBFGSLineSearch: 5 01:08:55 -101.823536 0.009953 LBFGSLineSearch: 6 01:08:56 -101.823545 0.006315 LBFGSLineSearch: 7 01:08:56 -101.823549 0.003683 LBFGSLineSearch: 8 01:08:57 -101.823551 0.003875 LBFGSLineSearch: 9 01:08:58 -101.823554 0.003679 LBFGSLineSearch: 10 01:08:59 -101.823557 0.002415 LBFGSLineSearch: 11 01:09:00 -101.823558 0.001746 LBFGSLineSearch: 12 01:09:01 -101.823559 0.000942 LBFGSLineSearch: 13 01:09:01 -101.823559 0.000826 LBFGSLineSearch: 14 01:09:02 -101.823559 0.000608 LBFGSLineSearch: 15 01:09:02 -101.823559 0.000517 LBFGSLineSearch: 16 01:09:03 -101.823559 0.000062 LBFGSLineSearch: 17 01:09:03 -101.823559 0.000024 LBFGSLineSearch: 18 01:09:04 -101.823559 0.000037 LBFGSLineSearch: 19 01:09:04 -101.823559 0.000020 LBFGSLineSearch: 20 01:09:05 -101.823559 0.000007 Minimization converged after 20 steps. Pressure: -46.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:13 -102.268514 0.031781 LBFGSLineSearch: 1 01:09:13 -102.268535 0.042999 LBFGSLineSearch: 2 01:09:13 -102.268593 0.118917 LBFGSLineSearch: 3 01:09:14 -102.268627 0.041296 LBFGSLineSearch: 4 01:09:14 -102.268632 0.009843 LBFGSLineSearch: 5 01:09:14 -102.268633 0.009737 LBFGSLineSearch: 6 01:09:15 -102.268644 0.005266 LBFGSLineSearch: 7 01:09:15 -102.268647 0.003763 LBFGSLineSearch: 8 01:09:16 -102.268652 0.004692 LBFGSLineSearch: 9 01:09:16 -102.268654 0.007343 LBFGSLineSearch: 10 01:09:17 -102.268655 0.000943 LBFGSLineSearch: 11 01:09:17 -102.268656 0.000789 LBFGSLineSearch: 12 01:09:19 -102.268656 0.001077 LBFGSLineSearch: 13 01:09:19 -102.268656 0.000159 LBFGSLineSearch: 14 01:09:20 -102.268656 0.000442 LBFGSLineSearch: 15 01:09:21 -102.268656 0.000037 LBFGSLineSearch: 16 01:09:22 -102.268656 0.000033 LBFGSLineSearch: 17 01:09:22 -102.268656 0.000023 LBFGSLineSearch: 18 01:09:23 -102.268656 0.000001 Minimization converged after 18 steps. Pressure: -46.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:31 -102.713895 0.031803 LBFGSLineSearch: 1 01:09:31 -102.713916 0.042914 LBFGSLineSearch: 2 01:09:32 -102.713975 0.119505 LBFGSLineSearch: 3 01:09:34 -102.714009 0.041401 LBFGSLineSearch: 4 01:09:35 -102.714015 0.009761 LBFGSLineSearch: 5 01:09:35 -102.714015 0.009907 LBFGSLineSearch: 6 01:09:36 -102.714027 0.005168 LBFGSLineSearch: 7 01:09:36 -102.714030 0.003721 LBFGSLineSearch: 8 01:09:37 -102.714034 0.004496 LBFGSLineSearch: 9 01:09:37 -102.714036 0.007339 LBFGSLineSearch: 10 01:09:37 -102.714038 0.000942 LBFGSLineSearch: 11 01:09:37 -102.714038 0.000804 LBFGSLineSearch: 12 01:09:38 -102.714038 0.001715 LBFGSLineSearch: 13 01:09:38 -102.714038 0.000229 LBFGSLineSearch: 14 01:09:38 -102.714038 0.000587 LBFGSLineSearch: 15 01:09:39 -102.714038 0.000041 LBFGSLineSearch: 16 01:09:39 -102.714038 0.000039 LBFGSLineSearch: 17 01:09:39 -102.714038 0.000024 LBFGSLineSearch: 18 01:09:40 -102.714038 0.000002 Minimization converged after 18 steps. Pressure: -47.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:49 -103.159565 0.031823 LBFGSLineSearch: 1 01:09:49 -103.159586 0.042913 LBFGSLineSearch: 2 01:09:49 -103.159645 0.120353 LBFGSLineSearch: 3 01:09:50 -103.159680 0.041758 LBFGSLineSearch: 4 01:09:51 -103.159686 0.009861 LBFGSLineSearch: 5 01:09:52 -103.159687 0.009878 LBFGSLineSearch: 6 01:09:52 -103.159699 0.005077 LBFGSLineSearch: 7 01:09:52 -103.159701 0.003686 LBFGSLineSearch: 8 01:09:54 -103.159706 0.004635 LBFGSLineSearch: 9 01:09:55 -103.159708 0.007305 LBFGSLineSearch: 10 01:09:56 -103.159710 0.000941 LBFGSLineSearch: 11 01:09:57 -103.159710 0.000814 LBFGSLineSearch: 12 01:09:57 -103.159710 0.000872 LBFGSLineSearch: 13 01:09:58 -103.159710 0.000248 LBFGSLineSearch: 14 01:09:58 -103.159710 0.000259 LBFGSLineSearch: 15 01:09:59 -103.159710 0.000034 LBFGSLineSearch: 16 01:10:00 -103.159710 0.000055 LBFGSLineSearch: 17 01:10:00 -103.159710 0.000023 LBFGSLineSearch: 18 01:10:00 -103.159710 0.000078 LBFGSLineSearch: 19 01:10:02 -103.159710 0.000000 Minimization converged after 19 steps. Pressure: -47.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:11 -103.605527 0.031844 LBFGSLineSearch: 1 01:10:12 -103.605548 0.042940 LBFGSLineSearch: 2 01:10:13 -103.605608 0.121298 LBFGSLineSearch: 3 01:10:15 -103.605644 0.042193 LBFGSLineSearch: 4 01:10:16 -103.605649 0.009981 LBFGSLineSearch: 5 01:10:18 -103.605650 0.009831 LBFGSLineSearch: 6 01:10:19 -103.605662 0.004984 LBFGSLineSearch: 7 01:10:19 -103.605665 0.003675 LBFGSLineSearch: 8 01:10:21 -103.605670 0.005102 LBFGSLineSearch: 9 01:10:21 -103.605671 0.007353 LBFGSLineSearch: 10 01:10:22 -103.605673 0.000928 LBFGSLineSearch: 11 01:10:23 -103.605673 0.000834 LBFGSLineSearch: 12 01:10:24 -103.605674 0.000954 LBFGSLineSearch: 13 01:10:24 -103.605674 0.000356 LBFGSLineSearch: 14 01:10:25 -103.605674 0.000155 LBFGSLineSearch: 15 01:10:25 -103.605674 0.000101 LBFGSLineSearch: 16 01:10:26 -103.605674 0.000083 LBFGSLineSearch: 17 01:10:27 -103.605674 0.000027 LBFGSLineSearch: 18 01:10:27 -103.605674 0.000024 LBFGSLineSearch: 19 01:10:28 -103.605674 0.000000 Minimization converged after 19 steps. Pressure: -48.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:37 -104.051784 0.031865 LBFGSLineSearch: 1 01:10:38 -104.051806 0.042943 LBFGSLineSearch: 2 01:10:38 -104.051866 0.122194 LBFGSLineSearch: 3 01:10:38 -104.051902 0.042593 LBFGSLineSearch: 4 01:10:39 -104.051908 0.010088 LBFGSLineSearch: 5 01:10:40 -104.051909 0.009806 LBFGSLineSearch: 6 01:10:41 -104.051921 0.004886 LBFGSLineSearch: 7 01:10:42 -104.051924 0.003658 LBFGSLineSearch: 8 01:10:42 -104.051929 0.005510 LBFGSLineSearch: 9 01:10:43 -104.051930 0.007550 LBFGSLineSearch: 10 01:10:43 -104.051932 0.000913 LBFGSLineSearch: 11 01:10:44 -104.051932 0.000850 LBFGSLineSearch: 12 01:10:44 -104.051933 0.001195 LBFGSLineSearch: 13 01:10:45 -104.051933 0.000446 LBFGSLineSearch: 14 01:10:46 -104.051933 0.000150 LBFGSLineSearch: 15 01:10:47 -104.051933 0.000156 LBFGSLineSearch: 16 01:10:48 -104.051933 0.000085 LBFGSLineSearch: 17 01:10:48 -104.051933 0.000026 LBFGSLineSearch: 18 01:10:49 -104.051933 0.000026 LBFGSLineSearch: 19 01:10:50 -104.051933 0.000000 Minimization converged after 19 steps. Pressure: -48.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:00 -104.498341 0.031886 LBFGSLineSearch: 1 01:11:01 -104.498362 0.042948 LBFGSLineSearch: 2 01:11:02 -104.498422 0.123106 LBFGSLineSearch: 3 01:11:03 -104.498460 0.043009 LBFGSLineSearch: 4 01:11:03 -104.498466 0.010203 LBFGSLineSearch: 5 01:11:04 -104.498466 0.009779 LBFGSLineSearch: 6 01:11:05 -104.498479 0.004774 LBFGSLineSearch: 7 01:11:06 -104.498482 0.003652 LBFGSLineSearch: 8 01:11:07 -104.498486 0.005989 LBFGSLineSearch: 9 01:11:07 -104.498488 0.007323 LBFGSLineSearch: 10 01:11:07 -104.498490 0.000902 LBFGSLineSearch: 11 01:11:08 -104.498490 0.000845 LBFGSLineSearch: 12 01:11:08 -104.498491 0.001566 LBFGSLineSearch: 13 01:11:09 -104.498491 0.000791 LBFGSLineSearch: 14 01:11:09 -104.498491 0.000145 LBFGSLineSearch: 15 01:11:09 -104.498491 0.000272 LBFGSLineSearch: 16 01:11:10 -104.498491 0.000052 LBFGSLineSearch: 17 01:11:11 -104.498491 0.000047 LBFGSLineSearch: 18 01:11:11 -104.498491 0.000029 LBFGSLineSearch: 19 01:11:12 -104.498491 0.000000 Minimization converged after 19 steps. Pressure: -49.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:20 -104.945199 0.031908 LBFGSLineSearch: 1 01:11:20 -104.945221 0.042951 LBFGSLineSearch: 2 01:11:21 -104.945281 0.124026 LBFGSLineSearch: 3 01:11:21 -104.945320 0.043441 LBFGSLineSearch: 4 01:11:22 -104.945326 0.010326 LBFGSLineSearch: 5 01:11:22 -104.945326 0.009750 LBFGSLineSearch: 6 01:11:23 -104.945340 0.004662 LBFGSLineSearch: 7 01:11:24 -104.945343 0.003633 LBFGSLineSearch: 8 01:11:25 -104.945347 0.006515 LBFGSLineSearch: 9 01:11:25 -104.945348 0.007530 LBFGSLineSearch: 10 01:11:26 -104.945351 0.000885 LBFGSLineSearch: 11 01:11:26 -104.945351 0.000866 LBFGSLineSearch: 12 01:11:27 -104.945351 0.001876 LBFGSLineSearch: 13 01:11:28 -104.945351 0.001000 LBFGSLineSearch: 14 01:11:28 -104.945351 0.000140 LBFGSLineSearch: 15 01:11:29 -104.945351 0.000274 LBFGSLineSearch: 16 01:11:31 -104.945351 0.000061 LBFGSLineSearch: 17 01:11:32 -104.945351 0.000037 LBFGSLineSearch: 18 01:11:33 -104.945351 0.000030 LBFGSLineSearch: 19 01:11:34 -104.945351 0.000000 Minimization converged after 19 steps. Pressure: -49.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:43 -105.392364 0.031930 LBFGSLineSearch: 1 01:11:43 -105.392386 0.042960 LBFGSLineSearch: 2 01:11:44 -105.392447 0.124989 LBFGSLineSearch: 3 01:11:45 -105.392486 0.043898 LBFGSLineSearch: 4 01:11:46 -105.392492 0.010448 LBFGSLineSearch: 5 01:11:46 -105.392493 0.009733 LBFGSLineSearch: 6 01:11:47 -105.392506 0.004543 LBFGSLineSearch: 7 01:11:48 -105.392509 0.003628 LBFGSLineSearch: 8 01:11:49 -105.392513 0.004531 LBFGSLineSearch: 9 01:11:50 -105.392514 0.002824 LBFGSLineSearch: 10 01:11:51 -105.392516 0.002585 LBFGSLineSearch: 11 01:11:53 -105.392517 0.000746 LBFGSLineSearch: 12 01:11:53 -105.392518 0.001314 LBFGSLineSearch: 13 01:11:54 -105.392518 0.001820 LBFGSLineSearch: 14 01:11:54 -105.392518 0.000258 LBFGSLineSearch: 15 01:11:55 -105.392518 0.000353 LBFGSLineSearch: 16 01:11:57 -105.392518 0.000064 LBFGSLineSearch: 17 01:11:59 -105.392518 0.000033 LBFGSLineSearch: 18 01:12:01 -105.392518 0.000161 LBFGSLineSearch: 19 01:12:02 -105.392518 0.000001 Minimization converged after 19 steps. Pressure: -50.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:11 -105.839839 0.031952 LBFGSLineSearch: 1 01:12:11 -105.839861 0.042979 LBFGSLineSearch: 2 01:12:12 -105.839922 0.126024 LBFGSLineSearch: 3 01:12:13 -105.839962 0.044379 LBFGSLineSearch: 4 01:12:15 -105.839969 0.010593 LBFGSLineSearch: 5 01:12:15 -105.839969 0.009702 LBFGSLineSearch: 6 01:12:16 -105.839983 0.004423 LBFGSLineSearch: 7 01:12:19 -105.839986 0.003616 LBFGSLineSearch: 8 01:12:21 -105.839990 0.004637 LBFGSLineSearch: 9 01:12:24 -105.839991 0.002897 LBFGSLineSearch: 10 01:12:27 -105.839993 0.002863 LBFGSLineSearch: 11 01:12:28 -105.839994 0.000720 LBFGSLineSearch: 12 01:12:28 -105.839994 0.001509 LBFGSLineSearch: 13 01:12:29 -105.839995 0.001550 LBFGSLineSearch: 14 01:12:31 -105.839995 0.000274 LBFGSLineSearch: 15 01:12:32 -105.839995 0.000371 LBFGSLineSearch: 16 01:12:33 -105.839995 0.000067 LBFGSLineSearch: 17 01:12:34 -105.839995 0.000033 LBFGSLineSearch: 18 01:12:35 -105.839995 0.000153 LBFGSLineSearch: 19 01:12:36 -105.839995 0.000001 Minimization converged after 19 steps. Pressure: -50.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:47 -106.287628 0.031974 LBFGSLineSearch: 1 01:12:47 -106.287650 0.042989 LBFGSLineSearch: 2 01:12:48 -106.287712 0.127036 LBFGSLineSearch: 3 01:12:49 -106.287753 0.044868 LBFGSLineSearch: 4 01:12:49 -106.287760 0.010736 LBFGSLineSearch: 5 01:12:50 -106.287760 0.009685 LBFGSLineSearch: 6 01:12:50 -106.287775 0.004291 LBFGSLineSearch: 7 01:12:51 -106.287777 0.003609 LBFGSLineSearch: 8 01:12:52 -106.287781 0.004779 LBFGSLineSearch: 9 01:12:52 -106.287782 0.002985 LBFGSLineSearch: 10 01:12:53 -106.287784 0.003166 LBFGSLineSearch: 11 01:12:53 -106.287786 0.000689 LBFGSLineSearch: 12 01:12:54 -106.287786 0.001676 LBFGSLineSearch: 13 01:12:55 -106.287786 0.001274 LBFGSLineSearch: 14 01:12:57 -106.287786 0.000256 LBFGSLineSearch: 15 01:13:00 -106.287786 0.000103 LBFGSLineSearch: 16 01:13:01 -106.287786 0.000125 LBFGSLineSearch: 17 01:13:01 -106.287786 0.000051 LBFGSLineSearch: 18 01:13:02 -106.287786 0.000030 LBFGSLineSearch: 19 01:13:03 -106.287786 0.000003 Minimization converged after 19 steps. Pressure: -51.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:13:14 -106.735736 0.031997 LBFGSLineSearch: 1 01:13:15 -106.735757 0.043021 LBFGSLineSearch: 2 01:13:15 -106.735820 0.128232 LBFGSLineSearch: 3 01:13:16 -106.735862 0.045374 LBFGSLineSearch: 4 01:13:17 -106.735869 0.010823 LBFGSLineSearch: 5 01:13:18 -106.735869 0.009716 LBFGSLineSearch: 6 01:13:19 -106.735884 0.004167 LBFGSLineSearch: 7 01:13:20 -106.735887 0.003582 LBFGSLineSearch: 8 01:13:21 -106.735891 0.004800 LBFGSLineSearch: 9 01:13:22 -106.735892 0.003023 LBFGSLineSearch: 10 01:13:22 -106.735894 0.003555 LBFGSLineSearch: 11 01:13:23 -106.735895 0.000675 LBFGSLineSearch: 12 01:13:24 -106.735895 0.001845 LBFGSLineSearch: 13 01:13:26 -106.735896 0.001190 LBFGSLineSearch: 14 01:13:27 -106.735896 0.000257 LBFGSLineSearch: 15 01:13:28 -106.735896 0.000106 LBFGSLineSearch: 16 01:13:29 -106.735896 0.000144 LBFGSLineSearch: 17 01:13:31 -106.735896 0.000083 LBFGSLineSearch: 18 01:13:32 -106.735896 0.000049 LBFGSLineSearch: 19 01:13:35 -106.735896 0.000027 LBFGSLineSearch: 20 01:13:35 -106.735896 0.000029 LBFGSLineSearch: 21 01:13:36 -106.735896 0.000000 Minimization converged after 21 steps. Pressure: -51.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:13:45 -107.184166 0.032019 LBFGSLineSearch: 1 01:13:46 -107.184188 0.042996 LBFGSLineSearch: 2 01:13:47 -107.184251 0.129080 LBFGSLineSearch: 3 01:13:48 -107.184294 0.045904 LBFGSLineSearch: 4 01:13:49 -107.184301 0.011005 LBFGSLineSearch: 5 01:13:50 -107.184302 0.009685 LBFGSLineSearch: 6 01:13:51 -107.184317 0.004035 LBFGSLineSearch: 7 01:13:51 -107.184320 0.003563 LBFGSLineSearch: 8 01:13:52 -107.184324 0.004873 LBFGSLineSearch: 9 01:13:52 -107.184325 0.003075 LBFGSLineSearch: 10 01:13:53 -107.184327 0.003925 LBFGSLineSearch: 11 01:13:53 -107.184328 0.000652 LBFGSLineSearch: 12 01:13:54 -107.184328 0.001902 LBFGSLineSearch: 13 01:13:54 -107.184328 0.001062 LBFGSLineSearch: 14 01:13:55 -107.184329 0.000282 LBFGSLineSearch: 15 01:13:56 -107.184329 0.000111 LBFGSLineSearch: 16 01:13:56 -107.184329 0.000134 LBFGSLineSearch: 17 01:13:57 -107.184329 0.000088 LBFGSLineSearch: 18 01:13:58 -107.184329 0.000051 LBFGSLineSearch: 19 01:13:59 -107.184329 0.000028 LBFGSLineSearch: 20 01:14:01 -107.184329 0.000030 LBFGSLineSearch: 21 01:14:02 -107.184329 0.000000 Minimization converged after 21 steps. Pressure: -52.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:11 -107.632925 0.032043 LBFGSLineSearch: 1 01:14:12 -107.632947 0.043005 LBFGSLineSearch: 2 01:14:12 -107.633010 0.130158 LBFGSLineSearch: 3 01:14:12 -107.633054 0.046461 LBFGSLineSearch: 4 01:14:14 -107.633061 0.011157 LBFGSLineSearch: 5 01:14:14 -107.633062 0.009686 LBFGSLineSearch: 6 01:14:15 -107.633078 0.003885 LBFGSLineSearch: 7 01:14:16 -107.633081 0.003623 LBFGSLineSearch: 8 01:14:17 -107.633084 0.004974 LBFGSLineSearch: 9 01:14:18 -107.633086 0.003149 LBFGSLineSearch: 10 01:14:18 -107.633087 0.004417 LBFGSLineSearch: 11 01:14:19 -107.633089 0.000648 LBFGSLineSearch: 12 01:14:20 -107.633089 0.001968 LBFGSLineSearch: 13 01:14:21 -107.633089 0.000962 LBFGSLineSearch: 14 01:14:21 -107.633089 0.000259 LBFGSLineSearch: 15 01:14:22 -107.633089 0.000115 LBFGSLineSearch: 16 01:14:22 -107.633089 0.000125 LBFGSLineSearch: 17 01:14:23 -107.633089 0.000083 LBFGSLineSearch: 18 01:14:23 -107.633089 0.000053 LBFGSLineSearch: 19 01:14:24 -107.633089 0.000030 LBFGSLineSearch: 20 01:14:24 -107.633089 0.000029 LBFGSLineSearch: 21 01:14:25 -107.633089 0.000000 Minimization converged after 21 steps. Pressure: -52.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:33 -108.082016 0.032066 LBFGSLineSearch: 1 01:14:34 -108.082038 0.043015 LBFGSLineSearch: 2 01:14:35 -108.082102 0.131280 LBFGSLineSearch: 3 01:14:36 -108.082147 0.047041 LBFGSLineSearch: 4 01:14:36 -108.082154 0.011321 LBFGSLineSearch: 5 01:14:39 -108.082155 0.009687 LBFGSLineSearch: 6 01:14:40 -108.082172 0.003878 LBFGSLineSearch: 7 01:14:41 -108.082174 0.003880 LBFGSLineSearch: 8 01:14:42 -108.082178 0.005150 LBFGSLineSearch: 9 01:14:42 -108.082179 0.003152 LBFGSLineSearch: 10 01:14:43 -108.082181 0.005052 LBFGSLineSearch: 11 01:14:43 -108.082183 0.000631 LBFGSLineSearch: 12 01:14:43 -108.082183 0.001998 LBFGSLineSearch: 13 01:14:43 -108.082183 0.000949 LBFGSLineSearch: 14 01:14:44 -108.082183 0.000236 LBFGSLineSearch: 15 01:14:44 -108.082183 0.000119 LBFGSLineSearch: 16 01:14:45 -108.082183 0.000132 LBFGSLineSearch: 17 01:14:45 -108.082183 0.000088 LBFGSLineSearch: 18 01:14:46 -108.082183 0.000055 LBFGSLineSearch: 19 01:14:46 -108.082183 0.000030 LBFGSLineSearch: 20 01:14:47 -108.082183 0.000023 LBFGSLineSearch: 21 01:14:47 -108.082183 0.000000 Minimization converged after 21 steps. Pressure: -53.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:57 -108.531445 0.032090 LBFGSLineSearch: 1 01:14:57 -108.531467 0.043028 LBFGSLineSearch: 2 01:14:58 -108.531531 0.132435 LBFGSLineSearch: 3 01:15:00 -108.531578 0.047660 LBFGSLineSearch: 4 01:15:02 -108.531585 0.011492 LBFGSLineSearch: 5 01:15:02 -108.531586 0.009694 LBFGSLineSearch: 6 01:15:03 -108.531603 0.003913 LBFGSLineSearch: 7 01:15:04 -108.531606 0.004176 LBFGSLineSearch: 8 01:15:04 -108.531609 0.005794 LBFGSLineSearch: 9 01:15:05 -108.531611 0.003215 LBFGSLineSearch: 10 01:15:05 -108.531612 0.005791 LBFGSLineSearch: 11 01:15:07 -108.531614 0.000615 LBFGSLineSearch: 12 01:15:10 -108.531614 0.001895 LBFGSLineSearch: 13 01:15:11 -108.531614 0.000958 LBFGSLineSearch: 14 01:15:11 -108.531614 0.000215 LBFGSLineSearch: 15 01:15:12 -108.531614 0.000121 LBFGSLineSearch: 16 01:15:13 -108.531614 0.000132 LBFGSLineSearch: 17 01:15:15 -108.531614 0.000087 LBFGSLineSearch: 18 01:15:17 -108.531614 0.000052 LBFGSLineSearch: 19 01:15:18 -108.531614 0.000030 LBFGSLineSearch: 20 01:15:18 -108.531614 0.000006 Minimization converged after 20 steps. Pressure: -53.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:15:28 -108.981217 0.032117 LBFGSLineSearch: 1 01:15:29 -108.981239 0.043028 LBFGSLineSearch: 2 01:15:30 -108.981305 0.133503 LBFGSLineSearch: 3 01:15:32 -108.981352 0.048328 LBFGSLineSearch: 4 01:15:33 -108.981360 0.011733 LBFGSLineSearch: 5 01:15:34 -108.981361 0.009659 LBFGSLineSearch: 6 01:15:35 -108.981379 0.003924 LBFGSLineSearch: 7 01:15:35 -108.981381 0.004524 LBFGSLineSearch: 8 01:15:36 -108.981385 0.006601 LBFGSLineSearch: 9 01:15:38 -108.981386 0.002720 LBFGSLineSearch: 10 01:15:40 -108.981389 0.004911 LBFGSLineSearch: 11 01:15:41 -108.981389 0.000802 LBFGSLineSearch: 12 01:15:43 -108.981389 0.001565 LBFGSLineSearch: 13 01:15:44 -108.981389 0.000579 LBFGSLineSearch: 14 01:15:44 -108.981390 0.000538 LBFGSLineSearch: 15 01:15:45 -108.981390 0.000161 LBFGSLineSearch: 16 01:15:45 -108.981390 0.000216 LBFGSLineSearch: 17 01:15:46 -108.981390 0.000074 LBFGSLineSearch: 18 01:15:46 -108.981390 0.000062 LBFGSLineSearch: 19 01:15:46 -108.981390 0.000030 LBFGSLineSearch: 20 01:15:47 -108.981390 0.000028 LBFGSLineSearch: 21 01:15:47 -108.981390 0.000000 Minimization converged after 21 steps. Pressure: -54.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:15:57 -109.431338 0.032139 LBFGSLineSearch: 1 01:15:57 -109.431361 0.043055 LBFGSLineSearch: 2 01:15:58 -109.431427 0.134845 LBFGSLineSearch: 3 01:16:00 -109.431476 0.048973 LBFGSLineSearch: 4 01:16:02 -109.431484 0.011868 LBFGSLineSearch: 5 01:16:04 -109.431484 0.009864 LBFGSLineSearch: 6 01:16:07 -109.431503 0.003945 LBFGSLineSearch: 7 01:16:09 -109.431506 0.004947 LBFGSLineSearch: 8 01:16:10 -109.431509 0.007596 LBFGSLineSearch: 9 01:16:11 -109.431511 0.003431 LBFGSLineSearch: 10 01:16:12 -109.431514 0.003843 LBFGSLineSearch: 11 01:16:12 -109.431514 0.000594 LBFGSLineSearch: 12 01:16:13 -109.431514 0.001647 LBFGSLineSearch: 13 01:16:14 -109.431514 0.000570 LBFGSLineSearch: 14 01:16:15 -109.431514 0.000323 LBFGSLineSearch: 15 01:16:15 -109.431514 0.000131 LBFGSLineSearch: 16 01:16:16 -109.431514 0.000158 LBFGSLineSearch: 17 01:16:16 -109.431514 0.000103 LBFGSLineSearch: 18 01:16:17 -109.431514 0.000044 LBFGSLineSearch: 19 01:16:17 -109.431514 0.000029 LBFGSLineSearch: 20 01:16:17 -109.431514 0.000019 LBFGSLineSearch: 21 01:16:18 -109.431514 0.000000 Minimization converged after 21 steps. Pressure: -54.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:16:27 -109.881816 0.032164 LBFGSLineSearch: 1 01:16:27 -109.881838 0.043070 LBFGSLineSearch: 2 01:16:28 -109.881904 0.136116 LBFGSLineSearch: 3 01:16:30 -109.881955 0.049681 LBFGSLineSearch: 4 01:16:30 -109.881963 0.012073 LBFGSLineSearch: 5 01:16:32 -109.881964 0.010080 LBFGSLineSearch: 6 01:16:32 -109.881983 0.003943 LBFGSLineSearch: 7 01:16:33 -109.881986 0.005454 LBFGSLineSearch: 8 01:16:34 -109.881989 0.008815 LBFGSLineSearch: 9 01:16:34 -109.881991 0.004932 LBFGSLineSearch: 10 01:16:34 -109.881994 0.001634 LBFGSLineSearch: 11 01:16:35 -109.881994 0.000558 LBFGSLineSearch: 12 01:16:35 -109.881994 0.000635 LBFGSLineSearch: 13 01:16:35 -109.881994 0.000518 LBFGSLineSearch: 14 01:16:36 -109.881994 0.000317 LBFGSLineSearch: 15 01:16:36 -109.881994 0.000118 LBFGSLineSearch: 16 01:16:37 -109.881994 0.000120 LBFGSLineSearch: 17 01:16:37 -109.881994 0.000113 LBFGSLineSearch: 18 01:16:38 -109.881994 0.000060 LBFGSLineSearch: 19 01:16:38 -109.881994 0.000027 LBFGSLineSearch: 20 01:16:39 -109.881994 0.000027 LBFGSLineSearch: 21 01:16:39 -109.881994 0.000016 LBFGSLineSearch: 22 01:16:40 -109.881994 0.000000 Minimization converged after 22 steps. Pressure: -55.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:16:49 -110.332655 0.032190 LBFGSLineSearch: 1 01:16:50 -110.332677 0.043084 LBFGSLineSearch: 2 01:16:50 -110.332744 0.137420 LBFGSLineSearch: 3 01:16:51 -110.332796 0.050434 LBFGSLineSearch: 4 01:16:51 -110.332805 0.012283 LBFGSLineSearch: 5 01:16:52 -110.332805 0.010307 LBFGSLineSearch: 6 01:16:52 -110.332826 0.003908 LBFGSLineSearch: 7 01:16:52 -110.332829 0.006059 LBFGSLineSearch: 8 01:16:53 -110.332832 0.009165 LBFGSLineSearch: 9 01:16:53 -110.332833 0.005137 LBFGSLineSearch: 10 01:16:54 -110.332836 0.001338 LBFGSLineSearch: 11 01:16:54 -110.332837 0.000567 LBFGSLineSearch: 12 01:16:54 -110.332837 0.000565 LBFGSLineSearch: 13 01:16:55 -110.332837 0.000494 LBFGSLineSearch: 14 01:16:56 -110.332837 0.000215 LBFGSLineSearch: 15 01:16:56 -110.332837 0.000110 LBFGSLineSearch: 16 01:16:57 -110.332837 0.000128 LBFGSLineSearch: 17 01:16:57 -110.332837 0.000101 LBFGSLineSearch: 18 01:16:58 -110.332837 0.000056 LBFGSLineSearch: 19 01:16:59 -110.332837 0.000024 LBFGSLineSearch: 20 01:17:00 -110.332837 0.000026 LBFGSLineSearch: 21 01:17:01 -110.332837 0.000018 LBFGSLineSearch: 22 01:17:02 -110.332837 0.000000 Minimization converged after 22 steps. Pressure: -55.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:17:11 -110.783863 0.032216 LBFGSLineSearch: 1 01:17:12 -110.783885 0.043099 LBFGSLineSearch: 2 01:17:13 -110.783953 0.138772 LBFGSLineSearch: 3 01:17:14 -110.784006 0.051224 LBFGSLineSearch: 4 01:17:14 -110.784015 0.012504 LBFGSLineSearch: 5 01:17:15 -110.784016 0.010560 LBFGSLineSearch: 6 01:17:15 -110.784037 0.003883 LBFGSLineSearch: 7 01:17:16 -110.784040 0.006801 LBFGSLineSearch: 8 01:17:16 -110.784043 0.009216 LBFGSLineSearch: 9 01:17:17 -110.784045 0.004791 LBFGSLineSearch: 10 01:17:18 -110.784048 0.001416 LBFGSLineSearch: 11 01:17:18 -110.784048 0.000577 LBFGSLineSearch: 12 01:17:19 -110.784048 0.000564 LBFGSLineSearch: 13 01:17:21 -110.784048 0.000477 LBFGSLineSearch: 14 01:17:22 -110.784048 0.000210 LBFGSLineSearch: 15 01:17:23 -110.784049 0.000110 LBFGSLineSearch: 16 01:17:23 -110.784049 0.000132 LBFGSLineSearch: 17 01:17:24 -110.784049 0.000110 LBFGSLineSearch: 18 01:17:24 -110.784049 0.000036 LBFGSLineSearch: 19 01:17:26 -110.784049 0.000021 LBFGSLineSearch: 20 01:17:28 -110.784049 0.000024 LBFGSLineSearch: 21 01:17:29 -110.784049 0.000022 LBFGSLineSearch: 22 01:17:29 -110.784049 0.000000 Minimization converged after 22 steps. Pressure: -56.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:17:39 -111.235447 0.032243 LBFGSLineSearch: 1 01:17:40 -111.235470 0.043116 LBFGSLineSearch: 2 01:17:41 -111.235539 0.140182 LBFGSLineSearch: 3 01:17:42 -111.235594 0.052064 LBFGSLineSearch: 4 01:17:42 -111.235603 0.012745 LBFGSLineSearch: 5 01:17:43 -111.235603 0.010828 LBFGSLineSearch: 6 01:17:44 -111.235626 0.003833 LBFGSLineSearch: 7 01:17:46 -111.235629 0.007660 LBFGSLineSearch: 8 01:17:47 -111.235632 0.009321 LBFGSLineSearch: 9 01:17:47 -111.235633 0.004353 LBFGSLineSearch: 10 01:17:48 -111.235636 0.001403 LBFGSLineSearch: 11 01:17:48 -111.235637 0.000588 LBFGSLineSearch: 12 01:17:49 -111.235637 0.000558 LBFGSLineSearch: 13 01:17:50 -111.235637 0.000465 LBFGSLineSearch: 14 01:17:50 -111.235637 0.000217 LBFGSLineSearch: 15 01:17:50 -111.235637 0.000112 LBFGSLineSearch: 16 01:17:52 -111.235637 0.000135 LBFGSLineSearch: 17 01:17:53 -111.235637 0.000118 LBFGSLineSearch: 18 01:17:53 -111.235637 0.000030 LBFGSLineSearch: 19 01:17:54 -111.235637 0.000019 LBFGSLineSearch: 20 01:17:55 -111.235637 0.000012 LBFGSLineSearch: 21 01:17:56 -111.235637 0.000008 Minimization converged after 21 steps. Pressure: -56.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:05 -111.687417 0.032273 LBFGSLineSearch: 1 01:18:05 -111.687439 0.043144 LBFGSLineSearch: 2 01:18:06 -111.687509 0.141660 LBFGSLineSearch: 3 01:18:06 -111.687565 0.052974 LBFGSLineSearch: 4 01:18:06 -111.687575 0.013019 LBFGSLineSearch: 5 01:18:07 -111.687576 0.011123 LBFGSLineSearch: 6 01:18:09 -111.687599 0.003822 LBFGSLineSearch: 7 01:18:09 -111.687603 0.008766 LBFGSLineSearch: 8 01:18:09 -111.687605 0.008899 LBFGSLineSearch: 9 01:18:10 -111.687607 0.004002 LBFGSLineSearch: 10 01:18:10 -111.687610 0.001343 LBFGSLineSearch: 11 01:18:10 -111.687610 0.000601 LBFGSLineSearch: 12 01:18:11 -111.687610 0.000550 LBFGSLineSearch: 13 01:18:11 -111.687610 0.000459 LBFGSLineSearch: 14 01:18:12 -111.687611 0.000217 LBFGSLineSearch: 15 01:18:12 -111.687611 0.000128 LBFGSLineSearch: 16 01:18:13 -111.687611 0.000143 LBFGSLineSearch: 17 01:18:13 -111.687611 0.000059 LBFGSLineSearch: 18 01:18:14 -111.687611 0.000033 LBFGSLineSearch: 19 01:18:15 -111.687611 0.000013 LBFGSLineSearch: 20 01:18:16 -111.687611 0.000003 Minimization converged after 20 steps. Pressure: -57.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:24 -112.139779 0.032298 LBFGSLineSearch: 1 01:18:24 -112.139802 0.043136 LBFGSLineSearch: 2 01:18:25 -112.139872 0.143120 LBFGSLineSearch: 3 01:18:26 -112.139931 0.053899 LBFGSLineSearch: 4 01:18:26 -112.139941 0.013221 LBFGSLineSearch: 5 01:18:27 -112.139942 0.011444 LBFGSLineSearch: 6 01:18:28 -112.139966 0.003733 LBFGSLineSearch: 7 01:18:29 -112.139970 0.009578 LBFGSLineSearch: 8 01:18:29 -112.139972 0.007632 LBFGSLineSearch: 9 01:18:30 -112.139974 0.003268 LBFGSLineSearch: 10 01:18:31 -112.139977 0.001962 LBFGSLineSearch: 11 01:18:31 -112.139978 0.000620 LBFGSLineSearch: 12 01:18:32 -112.139978 0.000669 LBFGSLineSearch: 13 01:18:33 -112.139978 0.000469 LBFGSLineSearch: 14 01:18:35 -112.139978 0.000256 LBFGSLineSearch: 15 01:18:35 -112.139978 0.000147 LBFGSLineSearch: 16 01:18:36 -112.139978 0.000123 LBFGSLineSearch: 17 01:18:36 -112.139978 0.000072 LBFGSLineSearch: 18 01:18:36 -112.139978 0.000058 LBFGSLineSearch: 19 01:18:37 -112.139978 0.000008 Minimization converged after 19 steps. Pressure: -57.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:45 -112.592545 0.032333 LBFGSLineSearch: 1 01:18:46 -112.592568 0.043180 LBFGSLineSearch: 2 01:18:48 -112.592639 0.144748 LBFGSLineSearch: 3 01:18:48 -112.592699 0.054922 LBFGSLineSearch: 4 01:18:49 -112.592710 0.013579 LBFGSLineSearch: 5 01:18:50 -112.592711 0.011776 LBFGSLineSearch: 6 01:18:50 -112.592737 0.003725 LBFGSLineSearch: 7 01:18:52 -112.592740 0.010086 LBFGSLineSearch: 8 01:18:53 -112.592743 0.004914 LBFGSLineSearch: 9 01:18:54 -112.592745 0.002624 LBFGSLineSearch: 10 01:18:55 -112.592748 0.005752 LBFGSLineSearch: 11 01:18:55 -112.592748 0.001451 LBFGSLineSearch: 12 01:18:56 -112.592748 0.000598 LBFGSLineSearch: 13 01:18:56 -112.592748 0.001746 LBFGSLineSearch: 14 01:18:57 -112.592748 0.000550 LBFGSLineSearch: 15 01:18:57 -112.592748 0.000224 LBFGSLineSearch: 16 01:18:58 -112.592748 0.000154 LBFGSLineSearch: 17 01:18:58 -112.592748 0.000126 LBFGSLineSearch: 18 01:18:59 -112.592748 0.000108 LBFGSLineSearch: 19 01:19:00 -112.592748 0.000086 LBFGSLineSearch: 20 01:19:00 -112.592748 0.000035 LBFGSLineSearch: 21 01:19:01 -112.592748 0.000007 Minimization converged after 21 steps. Pressure: -58.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:11 -113.045724 0.032357 LBFGSLineSearch: 1 01:19:12 -113.045747 0.043082 LBFGSLineSearch: 2 01:19:13 -113.045820 0.146182 LBFGSLineSearch: 3 01:19:14 -113.045881 0.055783 LBFGSLineSearch: 4 01:19:15 -113.045892 0.013761 LBFGSLineSearch: 5 01:19:16 -113.045893 0.012174 LBFGSLineSearch: 6 01:19:17 -113.045921 0.004130 LBFGSLineSearch: 7 01:19:18 -113.045925 0.011392 LBFGSLineSearch: 8 01:19:19 -113.045927 0.003398 LBFGSLineSearch: 9 01:19:20 -113.045929 0.004423 LBFGSLineSearch: 10 01:19:20 -113.045931 0.008428 LBFGSLineSearch: 11 01:19:21 -113.045932 0.003331 LBFGSLineSearch: 12 01:19:21 -113.045932 0.000614 LBFGSLineSearch: 13 01:19:22 -113.045932 0.001782 LBFGSLineSearch: 14 01:19:23 -113.045932 0.000480 LBFGSLineSearch: 15 01:19:23 -113.045932 0.000246 LBFGSLineSearch: 16 01:19:24 -113.045932 0.000177 LBFGSLineSearch: 17 01:19:24 -113.045932 0.000133 LBFGSLineSearch: 18 01:19:25 -113.045932 0.000113 LBFGSLineSearch: 19 01:19:25 -113.045932 0.000099 LBFGSLineSearch: 20 01:19:26 -113.045932 0.000049 LBFGSLineSearch: 21 01:19:26 -113.045932 0.000008 Minimization converged after 21 steps. Pressure: -58.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:35 -113.499327 0.032392 LBFGSLineSearch: 1 01:19:37 -113.499350 0.043242 LBFGSLineSearch: 2 01:19:40 -113.499423 0.148147 LBFGSLineSearch: 3 01:19:43 -113.499488 0.057198 LBFGSLineSearch: 4 01:19:45 -113.499499 0.014259 LBFGSLineSearch: 5 01:19:45 -113.499500 0.012559 LBFGSLineSearch: 6 01:19:46 -113.499529 0.004522 LBFGSLineSearch: 7 01:19:47 -113.499533 0.012887 LBFGSLineSearch: 8 01:19:48 -113.499535 0.005444 LBFGSLineSearch: 9 01:19:51 -113.499537 0.003074 LBFGSLineSearch: 10 01:19:53 -113.499538 0.010820 LBFGSLineSearch: 11 01:19:55 -113.499541 0.002442 LBFGSLineSearch: 12 01:19:56 -113.499541 0.000684 LBFGSLineSearch: 13 01:19:56 -113.499541 0.000534 LBFGSLineSearch: 14 01:19:57 -113.499541 0.002392 LBFGSLineSearch: 15 01:19:57 -113.499541 0.000761 LBFGSLineSearch: 16 01:19:57 -113.499541 0.000223 LBFGSLineSearch: 17 01:19:58 -113.499541 0.000547 LBFGSLineSearch: 18 01:19:58 -113.499542 0.000532 LBFGSLineSearch: 19 01:19:59 -113.499542 0.000167 LBFGSLineSearch: 20 01:19:59 -113.499542 0.000286 LBFGSLineSearch: 21 01:20:00 -113.499542 0.000020 LBFGSLineSearch: 22 01:20:02 -113.499542 0.000018 LBFGSLineSearch: 23 01:20:02 -113.499542 0.000000 Minimization converged after 23 steps. Pressure: -59.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:11 -113.953367 0.032416 LBFGSLineSearch: 1 01:20:12 -113.953390 0.043256 LBFGSLineSearch: 2 01:20:13 -113.953464 0.149961 LBFGSLineSearch: 3 01:20:14 -113.953531 0.058418 LBFGSLineSearch: 4 01:20:14 -113.953543 0.014596 LBFGSLineSearch: 5 01:20:15 -113.953544 0.013009 LBFGSLineSearch: 6 01:20:17 -113.953575 0.005082 LBFGSLineSearch: 7 01:20:17 -113.953579 0.015070 LBFGSLineSearch: 8 01:20:18 -113.953582 0.003405 LBFGSLineSearch: 9 01:20:20 -113.953585 0.011891 LBFGSLineSearch: 10 01:20:20 -113.953587 0.004018 LBFGSLineSearch: 11 01:20:21 -113.953587 0.001351 LBFGSLineSearch: 12 01:20:21 -113.953588 0.002796 LBFGSLineSearch: 13 01:20:24 -113.953588 0.000625 LBFGSLineSearch: 14 01:20:25 -113.953588 0.000687 LBFGSLineSearch: 15 01:20:27 -113.953588 0.000247 LBFGSLineSearch: 16 01:20:28 -113.953588 0.000216 LBFGSLineSearch: 17 01:20:29 -113.953588 0.000190 LBFGSLineSearch: 18 01:20:30 -113.953588 0.000102 LBFGSLineSearch: 19 01:20:31 -113.953588 0.000040 LBFGSLineSearch: 20 01:20:32 -113.953588 0.000030 LBFGSLineSearch: 21 01:20:33 -113.953588 0.000007 Minimization converged after 21 steps. Pressure: -59.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:43 -114.407858 0.032455 LBFGSLineSearch: 1 01:20:43 -114.407881 0.043336 LBFGSLineSearch: 2 01:20:44 -114.407955 0.151897 LBFGSLineSearch: 3 01:20:45 -114.408026 0.059924 LBFGSLineSearch: 4 01:20:46 -114.408038 0.015121 LBFGSLineSearch: 5 01:20:47 -114.408039 0.013491 LBFGSLineSearch: 6 01:20:48 -114.408073 0.005676 LBFGSLineSearch: 7 01:20:49 -114.408077 0.016799 LBFGSLineSearch: 8 01:20:49 -114.408080 0.003001 LBFGSLineSearch: 9 01:20:50 -114.408083 0.004159 LBFGSLineSearch: 10 01:20:50 -114.408085 0.001621 LBFGSLineSearch: 11 01:20:52 -114.408085 0.001742 LBFGSLineSearch: 12 01:20:53 -114.408086 0.000515 LBFGSLineSearch: 13 01:20:54 -114.408086 0.000690 LBFGSLineSearch: 14 01:20:54 -114.408086 0.000307 LBFGSLineSearch: 15 01:20:55 -114.408086 0.000442 LBFGSLineSearch: 16 01:20:56 -114.408086 0.000169 LBFGSLineSearch: 17 01:20:57 -114.408086 0.000185 LBFGSLineSearch: 18 01:20:57 -114.408086 0.000198 LBFGSLineSearch: 19 01:20:57 -114.408086 0.000060 LBFGSLineSearch: 20 01:20:58 -114.408086 0.000047 LBFGSLineSearch: 21 01:20:58 -114.408086 0.000026 LBFGSLineSearch: 22 01:20:58 -114.408086 0.000007 Minimization converged after 22 steps. Pressure: -60.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:08 -114.862814 0.032487 LBFGSLineSearch: 1 01:21:08 -114.862838 0.043322 LBFGSLineSearch: 2 01:21:09 -114.862898 0.220396 LBFGSLineSearch: 3 01:21:10 -114.862974 0.076549 LBFGSLineSearch: 4 01:21:11 -114.862989 0.060259 LBFGSLineSearch: 5 01:21:11 -114.862993 0.054749 LBFGSLineSearch: 6 01:21:12 -114.863012 0.021361 LBFGSLineSearch: 7 01:21:12 -114.863038 0.004456 LBFGSLineSearch: 8 01:21:13 -114.863043 0.003521 LBFGSLineSearch: 9 01:21:13 -114.863045 0.003373 LBFGSLineSearch: 10 01:21:14 -114.863046 0.002904 LBFGSLineSearch: 11 01:21:16 -114.863049 0.002045 LBFGSLineSearch: 12 01:21:19 -114.863050 0.000754 LBFGSLineSearch: 13 01:21:22 -114.863050 0.000631 LBFGSLineSearch: 14 01:21:22 -114.863050 0.001646 LBFGSLineSearch: 15 01:21:23 -114.863051 0.000320 LBFGSLineSearch: 16 01:21:23 -114.863051 0.000208 LBFGSLineSearch: 17 01:21:24 -114.863051 0.000423 LBFGSLineSearch: 18 01:21:24 -114.863051 0.000068 LBFGSLineSearch: 19 01:21:25 -114.863051 0.000108 LBFGSLineSearch: 20 01:21:25 -114.863051 0.000042 LBFGSLineSearch: 21 01:21:26 -114.863051 0.000000 Minimization converged after 21 steps. Pressure: -60.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:35 -115.318255 0.032515 LBFGSLineSearch: 1 01:21:36 -115.318278 0.043361 LBFGSLineSearch: 2 01:21:36 -115.318340 0.221639 LBFGSLineSearch: 3 01:21:38 -115.318419 0.076808 LBFGSLineSearch: 4 01:21:39 -115.318435 0.059816 LBFGSLineSearch: 5 01:21:39 -115.318439 0.054229 LBFGSLineSearch: 6 01:21:40 -115.318459 0.022921 LBFGSLineSearch: 7 01:21:41 -115.318487 0.004576 LBFGSLineSearch: 8 01:21:41 -115.318492 0.003441 LBFGSLineSearch: 9 01:21:42 -115.318494 0.003351 LBFGSLineSearch: 10 01:21:42 -115.318495 0.003159 LBFGSLineSearch: 11 01:21:43 -115.318498 0.002594 LBFGSLineSearch: 12 01:21:43 -115.318500 0.000921 LBFGSLineSearch: 13 01:21:43 -115.318500 0.000648 LBFGSLineSearch: 14 01:21:43 -115.318500 0.000942 LBFGSLineSearch: 15 01:21:44 -115.318500 0.000399 LBFGSLineSearch: 16 01:21:45 -115.318500 0.000357 LBFGSLineSearch: 17 01:21:45 -115.318500 0.000262 LBFGSLineSearch: 18 01:21:46 -115.318500 0.000257 LBFGSLineSearch: 19 01:21:46 -115.318500 0.000086 LBFGSLineSearch: 20 01:21:47 -115.318500 0.000071 LBFGSLineSearch: 21 01:21:47 -115.318500 0.000040 LBFGSLineSearch: 22 01:21:48 -115.318500 0.000001 Minimization converged after 22 steps. Pressure: -61.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:58 -115.774199 0.032551 LBFGSLineSearch: 1 01:22:00 -115.774222 0.043411 LBFGSLineSearch: 2 01:22:00 -115.774286 0.222945 LBFGSLineSearch: 3 01:22:01 -115.774369 0.077064 LBFGSLineSearch: 4 01:22:01 -115.774386 0.059374 LBFGSLineSearch: 5 01:22:02 -115.774389 0.053678 LBFGSLineSearch: 6 01:22:03 -115.774410 0.024743 LBFGSLineSearch: 7 01:22:06 -115.774441 0.004733 LBFGSLineSearch: 8 01:22:07 -115.774447 0.003289 LBFGSLineSearch: 9 01:22:08 -115.774448 0.003325 LBFGSLineSearch: 10 01:22:08 -115.774450 0.003364 LBFGSLineSearch: 11 01:22:08 -115.774452 0.002845 LBFGSLineSearch: 12 01:22:09 -115.774454 0.001081 LBFGSLineSearch: 13 01:22:09 -115.774455 0.000703 LBFGSLineSearch: 14 01:22:10 -115.774455 0.000872 LBFGSLineSearch: 15 01:22:11 -115.774455 0.000491 LBFGSLineSearch: 16 01:22:12 -115.774455 0.000432 LBFGSLineSearch: 17 01:22:12 -115.774455 0.000274 LBFGSLineSearch: 18 01:22:13 -115.774455 0.000315 LBFGSLineSearch: 19 01:22:13 -115.774455 0.000098 LBFGSLineSearch: 20 01:22:14 -115.774455 0.000282 LBFGSLineSearch: 21 01:22:15 -115.774455 0.000038 LBFGSLineSearch: 22 01:22:16 -115.774455 0.000000 Minimization converged after 22 steps. Pressure: -61.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:25 -116.230671 0.032587 LBFGSLineSearch: 1 01:22:25 -116.230694 0.043445 LBFGSLineSearch: 2 01:22:26 -116.230760 0.224308 LBFGSLineSearch: 3 01:22:26 -116.230847 0.077487 LBFGSLineSearch: 4 01:22:27 -116.230864 0.058775 LBFGSLineSearch: 5 01:22:28 -116.230868 0.053038 LBFGSLineSearch: 6 01:22:28 -116.230890 0.026893 LBFGSLineSearch: 7 01:22:29 -116.230924 0.004921 LBFGSLineSearch: 8 01:22:29 -116.230930 0.003931 LBFGSLineSearch: 9 01:22:29 -116.230932 0.003303 LBFGSLineSearch: 10 01:22:30 -116.230933 0.003446 LBFGSLineSearch: 11 01:22:30 -116.230935 0.003186 LBFGSLineSearch: 12 01:22:31 -116.230938 0.002211 LBFGSLineSearch: 13 01:22:31 -116.230939 0.001594 LBFGSLineSearch: 14 01:22:32 -116.230939 0.001097 LBFGSLineSearch: 15 01:22:33 -116.230939 0.000614 LBFGSLineSearch: 16 01:22:33 -116.230940 0.000533 LBFGSLineSearch: 17 01:22:34 -116.230940 0.000793 LBFGSLineSearch: 18 01:22:34 -116.230940 0.000348 LBFGSLineSearch: 19 01:22:35 -116.230940 0.000615 LBFGSLineSearch: 20 01:22:35 -116.230940 0.000344 LBFGSLineSearch: 21 01:22:36 -116.230940 0.000131 LBFGSLineSearch: 22 01:22:37 -116.230940 0.000003 Minimization converged after 22 steps. Pressure: -62.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:45 -116.687699 0.032626 LBFGSLineSearch: 1 01:22:45 -116.687722 0.043532 LBFGSLineSearch: 2 01:22:46 -116.687789 0.227251 LBFGSLineSearch: 3 01:22:46 -116.687881 0.079022 LBFGSLineSearch: 4 01:22:47 -116.687900 0.059216 LBFGSLineSearch: 5 01:22:48 -116.687903 0.053316 LBFGSLineSearch: 6 01:22:49 -116.687927 0.029487 LBFGSLineSearch: 7 01:22:49 -116.687966 0.005174 LBFGSLineSearch: 8 01:22:50 -116.687973 0.004850 LBFGSLineSearch: 9 01:22:51 -116.687975 0.003913 LBFGSLineSearch: 10 01:22:51 -116.687977 0.003271 LBFGSLineSearch: 11 01:22:52 -116.687982 0.002194 LBFGSLineSearch: 12 01:22:52 -116.687983 0.008083 LBFGSLineSearch: 13 01:22:54 -116.687983 0.002917 LBFGSLineSearch: 14 01:22:56 -116.687983 0.001052 LBFGSLineSearch: 15 01:22:58 -116.687983 0.005382 LBFGSLineSearch: 16 01:22:59 -116.687984 0.000637 LBFGSLineSearch: 17 01:23:00 -116.687984 0.000383 LBFGSLineSearch: 18 01:23:01 -116.687984 0.000574 LBFGSLineSearch: 19 01:23:02 -116.687984 0.000134 LBFGSLineSearch: 20 01:23:03 -116.687984 0.000517 LBFGSLineSearch: 21 01:23:03 -116.687984 0.000095 LBFGSLineSearch: 22 01:23:05 -116.687984 0.000000 Minimization converged after 22 steps. Pressure: -62.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:14 -117.145320 0.032667 LBFGSLineSearch: 1 01:23:15 -117.145344 0.043550 LBFGSLineSearch: 2 01:23:15 -117.145414 0.227233 LBFGSLineSearch: 3 01:23:16 -117.145511 0.078520 LBFGSLineSearch: 4 01:23:16 -117.145531 0.057417 LBFGSLineSearch: 5 01:23:17 -117.145534 0.051495 LBFGSLineSearch: 6 01:23:17 -117.145556 0.066781 LBFGSLineSearch: 7 01:23:18 -117.145586 0.024668 LBFGSLineSearch: 8 01:23:18 -117.145606 0.004785 LBFGSLineSearch: 9 01:23:19 -117.145613 0.003147 LBFGSLineSearch: 10 01:23:19 -117.145615 0.003277 LBFGSLineSearch: 11 01:23:19 -117.145617 0.003353 LBFGSLineSearch: 12 01:23:19 -117.145618 0.003119 LBFGSLineSearch: 13 01:23:20 -117.145622 0.002264 LBFGSLineSearch: 14 01:23:21 -117.145623 0.002093 LBFGSLineSearch: 15 01:23:22 -117.145624 0.001454 LBFGSLineSearch: 16 01:23:23 -117.145625 0.000910 LBFGSLineSearch: 17 01:23:23 -117.145625 0.000905 LBFGSLineSearch: 18 01:23:25 -117.145625 0.001010 LBFGSLineSearch: 19 01:23:26 -117.145626 0.000524 LBFGSLineSearch: 20 01:23:27 -117.145626 0.000511 LBFGSLineSearch: 21 01:23:28 -117.145626 0.000556 LBFGSLineSearch: 22 01:23:28 -117.145626 0.000140 LBFGSLineSearch: 23 01:23:29 -117.145626 0.000101 LBFGSLineSearch: 24 01:23:29 -117.145626 0.000001 Minimization converged after 24 steps. Pressure: -63.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:38 -117.603582 0.032711 LBFGSLineSearch: 1 01:23:38 -117.603605 0.043622 LBFGSLineSearch: 2 01:23:39 -117.603678 0.229022 LBFGSLineSearch: 3 01:23:40 -117.603781 0.079462 LBFGSLineSearch: 4 01:23:41 -117.603803 0.056800 LBFGSLineSearch: 5 01:23:42 -117.603806 0.050769 LBFGSLineSearch: 6 01:23:42 -117.603834 0.059852 LBFGSLineSearch: 7 01:23:43 -117.603875 0.034405 LBFGSLineSearch: 8 01:23:44 -117.603887 0.011262 LBFGSLineSearch: 9 01:23:45 -117.603892 0.004301 LBFGSLineSearch: 10 01:23:46 -117.603897 0.015246 LBFGSLineSearch: 11 01:23:47 -117.603901 0.003497 LBFGSLineSearch: 12 01:23:48 -117.603904 0.003151 LBFGSLineSearch: 13 01:23:48 -117.603907 0.004372 LBFGSLineSearch: 14 01:23:49 -117.603910 0.001864 LBFGSLineSearch: 15 01:23:50 -117.603911 0.001410 LBFGSLineSearch: 16 01:23:51 -117.603912 0.001162 LBFGSLineSearch: 17 01:23:52 -117.603912 0.001830 LBFGSLineSearch: 18 01:23:52 -117.603914 0.000931 LBFGSLineSearch: 19 01:23:53 -117.603914 0.000987 LBFGSLineSearch: 20 01:23:54 -117.603914 0.000734 LBFGSLineSearch: 21 01:23:55 -117.603914 0.000172 LBFGSLineSearch: 22 01:23:55 -117.603914 0.000291 LBFGSLineSearch: 23 01:23:56 -117.603914 0.000110 LBFGSLineSearch: 24 01:23:56 -117.603914 0.000000 Minimization converged after 24 steps. Pressure: -63.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:05 -118.062546 0.032759 LBFGSLineSearch: 1 01:24:05 -118.062570 0.043687 LBFGSLineSearch: 2 01:24:06 -118.062646 0.230471 LBFGSLineSearch: 3 01:24:06 -118.062756 0.080259 LBFGSLineSearch: 4 01:24:07 -118.062780 0.055692 LBFGSLineSearch: 5 01:24:08 -118.062783 0.049560 LBFGSLineSearch: 6 01:24:08 -118.062817 0.052359 LBFGSLineSearch: 7 01:24:09 -118.062876 0.016135 LBFGSLineSearch: 8 01:24:10 -118.062885 0.025525 LBFGSLineSearch: 9 01:24:11 -118.062893 0.008284 LBFGSLineSearch: 10 01:24:12 -118.062899 0.003882 LBFGSLineSearch: 11 01:24:13 -118.062905 0.010723 LBFGSLineSearch: 12 01:24:14 -118.062907 0.005846 LBFGSLineSearch: 13 01:24:14 -118.062911 0.002030 LBFGSLineSearch: 14 01:24:15 -118.062912 0.001559 LBFGSLineSearch: 15 01:24:16 -118.062913 0.003112 LBFGSLineSearch: 16 01:24:16 -118.062917 0.001221 LBFGSLineSearch: 17 01:24:17 -118.062917 0.000762 LBFGSLineSearch: 18 01:24:18 -118.062917 0.000724 LBFGSLineSearch: 19 01:24:18 -118.062917 0.001128 LBFGSLineSearch: 20 01:24:19 -118.062917 0.000151 LBFGSLineSearch: 21 01:24:19 -118.062917 0.000161 LBFGSLineSearch: 22 01:24:20 -118.062917 0.000204 LBFGSLineSearch: 23 01:24:21 -118.062917 0.000083 LBFGSLineSearch: 24 01:24:23 -118.062917 0.000018 LBFGSLineSearch: 25 01:24:24 -118.062917 0.000000 Minimization converged after 25 steps. Pressure: -64.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:30 -118.522310 0.032814 LBFGSLineSearch: 1 01:24:30 -118.522334 0.043778 LBFGSLineSearch: 2 01:24:31 -118.522414 0.232295 LBFGSLineSearch: 3 01:24:31 -118.522533 0.081645 LBFGSLineSearch: 4 01:24:32 -118.522559 0.054596 LBFGSLineSearch: 5 01:24:32 -118.522563 0.048304 LBFGSLineSearch: 6 01:24:33 -118.522604 0.045402 LBFGSLineSearch: 7 01:24:34 -118.522673 0.038877 LBFGSLineSearch: 8 01:24:34 -118.522685 0.006407 LBFGSLineSearch: 9 01:24:35 -118.522694 0.014388 LBFGSLineSearch: 10 01:24:36 -118.522701 0.018494 LBFGSLineSearch: 11 01:24:37 -118.522708 0.010990 LBFGSLineSearch: 12 01:24:37 -118.522712 0.003875 LBFGSLineSearch: 13 01:24:38 -118.522714 0.006596 LBFGSLineSearch: 14 01:24:39 -118.522718 0.008270 LBFGSLineSearch: 15 01:24:39 -118.522725 0.011746 LBFGSLineSearch: 16 01:24:40 -118.522730 0.012303 LBFGSLineSearch: 17 01:24:40 -118.522734 0.014391 LBFGSLineSearch: 18 01:24:42 -118.522740 0.003496 LBFGSLineSearch: 19 01:24:43 -118.522744 0.011996 LBFGSLineSearch: 20 01:24:43 -118.522749 0.002072 LBFGSLineSearch: 21 01:24:44 -118.522750 0.000936 LBFGSLineSearch: 22 01:24:44 -118.522750 0.000808 LBFGSLineSearch: 23 01:24:45 -118.522750 0.000746 LBFGSLineSearch: 24 01:24:45 -118.522750 0.000607 LBFGSLineSearch: 25 01:24:46 -118.522750 0.000494 LBFGSLineSearch: 26 01:24:46 -118.522750 0.000080 LBFGSLineSearch: 27 01:24:46 -118.522750 0.000104 LBFGSLineSearch: 28 01:24:47 -118.522750 0.000050 LBFGSLineSearch: 29 01:24:48 -118.522750 0.000001 Minimization converged after 29 steps. Pressure: -64.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:55 -118.983063 0.032880 LBFGSLineSearch: 1 01:24:56 -118.983088 0.043880 LBFGSLineSearch: 2 01:24:56 -118.983172 0.234116 LBFGSLineSearch: 3 01:24:57 -118.983304 0.083670 LBFGSLineSearch: 4 01:24:58 -118.983334 0.052898 LBFGSLineSearch: 5 01:24:59 -118.983338 0.046469 LBFGSLineSearch: 6 01:24:59 -118.983390 0.038320 LBFGSLineSearch: 7 01:25:00 -118.983473 0.077277 LBFGSLineSearch: 8 01:25:00 -118.983513 0.023870 LBFGSLineSearch: 9 01:25:01 -118.983543 0.013006 LBFGSLineSearch: 10 01:25:02 -118.983562 0.009202 LBFGSLineSearch: 11 01:25:03 -118.983571 0.007166 LBFGSLineSearch: 12 01:25:04 -118.983595 0.017262 LBFGSLineSearch: 13 01:25:04 -118.983606 0.023093 LBFGSLineSearch: 14 01:25:05 -118.983632 0.007935 LBFGSLineSearch: 15 01:25:05 -118.983641 0.007226 LBFGSLineSearch: 16 01:25:06 -118.983661 0.015812 LBFGSLineSearch: 17 01:25:07 -118.994573 0.264855 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 17 steps. Final forces: [[-9.81748460e-03 1.39611855e-01 -7.86087644e-02] [ 9.81748460e-03 1.39611855e-01 7.86087644e-02] [ 9.81748460e-03 -1.39611855e-01 7.86087644e-02] [-9.81748460e-03 -1.39611855e-01 -7.86087644e-02] [-1.30902888e-17 -1.41676743e-01 7.62567532e-19] [ 3.45610717e-17 1.41676743e-01 -4.79627598e-19] [-6.85078475e-02 -6.00051378e-03 1.29693581e-01] [ 6.85078475e-02 -6.00051378e-03 -1.29693581e-01] [ 6.85078475e-02 6.00051378e-03 -1.29693581e-01] [-6.85078475e-02 6.00051378e-03 1.29693581e-01] [-1.22508649e-01 -2.18233749e-01 7.84796267e-02] [ 1.22508649e-01 -2.18233749e-01 -7.84796267e-02] [ 1.22508649e-01 2.18233749e-01 -7.84796267e-02] [-1.22508649e-01 2.18233749e-01 7.84796267e-02]] Final stress: [ 4.10109075e-01 3.98556029e-01 4.09148198e-01 2.56015186e-17 -3.80644350e-03 -1.44733763e-17] Pressure: -65.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:25:16 -119.460021 0.262285 LBFGSLineSearch: 1 01:25:16 -119.460252 0.147955 LBFGSLineSearch: 2 01:25:17 -119.460680 0.271039 LBFGSLineSearch: 3 01:25:18 -119.461058 0.278857 LBFGSLineSearch: 4 01:25:19 -119.467827 0.342271 LBFGSLineSearch: 5 01:25:19 -119.468395 0.414654 LBFGSLineSearch: 6 01:25:20 -119.477072 0.738847 LBFGSLineSearch: 7 01:25:21 -119.572196 2.761289 LBFGSLineSearch: 8 01:25:21 -119.642387 5.551946 LBFGSLineSearch: 9 01:25:22 -119.751852 7.237770 LBFGSLineSearch: 10 01:25:22 -120.904133 12.300067 LBFGSLineSearch: 11 01:25:23 -121.873752 15.197369 LBFGSLineSearch: 12 01:25:24 -124.598442 14.513169 LBFGSLineSearch: 13 01:25:26 -153.024308 17.092592 LBFGSLineSearch: 14 01:25:27 -153.505779 21.756449 Failed to get energy or crystal structure at pressure -65.0 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') NOTE: The configuration you provided has a maximum force component 0.0007475102671890277 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. NOTE: The configuration you provided has a maximum stress component 1.3223604296869179e-05 eV/angstrom^3 even though the nominal state of the system is unstressed. 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 01:25:38 -62.952762 0.029935 LBFGSLineSearch: 1 01:25:39 -62.952773 0.051956 LBFGSLineSearch: 2 01:25:39 -62.952788 0.079222 LBFGSLineSearch: 3 01:25:40 -62.952825 0.029899 LBFGSLineSearch: 4 01:25:41 -62.952828 0.006508 LBFGSLineSearch: 5 01:25:42 -62.952828 0.006859 LBFGSLineSearch: 6 01:25:43 -62.952832 0.013988 LBFGSLineSearch: 7 01:25:43 -62.952833 0.005319 LBFGSLineSearch: 8 01:25:44 -62.952836 0.006543 LBFGSLineSearch: 9 01:25:45 -62.952837 0.003101 LBFGSLineSearch: 10 01:25:46 -62.952838 0.002026 LBFGSLineSearch: 11 01:25:47 -62.952838 0.002466 LBFGSLineSearch: 12 01:25:47 -62.952838 0.001452 LBFGSLineSearch: 13 01:25:48 -62.952838 0.000406 LBFGSLineSearch: 14 01:25:49 -62.952838 0.000320 LBFGSLineSearch: 15 01:25:49 -62.952838 0.000193 LBFGSLineSearch: 16 01:25:50 -62.952838 0.000160 LBFGSLineSearch: 17 01:25:50 -62.952838 0.000023 LBFGSLineSearch: 18 01:25:51 -62.952838 0.000019 LBFGSLineSearch: 19 01:25:51 -62.952838 0.000036 LBFGSLineSearch: 20 01:25:51 -62.952838 0.000000 Minimization converged after 20 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:00 -62.901610 0.003659 LBFGSLineSearch: 1 01:26:00 -62.901611 0.005841 LBFGSLineSearch: 2 01:26:01 -62.901611 0.010039 LBFGSLineSearch: 3 01:26:02 -62.901611 0.002617 LBFGSLineSearch: 4 01:26:03 -62.901611 0.001117 LBFGSLineSearch: 5 01:26:04 -62.901611 0.000940 LBFGSLineSearch: 6 01:26:04 -62.901611 0.000520 LBFGSLineSearch: 7 01:26:05 -62.901611 0.000927 LBFGSLineSearch: 8 01:26:05 -62.901611 0.000403 LBFGSLineSearch: 9 01:26:06 -62.901611 0.000310 LBFGSLineSearch: 10 01:26:07 -62.901611 0.000254 LBFGSLineSearch: 11 01:26:07 -62.901611 0.000127 LBFGSLineSearch: 12 01:26:08 -62.901611 0.000147 LBFGSLineSearch: 13 01:26:08 -62.901611 0.000074 LBFGSLineSearch: 14 01:26:09 -62.901611 0.000026 LBFGSLineSearch: 15 01:26:09 -62.901611 0.000023 LBFGSLineSearch: 16 01:26:10 -62.901611 0.000010 Minimization converged after 16 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:15 -62.844112 0.004108 LBFGSLineSearch: 1 01:26:16 -62.844113 0.006471 LBFGSLineSearch: 2 01:26:17 -62.844113 0.011322 LBFGSLineSearch: 3 01:26:17 -62.844114 0.003121 LBFGSLineSearch: 4 01:26:18 -62.844114 0.001298 LBFGSLineSearch: 5 01:26:18 -62.844114 0.001011 LBFGSLineSearch: 6 01:26:19 -62.844114 0.000473 LBFGSLineSearch: 7 01:26:19 -62.844114 0.001074 LBFGSLineSearch: 8 01:26:20 -62.844114 0.001135 LBFGSLineSearch: 9 01:26:20 -62.844114 0.000335 LBFGSLineSearch: 10 01:26:20 -62.844114 0.000305 LBFGSLineSearch: 11 01:26:21 -62.844114 0.000240 LBFGSLineSearch: 12 01:26:22 -62.844114 0.000138 LBFGSLineSearch: 13 01:26:22 -62.844114 0.000166 LBFGSLineSearch: 14 01:26:23 -62.844114 0.000065 LBFGSLineSearch: 15 01:26:24 -62.844114 0.000036 LBFGSLineSearch: 16 01:26:24 -62.844114 0.000027 LBFGSLineSearch: 17 01:26:25 -62.844114 0.000069 LBFGSLineSearch: 18 01:26:25 -62.844114 0.000003 Minimization converged after 18 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:32 -62.779577 0.004610 LBFGSLineSearch: 1 01:26:33 -62.779577 0.007374 LBFGSLineSearch: 2 01:26:33 -62.779577 0.012681 LBFGSLineSearch: 3 01:26:34 -62.779578 0.003332 LBFGSLineSearch: 4 01:26:34 -62.779578 0.001401 LBFGSLineSearch: 5 01:26:35 -62.779578 0.001194 LBFGSLineSearch: 6 01:26:36 -62.779578 0.000691 LBFGSLineSearch: 7 01:26:36 -62.779578 0.001117 LBFGSLineSearch: 8 01:26:37 -62.779578 0.000494 LBFGSLineSearch: 9 01:26:37 -62.779579 0.000410 LBFGSLineSearch: 10 01:26:38 -62.779579 0.000428 LBFGSLineSearch: 11 01:26:38 -62.779579 0.000212 LBFGSLineSearch: 12 01:26:38 -62.779579 0.000187 LBFGSLineSearch: 13 01:26:39 -62.779579 0.000065 LBFGSLineSearch: 14 01:26:39 -62.779579 0.000043 LBFGSLineSearch: 15 01:26:40 -62.779579 0.000029 LBFGSLineSearch: 16 01:26:40 -62.779579 0.000014 LBFGSLineSearch: 17 01:26:41 -62.779579 0.000005 Minimization converged after 17 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:47 -62.707142 0.005174 LBFGSLineSearch: 1 01:26:48 -62.707142 0.008266 LBFGSLineSearch: 2 01:26:48 -62.707143 0.014272 LBFGSLineSearch: 3 01:26:49 -62.707144 0.003713 LBFGSLineSearch: 4 01:26:50 -62.707144 0.001582 LBFGSLineSearch: 5 01:26:50 -62.707144 0.001337 LBFGSLineSearch: 6 01:26:51 -62.707144 0.000713 LBFGSLineSearch: 7 01:26:52 -62.707144 0.001391 LBFGSLineSearch: 8 01:26:52 -62.707144 0.000647 LBFGSLineSearch: 9 01:26:53 -62.707144 0.000429 LBFGSLineSearch: 10 01:26:54 -62.707144 0.000305 LBFGSLineSearch: 11 01:26:54 -62.707144 0.000194 LBFGSLineSearch: 12 01:26:55 -62.707144 0.000113 LBFGSLineSearch: 13 01:26:57 -62.707144 0.000089 LBFGSLineSearch: 14 01:26:57 -62.707144 0.000034 LBFGSLineSearch: 15 01:26:58 -62.707144 0.000059 LBFGSLineSearch: 16 01:26:58 -62.707144 0.000007 Minimization converged after 16 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:05 -62.625842 0.005808 LBFGSLineSearch: 1 01:27:06 -62.625843 0.009315 LBFGSLineSearch: 2 01:27:07 -62.625844 0.016034 LBFGSLineSearch: 3 01:27:08 -62.625845 0.004251 LBFGSLineSearch: 4 01:27:08 -62.625845 0.001750 LBFGSLineSearch: 5 01:27:09 -62.625845 0.001521 LBFGSLineSearch: 6 01:27:10 -62.625845 0.000931 LBFGSLineSearch: 7 01:27:10 -62.625845 0.001327 LBFGSLineSearch: 8 01:27:10 -62.625845 0.000643 LBFGSLineSearch: 9 01:27:11 -62.625845 0.000520 LBFGSLineSearch: 10 01:27:11 -62.625845 0.000444 LBFGSLineSearch: 11 01:27:12 -62.625845 0.000359 LBFGSLineSearch: 12 01:27:13 -62.625845 0.000218 LBFGSLineSearch: 13 01:27:14 -62.625845 0.000389 LBFGSLineSearch: 14 01:27:15 -62.625845 0.000095 LBFGSLineSearch: 15 01:27:16 -62.625845 0.000051 LBFGSLineSearch: 16 01:27:17 -62.625845 0.000034 LBFGSLineSearch: 17 01:27:18 -62.625845 0.000036 LBFGSLineSearch: 18 01:27:19 -62.625845 0.000018 LBFGSLineSearch: 19 01:27:20 -62.625845 0.000003 Minimization converged after 19 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:29 -62.534593 0.006519 LBFGSLineSearch: 1 01:27:31 -62.534594 0.010471 LBFGSLineSearch: 2 01:27:33 -62.534595 0.018025 LBFGSLineSearch: 3 01:27:37 -62.534596 0.004806 LBFGSLineSearch: 4 01:27:40 -62.534596 0.001954 LBFGSLineSearch: 5 01:27:44 -62.534596 0.001720 LBFGSLineSearch: 6 01:27:46 -62.534597 0.001075 LBFGSLineSearch: 7 01:27:50 -62.534597 0.001460 LBFGSLineSearch: 8 01:27:51 -62.534597 0.000732 LBFGSLineSearch: 9 01:27:53 -62.534597 0.000594 LBFGSLineSearch: 10 01:27:55 -62.534597 0.000504 LBFGSLineSearch: 11 01:27:58 -62.534597 0.000399 LBFGSLineSearch: 12 01:28:01 -62.534597 0.000294 LBFGSLineSearch: 13 01:28:02 -62.534597 0.000306 LBFGSLineSearch: 14 01:28:02 -62.534597 0.000164 LBFGSLineSearch: 15 01:28:03 -62.534597 0.000114 LBFGSLineSearch: 16 01:28:05 -62.534597 0.000040 LBFGSLineSearch: 17 01:28:07 -62.534597 0.000040 LBFGSLineSearch: 18 01:28:08 -62.534597 0.000035 LBFGSLineSearch: 19 01:28:09 -62.534597 0.000005 Minimization converged after 19 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:16 -62.432178 0.007316 LBFGSLineSearch: 1 01:28:18 -62.432179 0.011739 LBFGSLineSearch: 2 01:28:18 -62.432180 0.020305 LBFGSLineSearch: 3 01:28:19 -62.432182 0.005347 LBFGSLineSearch: 4 01:28:20 -62.432182 0.002206 LBFGSLineSearch: 5 01:28:21 -62.432182 0.001919 LBFGSLineSearch: 6 01:28:22 -62.432183 0.001103 LBFGSLineSearch: 7 01:28:22 -62.432183 0.001810 LBFGSLineSearch: 8 01:28:23 -62.432183 0.000781 LBFGSLineSearch: 9 01:28:24 -62.432183 0.000659 LBFGSLineSearch: 10 01:28:24 -62.432183 0.000545 LBFGSLineSearch: 11 01:28:25 -62.432183 0.000450 LBFGSLineSearch: 12 01:28:25 -62.432183 0.000237 LBFGSLineSearch: 13 01:28:26 -62.432183 0.000311 LBFGSLineSearch: 14 01:28:27 -62.432183 0.000266 LBFGSLineSearch: 15 01:28:28 -62.432183 0.000085 LBFGSLineSearch: 16 01:28:28 -62.432183 0.000050 LBFGSLineSearch: 17 01:28:29 -62.432183 0.000042 LBFGSLineSearch: 18 01:28:30 -62.432183 0.000047 LBFGSLineSearch: 19 01:28:31 -62.432183 0.000006 Minimization converged after 19 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:38 -62.317232 0.008212 LBFGSLineSearch: 1 01:28:39 -62.317233 0.013192 LBFGSLineSearch: 2 01:28:39 -62.317234 0.022849 LBFGSLineSearch: 3 01:28:40 -62.317237 0.006039 LBFGSLineSearch: 4 01:28:41 -62.317237 0.002466 LBFGSLineSearch: 5 01:28:41 -62.317237 0.002162 LBFGSLineSearch: 6 01:28:42 -62.317238 0.001246 LBFGSLineSearch: 7 01:28:42 -62.317238 0.002042 LBFGSLineSearch: 8 01:28:43 -62.317238 0.000875 LBFGSLineSearch: 9 01:28:44 -62.317238 0.000745 LBFGSLineSearch: 10 01:28:44 -62.317238 0.000586 LBFGSLineSearch: 11 01:28:44 -62.317238 0.000513 LBFGSLineSearch: 12 01:28:45 -62.317238 0.000301 LBFGSLineSearch: 13 01:28:46 -62.317238 0.000302 LBFGSLineSearch: 14 01:28:46 -62.317238 0.000323 LBFGSLineSearch: 15 01:28:47 -62.317238 0.000148 LBFGSLineSearch: 16 01:28:47 -62.317238 0.000064 LBFGSLineSearch: 17 01:28:48 -62.317238 0.000048 LBFGSLineSearch: 18 01:28:48 -62.317238 0.000051 LBFGSLineSearch: 19 01:28:49 -62.317238 0.000018 LBFGSLineSearch: 20 01:28:49 -62.317238 0.000004 Minimization converged after 20 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:57 -62.188223 0.009216 LBFGSLineSearch: 1 01:28:57 -62.188224 0.014864 LBFGSLineSearch: 2 01:28:58 -62.188226 0.025718 LBFGSLineSearch: 3 01:28:59 -62.188229 0.006897 LBFGSLineSearch: 4 01:29:00 -62.188229 0.002730 LBFGSLineSearch: 5 01:29:02 -62.188229 0.002451 LBFGSLineSearch: 6 01:29:02 -62.188230 0.001575 LBFGSLineSearch: 7 01:29:03 -62.188230 0.002024 LBFGSLineSearch: 8 01:29:03 -62.188230 0.001054 LBFGSLineSearch: 9 01:29:04 -62.188230 0.000867 LBFGSLineSearch: 10 01:29:04 -62.188230 0.000726 LBFGSLineSearch: 11 01:29:05 -62.188230 0.000618 LBFGSLineSearch: 12 01:29:06 -62.188230 0.000313 LBFGSLineSearch: 13 01:29:06 -62.188230 0.000376 LBFGSLineSearch: 14 01:29:07 -62.188230 0.000308 LBFGSLineSearch: 15 01:29:07 -62.188230 0.000080 LBFGSLineSearch: 16 01:29:08 -62.188230 0.000057 LBFGSLineSearch: 17 01:29:08 -62.188230 0.000075 LBFGSLineSearch: 18 01:29:08 -62.188230 0.000006 Minimization converged after 18 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:15 -62.043433 0.010343 LBFGSLineSearch: 1 01:29:15 -62.043434 0.016743 LBFGSLineSearch: 2 01:29:16 -62.043436 0.028930 LBFGSLineSearch: 3 01:29:17 -62.043440 0.007853 LBFGSLineSearch: 4 01:29:17 -62.043440 0.003023 LBFGSLineSearch: 5 01:29:18 -62.043440 0.002776 LBFGSLineSearch: 6 01:29:19 -62.043441 0.001930 LBFGSLineSearch: 7 01:29:19 -62.043441 0.002088 LBFGSLineSearch: 8 01:29:20 -62.043441 0.001499 LBFGSLineSearch: 9 01:29:21 -62.043442 0.000859 LBFGSLineSearch: 10 01:29:21 -62.043442 0.000419 LBFGSLineSearch: 11 01:29:21 -62.043442 0.000427 LBFGSLineSearch: 12 01:29:22 -62.043442 0.000395 LBFGSLineSearch: 13 01:29:22 -62.043442 0.000085 LBFGSLineSearch: 14 01:29:23 -62.043442 0.000058 LBFGSLineSearch: 15 01:29:23 -62.043442 0.000059 LBFGSLineSearch: 16 01:29:23 -62.043442 0.000012 LBFGSLineSearch: 17 01:29:24 -62.043442 0.000007 Minimization converged after 17 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:31 -61.880932 0.011613 LBFGSLineSearch: 1 01:29:31 -61.880934 0.018866 LBFGSLineSearch: 2 01:29:33 -61.880937 0.032560 LBFGSLineSearch: 3 01:29:33 -61.880942 0.008922 LBFGSLineSearch: 4 01:29:34 -61.880942 0.003366 LBFGSLineSearch: 5 01:29:35 -61.880942 0.003130 LBFGSLineSearch: 6 01:29:35 -61.880943 0.002234 LBFGSLineSearch: 7 01:29:36 -61.880943 0.002284 LBFGSLineSearch: 8 01:29:37 -61.880943 0.001701 LBFGSLineSearch: 9 01:29:38 -61.880944 0.000988 LBFGSLineSearch: 10 01:29:38 -61.880944 0.000473 LBFGSLineSearch: 11 01:29:39 -61.880944 0.000478 LBFGSLineSearch: 12 01:29:40 -61.880944 0.000346 LBFGSLineSearch: 13 01:29:43 -61.880944 0.000188 LBFGSLineSearch: 14 01:29:43 -61.880944 0.000071 LBFGSLineSearch: 15 01:29:44 -61.880944 0.000054 LBFGSLineSearch: 16 01:29:44 -61.880944 0.000014 LBFGSLineSearch: 17 01:29:45 -61.880944 0.000005 Minimization converged after 17 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:52 -61.698559 0.013029 LBFGSLineSearch: 1 01:29:53 -61.698562 0.021208 LBFGSLineSearch: 2 01:29:54 -61.698565 0.036756 LBFGSLineSearch: 3 01:29:54 -61.698572 0.010055 LBFGSLineSearch: 4 01:29:55 -61.698572 0.003715 LBFGSLineSearch: 5 01:29:55 -61.698572 0.003558 LBFGSLineSearch: 6 01:29:56 -61.698573 0.002663 LBFGSLineSearch: 7 01:29:56 -61.698573 0.002461 LBFGSLineSearch: 8 01:29:57 -61.698573 0.001963 LBFGSLineSearch: 9 01:29:57 -61.698574 0.001316 LBFGSLineSearch: 10 01:29:58 -61.698574 0.001019 LBFGSLineSearch: 11 01:29:59 -61.698574 0.000982 LBFGSLineSearch: 12 01:29:59 -61.698574 0.000434 LBFGSLineSearch: 13 01:30:00 -61.698574 0.000444 LBFGSLineSearch: 14 01:30:01 -61.698574 0.000486 LBFGSLineSearch: 15 01:30:01 -61.698574 0.000150 LBFGSLineSearch: 16 01:30:02 -61.698574 0.000076 LBFGSLineSearch: 17 01:30:02 -61.698574 0.000079 LBFGSLineSearch: 18 01:30:03 -61.698574 0.000020 LBFGSLineSearch: 19 01:30:05 -61.698574 0.000006 Minimization converged after 19 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:13 -61.493887 0.014621 LBFGSLineSearch: 1 01:30:13 -61.493890 0.023878 LBFGSLineSearch: 2 01:30:14 -61.493894 0.041443 LBFGSLineSearch: 3 01:30:15 -61.493902 0.011373 LBFGSLineSearch: 4 01:30:15 -61.493903 0.004112 LBFGSLineSearch: 5 01:30:16 -61.493903 0.004032 LBFGSLineSearch: 6 01:30:16 -61.493904 0.003140 LBFGSLineSearch: 7 01:30:16 -61.493904 0.002670 LBFGSLineSearch: 8 01:30:17 -61.493905 0.002227 LBFGSLineSearch: 9 01:30:17 -61.493905 0.001502 LBFGSLineSearch: 10 01:30:17 -61.493905 0.001205 LBFGSLineSearch: 11 01:30:18 -61.493905 0.001155 LBFGSLineSearch: 12 01:30:18 -61.493905 0.000543 LBFGSLineSearch: 13 01:30:19 -61.493905 0.000487 LBFGSLineSearch: 14 01:30:20 -61.493905 0.000502 LBFGSLineSearch: 15 01:30:21 -61.493905 0.000118 LBFGSLineSearch: 16 01:30:21 -61.493905 0.000101 LBFGSLineSearch: 17 01:30:22 -61.493905 0.000080 LBFGSLineSearch: 18 01:30:23 -61.493905 0.000024 LBFGSLineSearch: 19 01:30:23 -61.493905 0.000006 Minimization converged after 19 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:31 -61.264193 0.016409 LBFGSLineSearch: 1 01:30:33 -61.264197 0.026898 LBFGSLineSearch: 2 01:30:33 -61.264202 0.046554 LBFGSLineSearch: 3 01:30:34 -61.264213 0.012834 LBFGSLineSearch: 4 01:30:35 -61.264213 0.004500 LBFGSLineSearch: 5 01:30:36 -61.264213 0.004615 LBFGSLineSearch: 6 01:30:36 -61.264214 0.003757 LBFGSLineSearch: 7 01:30:37 -61.264215 0.002994 LBFGSLineSearch: 8 01:30:37 -61.264216 0.002722 LBFGSLineSearch: 9 01:30:38 -61.264216 0.001706 LBFGSLineSearch: 10 01:30:39 -61.264216 0.001467 LBFGSLineSearch: 11 01:30:39 -61.264216 0.001406 LBFGSLineSearch: 12 01:30:40 -61.264216 0.000820 LBFGSLineSearch: 13 01:30:41 -61.264216 0.000694 LBFGSLineSearch: 14 01:30:42 -61.264216 0.000366 LBFGSLineSearch: 15 01:30:42 -61.264216 0.000117 LBFGSLineSearch: 16 01:30:42 -61.264216 0.000116 LBFGSLineSearch: 17 01:30:42 -61.264216 0.000083 LBFGSLineSearch: 18 01:30:42 -61.264216 0.000033 LBFGSLineSearch: 19 01:30:43 -61.264216 0.000006 Minimization converged after 19 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:50 -61.006425 0.018414 LBFGSLineSearch: 1 01:30:51 -61.006430 0.030310 LBFGSLineSearch: 2 01:30:51 -61.006437 0.052642 LBFGSLineSearch: 3 01:30:51 -61.006450 0.014499 LBFGSLineSearch: 4 01:30:52 -61.006451 0.004971 LBFGSLineSearch: 5 01:30:52 -61.006451 0.005223 LBFGSLineSearch: 6 01:30:53 -61.006452 0.004448 LBFGSLineSearch: 7 01:30:54 -61.006452 0.003238 LBFGSLineSearch: 8 01:30:55 -61.006454 0.003429 LBFGSLineSearch: 9 01:30:55 -61.006454 0.001915 LBFGSLineSearch: 10 01:30:55 -61.006454 0.001848 LBFGSLineSearch: 11 01:30:56 -61.006455 0.001685 LBFGSLineSearch: 12 01:30:56 -61.006455 0.000907 LBFGSLineSearch: 13 01:30:57 -61.006455 0.000727 LBFGSLineSearch: 14 01:30:58 -61.006455 0.000369 LBFGSLineSearch: 15 01:30:59 -61.006455 0.000143 LBFGSLineSearch: 16 01:30:59 -61.006455 0.000143 LBFGSLineSearch: 17 01:31:00 -61.006455 0.000095 LBFGSLineSearch: 18 01:31:00 -61.006455 0.000041 LBFGSLineSearch: 19 01:31:01 -61.006455 0.000014 LBFGSLineSearch: 20 01:31:02 -61.006455 0.000005 Minimization converged after 20 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:09 -60.717160 0.020664 LBFGSLineSearch: 1 01:31:09 -60.717166 0.034172 LBFGSLineSearch: 2 01:31:10 -60.717174 0.059794 LBFGSLineSearch: 3 01:31:11 -60.717191 0.016372 LBFGSLineSearch: 4 01:31:12 -60.717192 0.005519 LBFGSLineSearch: 5 01:31:13 -60.717192 0.005873 LBFGSLineSearch: 6 01:31:13 -60.717194 0.005229 LBFGSLineSearch: 7 01:31:14 -60.717194 0.003314 LBFGSLineSearch: 8 01:31:15 -60.717196 0.004321 LBFGSLineSearch: 9 01:31:15 -60.717196 0.003129 LBFGSLineSearch: 10 01:31:16 -60.717197 0.001066 LBFGSLineSearch: 11 01:31:16 -60.717197 0.000516 LBFGSLineSearch: 12 01:31:17 -60.717197 0.000412 LBFGSLineSearch: 13 01:31:17 -60.717197 0.000116 LBFGSLineSearch: 14 01:31:18 -60.717197 0.000113 LBFGSLineSearch: 15 01:31:19 -60.717197 0.000058 LBFGSLineSearch: 16 01:31:20 -60.717197 0.000021 LBFGSLineSearch: 17 01:31:23 -60.717197 0.000011 LBFGSLineSearch: 18 01:31:23 -60.717197 0.000004 Minimization converged after 18 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:31 -60.392558 0.023190 LBFGSLineSearch: 1 01:31:31 -60.392564 0.038546 LBFGSLineSearch: 2 01:31:32 -60.392576 0.067129 LBFGSLineSearch: 3 01:31:34 -60.392597 0.018016 LBFGSLineSearch: 4 01:31:35 -60.392597 0.005802 LBFGSLineSearch: 5 01:31:36 -60.392598 0.007026 LBFGSLineSearch: 6 01:31:36 -60.392600 0.006945 LBFGSLineSearch: 7 01:31:38 -60.392600 0.004258 LBFGSLineSearch: 8 01:31:39 -60.392602 0.005348 LBFGSLineSearch: 9 01:31:39 -60.392603 0.003055 LBFGSLineSearch: 10 01:31:40 -60.392604 0.001830 LBFGSLineSearch: 11 01:31:40 -60.392604 0.001614 LBFGSLineSearch: 12 01:31:41 -60.392604 0.001192 LBFGSLineSearch: 13 01:31:42 -60.392604 0.000301 LBFGSLineSearch: 14 01:31:42 -60.392604 0.000238 LBFGSLineSearch: 15 01:31:44 -60.392604 0.000135 LBFGSLineSearch: 16 01:31:45 -60.392604 0.000132 LBFGSLineSearch: 17 01:31:46 -60.392604 0.000113 LBFGSLineSearch: 18 01:31:47 -60.392604 0.000008 Minimization converged after 18 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:56 -60.028313 0.026024 LBFGSLineSearch: 1 01:31:58 -60.028322 0.043471 LBFGSLineSearch: 2 01:31:58 -60.028336 0.075128 LBFGSLineSearch: 3 01:31:59 -60.028363 0.019158 LBFGSLineSearch: 4 01:32:00 -60.028364 0.006087 LBFGSLineSearch: 5 01:32:01 -60.028364 0.007717 LBFGSLineSearch: 6 01:32:01 -60.028367 0.008632 LBFGSLineSearch: 7 01:32:02 -60.028367 0.004797 LBFGSLineSearch: 8 01:32:03 -60.028370 0.006292 LBFGSLineSearch: 9 01:32:04 -60.028371 0.002480 LBFGSLineSearch: 10 01:32:04 -60.028372 0.001232 LBFGSLineSearch: 11 01:32:05 -60.028372 0.003908 LBFGSLineSearch: 12 01:32:05 -60.028372 0.001262 LBFGSLineSearch: 13 01:32:06 -60.028372 0.000614 LBFGSLineSearch: 14 01:32:07 -60.028372 0.000858 LBFGSLineSearch: 15 01:32:08 -60.028372 0.000175 LBFGSLineSearch: 16 01:32:08 -60.028372 0.000345 LBFGSLineSearch: 17 01:32:09 -60.028372 0.000011 LBFGSLineSearch: 18 01:32:09 -60.028372 0.000004 Minimization converged after 18 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:18 -59.619601 0.029198 LBFGSLineSearch: 1 01:32:18 -59.619613 0.049086 LBFGSLineSearch: 2 01:32:18 -59.619630 0.081904 LBFGSLineSearch: 3 01:32:19 -59.619664 0.024505 LBFGSLineSearch: 4 01:32:19 -59.619665 0.006858 LBFGSLineSearch: 5 01:32:19 -59.619665 0.006317 LBFGSLineSearch: 6 01:32:20 -59.619669 0.004881 LBFGSLineSearch: 7 01:32:20 -59.619669 0.008404 LBFGSLineSearch: 8 01:32:21 -59.619672 0.005085 LBFGSLineSearch: 9 01:32:21 -59.619674 0.002788 LBFGSLineSearch: 10 01:32:22 -59.619675 0.001867 LBFGSLineSearch: 11 01:32:22 -59.619675 0.001188 LBFGSLineSearch: 12 01:32:23 -59.619676 0.000514 LBFGSLineSearch: 13 01:32:24 -59.619676 0.000421 LBFGSLineSearch: 14 01:32:25 -59.619676 0.000185 LBFGSLineSearch: 15 01:32:25 -59.619676 0.000160 LBFGSLineSearch: 16 01:32:25 -59.619676 0.000102 LBFGSLineSearch: 17 01:32:27 -59.619676 0.000032 LBFGSLineSearch: 18 01:32:29 -59.619676 0.000007 Minimization converged after 18 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:36 -59.161013 0.032765 LBFGSLineSearch: 1 01:32:37 -59.161027 0.055446 LBFGSLineSearch: 2 01:32:37 -59.161047 0.087737 LBFGSLineSearch: 3 01:32:38 -59.161091 0.031155 LBFGSLineSearch: 4 01:32:39 -59.161093 0.008474 LBFGSLineSearch: 5 01:32:39 -59.161093 0.006674 LBFGSLineSearch: 6 01:32:40 -59.161097 0.007480 LBFGSLineSearch: 7 01:32:41 -59.161098 0.009538 LBFGSLineSearch: 8 01:32:43 -59.161101 0.003524 LBFGSLineSearch: 9 01:32:45 -59.161104 0.005669 LBFGSLineSearch: 10 01:32:46 -59.161105 0.002152 LBFGSLineSearch: 11 01:32:46 -59.161106 0.001403 LBFGSLineSearch: 12 01:32:47 -59.161106 0.000748 LBFGSLineSearch: 13 01:32:47 -59.161107 0.000489 LBFGSLineSearch: 14 01:32:47 -59.161107 0.000220 LBFGSLineSearch: 15 01:32:47 -59.161107 0.000174 LBFGSLineSearch: 16 01:32:48 -59.161107 0.000215 LBFGSLineSearch: 17 01:32:49 -59.161107 0.000094 LBFGSLineSearch: 18 01:32:49 -59.161107 0.000034 LBFGSLineSearch: 19 01:32:50 -59.161107 0.000021 LBFGSLineSearch: 20 01:32:51 -59.161107 0.000013 LBFGSLineSearch: 21 01:32:52 -59.161107 0.000015 LBFGSLineSearch: 22 01:32:52 -59.161107 0.000011 LBFGSLineSearch: 23 01:32:53 -59.161107 0.000000 Minimization converged after 23 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:01 -58.646486 0.036759 LBFGSLineSearch: 1 01:33:01 -58.646504 0.062726 LBFGSLineSearch: 2 01:33:02 -58.646527 0.094460 LBFGSLineSearch: 3 01:33:03 -58.646585 0.035384 LBFGSLineSearch: 4 01:33:04 -58.646587 0.008868 LBFGSLineSearch: 5 01:33:04 -58.646588 0.008531 LBFGSLineSearch: 6 01:33:04 -58.646593 0.011632 LBFGSLineSearch: 7 01:33:05 -58.646595 0.007720 LBFGSLineSearch: 8 01:33:05 -58.646599 0.009708 LBFGSLineSearch: 9 01:33:07 -58.646603 0.003234 LBFGSLineSearch: 10 01:33:07 -58.646604 0.002063 LBFGSLineSearch: 11 01:33:09 -58.646605 0.004592 LBFGSLineSearch: 12 01:33:09 -58.646605 0.000720 LBFGSLineSearch: 13 01:33:11 -58.646605 0.001298 LBFGSLineSearch: 14 01:33:11 -58.646605 0.000194 LBFGSLineSearch: 15 01:33:12 -58.646605 0.000590 LBFGSLineSearch: 16 01:33:14 -58.646605 0.000025 LBFGSLineSearch: 17 01:33:14 -58.646605 0.000035 LBFGSLineSearch: 18 01:33:15 -58.646605 0.000261 LBFGSLineSearch: 19 01:33:16 -58.646605 0.000001 Minimization converged after 19 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:24 -58.069230 0.041241 LBFGSLineSearch: 1 01:33:25 -58.069253 0.071012 LBFGSLineSearch: 2 01:33:25 -58.069281 0.107286 LBFGSLineSearch: 3 01:33:26 -58.069356 0.038016 LBFGSLineSearch: 4 01:33:26 -58.069358 0.008842 LBFGSLineSearch: 5 01:33:27 -58.069359 0.010730 LBFGSLineSearch: 6 01:33:27 -58.069366 0.012347 LBFGSLineSearch: 7 01:33:28 -58.069368 0.007689 LBFGSLineSearch: 8 01:33:30 -58.069374 0.010995 LBFGSLineSearch: 9 01:33:31 -58.069378 0.003543 LBFGSLineSearch: 10 01:33:33 -58.069380 0.002171 LBFGSLineSearch: 11 01:33:34 -58.069381 0.004608 LBFGSLineSearch: 12 01:33:34 -58.069381 0.001645 LBFGSLineSearch: 13 01:33:35 -58.069381 0.000800 LBFGSLineSearch: 14 01:33:35 -58.069381 0.001142 LBFGSLineSearch: 15 01:33:36 -58.069381 0.000326 LBFGSLineSearch: 16 01:33:36 -58.069381 0.000777 LBFGSLineSearch: 17 01:33:36 -58.069381 0.000346 LBFGSLineSearch: 18 01:33:37 -58.069381 0.000263 LBFGSLineSearch: 19 01:33:38 -58.069381 0.000048 LBFGSLineSearch: 20 01:33:38 -58.069381 0.000054 LBFGSLineSearch: 21 01:33:39 -58.069381 0.000020 LBFGSLineSearch: 22 01:33:40 -58.069381 0.000000 Minimization converged after 22 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:47 -57.421639 0.046267 LBFGSLineSearch: 1 01:33:47 -57.421667 0.080483 LBFGSLineSearch: 2 01:33:48 -57.421704 0.125266 LBFGSLineSearch: 3 01:33:49 -57.421799 0.039317 LBFGSLineSearch: 4 01:33:51 -57.421801 0.008410 LBFGSLineSearch: 5 01:33:51 -57.421802 0.014104 LBFGSLineSearch: 6 01:33:51 -57.421813 0.012563 LBFGSLineSearch: 7 01:33:51 -57.421814 0.010932 LBFGSLineSearch: 8 01:33:52 -57.421823 0.011227 LBFGSLineSearch: 9 01:33:52 -57.421826 0.006663 LBFGSLineSearch: 10 01:33:53 -57.421829 0.002490 LBFGSLineSearch: 11 01:33:53 -57.421830 0.002829 LBFGSLineSearch: 12 01:33:53 -57.421830 0.001248 LBFGSLineSearch: 13 01:33:54 -57.421830 0.001674 LBFGSLineSearch: 14 01:33:54 -57.421831 0.000744 LBFGSLineSearch: 15 01:33:55 -57.421831 0.000319 LBFGSLineSearch: 16 01:33:55 -57.421831 0.000993 LBFGSLineSearch: 17 01:33:56 -57.421831 0.000073 LBFGSLineSearch: 18 01:33:57 -57.421831 0.000206 LBFGSLineSearch: 19 01:33:58 -57.421831 0.000104 LBFGSLineSearch: 20 01:33:59 -57.421831 0.000015 LBFGSLineSearch: 21 01:33:59 -57.421831 0.000006 Minimization converged after 21 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:07 -56.695196 0.051902 LBFGSLineSearch: 1 01:34:07 -56.695230 0.091345 LBFGSLineSearch: 2 01:34:08 -56.695277 0.147071 LBFGSLineSearch: 3 01:34:08 -56.695398 0.040077 LBFGSLineSearch: 4 01:34:09 -56.695401 0.009521 LBFGSLineSearch: 5 01:34:10 -56.695404 0.028409 LBFGSLineSearch: 6 01:34:10 -56.695416 0.012665 LBFGSLineSearch: 7 01:34:10 -56.695417 0.015892 LBFGSLineSearch: 8 01:34:11 -56.695429 0.019589 LBFGSLineSearch: 9 01:34:12 -56.695432 0.005589 LBFGSLineSearch: 10 01:34:12 -56.695435 0.014278 LBFGSLineSearch: 11 01:34:14 -56.695437 0.003500 LBFGSLineSearch: 12 01:34:14 -56.695439 0.001484 LBFGSLineSearch: 13 01:34:14 -56.695439 0.000777 LBFGSLineSearch: 14 01:34:16 -56.695439 0.000881 LBFGSLineSearch: 15 01:34:17 -56.695439 0.000395 LBFGSLineSearch: 16 01:34:17 -56.695439 0.000416 LBFGSLineSearch: 17 01:34:19 -56.695439 0.000719 LBFGSLineSearch: 18 01:34:20 -56.695439 0.000221 LBFGSLineSearch: 19 01:34:20 -56.695439 0.000103 LBFGSLineSearch: 20 01:34:21 -56.695439 0.000086 LBFGSLineSearch: 21 01:34:21 -56.695439 0.000021 LBFGSLineSearch: 22 01:34:22 -56.695439 0.000005 Minimization converged after 22 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:29 -55.880368 0.058221 LBFGSLineSearch: 1 01:34:29 -55.880410 0.103656 LBFGSLineSearch: 2 01:34:30 -55.880471 0.172629 LBFGSLineSearch: 3 01:34:31 -55.880624 0.035768 LBFGSLineSearch: 4 01:34:31 -55.880627 0.013360 LBFGSLineSearch: 5 01:34:32 -55.880629 0.015701 LBFGSLineSearch: 6 01:34:32 -55.880646 0.016671 LBFGSLineSearch: 7 01:34:33 -55.880648 0.010265 LBFGSLineSearch: 8 01:34:33 -55.880662 0.012364 LBFGSLineSearch: 9 01:34:34 -55.880669 0.006398 LBFGSLineSearch: 10 01:34:35 -55.880675 0.003426 LBFGSLineSearch: 11 01:34:36 -55.880677 0.007112 LBFGSLineSearch: 12 01:34:36 -55.880678 0.003327 LBFGSLineSearch: 13 01:34:37 -55.880678 0.001135 LBFGSLineSearch: 14 01:34:38 -55.880678 0.001679 LBFGSLineSearch: 15 01:34:38 -55.880678 0.000723 LBFGSLineSearch: 16 01:34:39 -55.880678 0.000582 LBFGSLineSearch: 17 01:34:39 -55.880678 0.002533 LBFGSLineSearch: 18 01:34:39 -55.880679 0.001049 LBFGSLineSearch: 19 01:34:40 -55.880679 0.000145 LBFGSLineSearch: 20 01:34:40 -55.880679 0.000239 LBFGSLineSearch: 21 01:34:41 -55.880679 0.000086 LBFGSLineSearch: 22 01:34:41 -55.880679 0.000116 LBFGSLineSearch: 23 01:34:42 -55.880679 0.000049 LBFGSLineSearch: 24 01:34:42 -55.880679 0.000023 LBFGSLineSearch: 25 01:34:43 -55.880679 0.000003 Minimization converged after 25 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:51 -54.966492 0.065300 LBFGSLineSearch: 1 01:34:52 -54.966544 0.117799 LBFGSLineSearch: 2 01:34:55 -54.966623 0.199460 LBFGSLineSearch: 3 01:34:58 -54.966818 0.042032 LBFGSLineSearch: 4 01:34:59 -54.966821 0.016849 LBFGSLineSearch: 5 01:35:00 -54.966823 0.014439 LBFGSLineSearch: 6 01:35:01 -54.966842 0.016974 LBFGSLineSearch: 7 01:35:01 -54.966845 0.017939 LBFGSLineSearch: 8 01:35:02 -54.966860 0.009568 LBFGSLineSearch: 9 01:35:05 -54.966874 0.009742 LBFGSLineSearch: 10 01:35:08 -54.966881 0.006804 LBFGSLineSearch: 11 01:35:09 -54.966886 0.003502 LBFGSLineSearch: 12 01:35:09 -54.966889 0.002194 LBFGSLineSearch: 13 01:35:09 -54.966890 0.001212 LBFGSLineSearch: 14 01:35:09 -54.966890 0.000828 LBFGSLineSearch: 15 01:35:10 -54.966890 0.000872 LBFGSLineSearch: 16 01:35:10 -54.966891 0.000334 LBFGSLineSearch: 17 01:35:10 -54.966891 0.000187 LBFGSLineSearch: 18 01:35:11 -54.966891 0.000180 LBFGSLineSearch: 19 01:35:11 -54.966891 0.000161 LBFGSLineSearch: 20 01:35:12 -54.966891 0.000376 LBFGSLineSearch: 21 01:35:12 -54.966891 0.000058 LBFGSLineSearch: 22 01:35:12 -54.966891 0.000001 Minimization converged after 22 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:19 -53.941650 0.073232 LBFGSLineSearch: 1 01:35:19 -53.941729 0.089797 LBFGSLineSearch: 2 01:35:21 -53.941826 0.224440 LBFGSLineSearch: 3 01:35:23 -53.942063 0.048201 LBFGSLineSearch: 4 01:35:24 -53.942067 0.018682 LBFGSLineSearch: 5 01:35:25 -53.942069 0.014760 LBFGSLineSearch: 6 01:35:25 -53.942094 0.018852 LBFGSLineSearch: 7 01:35:26 -53.942098 0.021731 LBFGSLineSearch: 8 01:35:26 -53.942119 0.013583 LBFGSLineSearch: 9 01:35:27 -53.942138 0.011686 LBFGSLineSearch: 10 01:35:28 -53.942148 0.007992 LBFGSLineSearch: 11 01:35:28 -53.942155 0.004319 LBFGSLineSearch: 12 01:35:29 -53.942160 0.003257 LBFGSLineSearch: 13 01:35:29 -53.942161 0.001505 LBFGSLineSearch: 14 01:35:30 -53.942161 0.001396 LBFGSLineSearch: 15 01:35:31 -53.942162 0.001249 LBFGSLineSearch: 16 01:35:32 -53.942164 0.001844 LBFGSLineSearch: 17 01:35:32 -53.942164 0.000528 LBFGSLineSearch: 18 01:35:33 -53.942164 0.000309 LBFGSLineSearch: 19 01:35:33 -53.942164 0.000051 LBFGSLineSearch: 20 01:35:34 -53.942164 0.000043 LBFGSLineSearch: 21 01:35:34 -53.942164 0.000000 Minimization converged after 21 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:42 -52.792529 0.082117 LBFGSLineSearch: 1 01:35:43 -52.792626 0.099518 LBFGSLineSearch: 2 01:35:44 -52.792759 0.262096 LBFGSLineSearch: 3 01:35:44 -52.793054 0.056963 LBFGSLineSearch: 4 01:35:45 -52.793061 0.023890 LBFGSLineSearch: 5 01:35:45 -52.793064 0.015109 LBFGSLineSearch: 6 01:35:46 -52.793106 0.040279 LBFGSLineSearch: 7 01:35:47 -52.793109 0.030318 LBFGSLineSearch: 8 01:35:48 -52.793149 0.036848 LBFGSLineSearch: 9 01:35:48 -52.793167 0.030965 LBFGSLineSearch: 10 01:35:49 -52.793182 0.007308 LBFGSLineSearch: 11 01:35:50 -52.793190 0.010106 LBFGSLineSearch: 12 01:35:50 -52.793193 0.004999 LBFGSLineSearch: 13 01:35:51 -52.793194 0.002293 LBFGSLineSearch: 14 01:35:51 -52.793195 0.002241 LBFGSLineSearch: 15 01:35:52 -52.793196 0.001764 LBFGSLineSearch: 16 01:35:53 -52.793196 0.002174 LBFGSLineSearch: 17 01:35:54 -52.793199 0.006624 LBFGSLineSearch: 18 01:35:55 -52.793201 0.002899 LBFGSLineSearch: 19 01:35:55 -52.793201 0.000168 LBFGSLineSearch: 20 01:35:56 -52.793201 0.000241 LBFGSLineSearch: 21 01:35:57 -52.793201 0.000191 LBFGSLineSearch: 22 01:35:58 -52.793201 0.000233 LBFGSLineSearch: 23 01:35:59 -52.793201 0.000107 LBFGSLineSearch: 24 01:36:00 -52.793201 0.000005 Minimization converged after 24 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:08 -51.504300 0.092064 LBFGSLineSearch: 1 01:36:08 -51.504418 0.111781 LBFGSLineSearch: 2 01:36:09 -51.504598 0.308734 LBFGSLineSearch: 3 01:36:10 -51.504968 0.074584 LBFGSLineSearch: 4 01:36:11 -51.504978 0.031235 LBFGSLineSearch: 5 01:36:11 -51.504982 0.016898 LBFGSLineSearch: 6 01:36:12 -51.505042 0.034587 LBFGSLineSearch: 7 01:36:13 -51.505048 0.025295 LBFGSLineSearch: 8 01:36:13 -51.505104 0.035098 LBFGSLineSearch: 9 01:36:15 -51.505132 0.037828 LBFGSLineSearch: 10 01:36:15 -51.505155 0.008223 LBFGSLineSearch: 11 01:36:16 -51.505169 0.019981 LBFGSLineSearch: 12 01:36:18 -51.505175 0.007580 LBFGSLineSearch: 13 01:36:20 -51.505178 0.010560 LBFGSLineSearch: 14 01:36:22 -51.505180 0.002632 LBFGSLineSearch: 15 01:36:23 -51.505187 0.016991 LBFGSLineSearch: 16 01:36:24 -51.505193 0.014261 LBFGSLineSearch: 17 01:36:24 -51.505195 0.003027 LBFGSLineSearch: 18 01:36:24 -51.505195 0.000647 LBFGSLineSearch: 19 01:36:25 -51.505195 0.001138 LBFGSLineSearch: 20 01:36:26 -51.505195 0.000542 LBFGSLineSearch: 21 01:36:26 -51.505195 0.000356 LBFGSLineSearch: 22 01:36:29 -51.505195 0.000129 LBFGSLineSearch: 23 01:36:30 -51.505195 0.000014 LBFGSLineSearch: 24 01:36:31 -51.505195 0.000000 Minimization converged after 24 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:39 -50.060490 0.103193 LBFGSLineSearch: 1 01:36:39 -50.060636 0.123691 LBFGSLineSearch: 2 01:36:39 -50.060944 0.362887 LBFGSLineSearch: 3 01:36:40 -50.061351 0.061623 LBFGSLineSearch: 4 01:36:41 -50.061361 0.032523 LBFGSLineSearch: 5 01:36:42 -50.061365 0.023376 LBFGSLineSearch: 6 01:36:43 -50.061454 0.049978 LBFGSLineSearch: 7 01:36:44 -50.061464 0.029865 LBFGSLineSearch: 8 01:36:44 -50.061545 0.050118 LBFGSLineSearch: 9 01:36:46 -50.061597 0.078816 LBFGSLineSearch: 10 01:36:47 -50.061635 0.010883 LBFGSLineSearch: 11 01:36:48 -50.061662 0.012552 LBFGSLineSearch: 12 01:36:48 -50.061674 0.006921 LBFGSLineSearch: 13 01:36:48 -50.061683 0.011595 LBFGSLineSearch: 14 01:36:49 -50.061690 0.004072 LBFGSLineSearch: 15 01:36:49 -50.061732 0.019603 LBFGSLineSearch: 16 01:36:49 -50.061739 0.004268 LBFGSLineSearch: 17 01:36:50 -50.061741 0.002537 LBFGSLineSearch: 18 01:36:50 -50.061741 0.002921 LBFGSLineSearch: 19 01:36:51 -50.061742 0.000998 LBFGSLineSearch: 20 01:36:51 -50.061742 0.000197 LBFGSLineSearch: 21 01:36:51 -50.061742 0.000250 LBFGSLineSearch: 22 01:36:52 -50.061742 0.000709 LBFGSLineSearch: 23 01:36:52 -50.061742 0.000015 LBFGSLineSearch: 24 01:36:53 -50.061742 0.000000 Minimization converged after 24 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:37:00 -48.443012 0.115624 LBFGSLineSearch: 1 01:37:00 -48.443199 0.139675 LBFGSLineSearch: 2 01:37:01 -48.443763 0.340016 LBFGSLineSearch: 3 01:37:01 -48.444105 0.115864 LBFGSLineSearch: 4 01:37:02 -48.444138 0.062302 LBFGSLineSearch: 5 01:37:02 -48.444146 0.027340 LBFGSLineSearch: 6 01:37:03 -48.444162 0.052307 LBFGSLineSearch: 7 01:37:04 -48.444300 0.055604 LBFGSLineSearch: 8 01:37:07 -48.444414 0.083271 LBFGSLineSearch: 9 01:37:08 -48.444508 0.049787 LBFGSLineSearch: 10 01:37:08 -48.444621 0.030552 LBFGSLineSearch: 11 01:37:09 -48.444660 0.035011 LBFGSLineSearch: 12 01:37:10 -48.444746 0.036220 LBFGSLineSearch: 13 01:37:10 -48.444784 0.076188 LBFGSLineSearch: 14 01:37:11 -48.444814 0.014107 LBFGSLineSearch: 15 01:37:13 -48.444866 0.064242 LBFGSLineSearch: 16 01:37:14 -48.445356 0.169923 LBFGSLineSearch: 17 01:37:16 -48.445974 0.277196 LBFGSLineSearch: 18 01:37:16 -48.446353 0.364921 LBFGSLineSearch: 19 01:37:17 -48.448074 0.503490 LBFGSLineSearch: 20 01:37:17 -48.450972 0.688980 LBFGSLineSearch: 21 01:37:18 -48.453145 0.687193 LBFGSLineSearch: 22 01:37:19 -48.460553 0.704589 LBFGSLineSearch: 23 01:37:19 -48.471583 1.115023 LBFGSLineSearch: 24 01:37:20 -48.483451 0.716022 LBFGSLineSearch: 25 01:37:20 -48.489110 0.644850 LBFGSLineSearch: 26 01:37:21 -48.496273 0.505335 LBFGSLineSearch: 27 01:37:22 -48.501183 0.470950 LBFGSLineSearch: 28 01:37:25 -48.506780 0.423704 LBFGSLineSearch: 29 01:37:26 -48.510761 0.387248 LBFGSLineSearch: 30 01:37:27 -48.512615 0.102710 LBFGSLineSearch: 31 01:37:28 -48.512895 0.077644 LBFGSLineSearch: 32 01:37:28 -48.513034 0.158250 LBFGSLineSearch: 33 01:37:29 -48.513406 0.147033 LBFGSLineSearch: 34 01:37:30 -48.514330 0.081687 LBFGSLineSearch: 35 01:37:31 -48.514425 0.081180 LBFGSLineSearch: 36 01:37:31 -48.514457 0.049044 LBFGSLineSearch: 37 01:37:32 -48.514500 0.080811 LBFGSLineSearch: 38 01:37:33 -48.514559 0.055521 LBFGSLineSearch: 39 01:37:35 -48.514627 0.028414 LBFGSLineSearch: 40 01:37:36 -48.514666 0.030928 LBFGSLineSearch: 41 01:37:36 -48.514685 0.017602 LBFGSLineSearch: 42 01:37:37 -48.514689 0.002736 LBFGSLineSearch: 43 01:37:37 -48.514689 0.001285 LBFGSLineSearch: 44 01:37:38 -48.514689 0.001306 LBFGSLineSearch: 45 01:37:38 -48.514689 0.000681 LBFGSLineSearch: 46 01:37:39 -48.514689 0.000322 LBFGSLineSearch: 47 01:37:39 -48.514689 0.000004 Minimization converged after 47 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:37:47 -46.739669 0.126788 LBFGSLineSearch: 1 01:37:47 -46.740125 0.269055 LBFGSLineSearch: 2 01:37:48 -46.741770 0.192370 LBFGSLineSearch: 3 01:37:48 -46.741836 0.146514 LBFGSLineSearch: 4 01:37:48 -46.742036 0.039601 LBFGSLineSearch: 5 01:37:49 -46.742223 0.067945 LBFGSLineSearch: 6 01:37:49 -46.742357 0.063443 LBFGSLineSearch: 7 01:37:50 -46.742465 0.036464 LBFGSLineSearch: 8 01:37:50 -46.742595 0.034963 LBFGSLineSearch: 9 01:37:51 -46.742640 0.024126 LBFGSLineSearch: 10 01:37:51 -46.742652 0.013231 LBFGSLineSearch: 11 01:37:52 -46.742666 0.022766 LBFGSLineSearch: 12 01:37:52 -46.742672 0.008948 LBFGSLineSearch: 13 01:37:53 -46.742675 0.003964 LBFGSLineSearch: 14 01:37:53 -46.742675 0.003025 LBFGSLineSearch: 15 01:37:54 -46.742676 0.001592 LBFGSLineSearch: 16 01:37:54 -46.742676 0.003482 LBFGSLineSearch: 17 01:37:55 -46.742677 0.001479 LBFGSLineSearch: 18 01:37:56 -46.742678 0.003621 LBFGSLineSearch: 19 01:37:56 -46.742679 0.001040 LBFGSLineSearch: 20 01:37:56 -46.742679 0.000983 LBFGSLineSearch: 21 01:37:57 -46.742679 0.000181 LBFGSLineSearch: 22 01:37:57 -46.742679 0.000180 LBFGSLineSearch: 23 01:37:59 -46.742679 0.000768 LBFGSLineSearch: 24 01:37:59 -46.742679 0.000001 Minimization converged after 24 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:07 -44.756981 0.141836 LBFGSLineSearch: 1 01:38:08 -44.757566 0.277221 LBFGSLineSearch: 2 01:38:08 -44.759635 0.174971 LBFGSLineSearch: 3 01:38:09 -44.759817 0.175709 LBFGSLineSearch: 4 01:38:09 -44.759953 0.120011 LBFGSLineSearch: 5 01:38:10 -44.760250 0.025987 LBFGSLineSearch: 6 01:38:11 -44.760370 0.042421 LBFGSLineSearch: 7 01:38:12 -44.760476 0.023520 LBFGSLineSearch: 8 01:38:13 -44.760551 0.018168 LBFGSLineSearch: 9 01:38:14 -44.760559 0.020349 LBFGSLineSearch: 10 01:38:15 -44.760570 0.014518 LBFGSLineSearch: 11 01:38:16 -44.760580 0.016836 LBFGSLineSearch: 12 01:38:17 -44.760582 0.002716 LBFGSLineSearch: 13 01:38:18 -44.760583 0.005740 LBFGSLineSearch: 14 01:38:18 -44.760584 0.002388 LBFGSLineSearch: 15 01:38:19 -44.760586 0.005387 LBFGSLineSearch: 16 01:38:19 -44.760587 0.007002 LBFGSLineSearch: 17 01:38:20 -44.760588 0.002261 LBFGSLineSearch: 18 01:38:20 -44.760588 0.000048 LBFGSLineSearch: 19 01:38:20 -44.760588 0.000328 LBFGSLineSearch: 20 01:38:20 -44.760588 0.000002 Minimization converged after 20 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:28 -42.539759 0.158631 LBFGSLineSearch: 1 01:38:28 -42.540519 0.277313 LBFGSLineSearch: 2 01:38:30 -42.542806 0.309165 LBFGSLineSearch: 3 01:38:31 -42.543033 0.208099 LBFGSLineSearch: 4 01:38:31 -42.543397 0.054215 LBFGSLineSearch: 5 01:38:32 -42.543708 0.130232 LBFGSLineSearch: 6 01:38:33 -42.543884 0.069312 LBFGSLineSearch: 7 01:38:34 -42.544001 0.052710 LBFGSLineSearch: 8 01:38:34 -42.544069 0.029057 LBFGSLineSearch: 9 01:38:35 -42.544106 0.020887 LBFGSLineSearch: 10 01:38:36 -42.544111 0.006418 LBFGSLineSearch: 11 01:38:36 -42.544116 0.024099 LBFGSLineSearch: 12 01:38:37 -42.544125 0.013446 LBFGSLineSearch: 13 01:38:38 -42.544129 0.002905 LBFGSLineSearch: 14 01:38:38 -42.544130 0.002920 LBFGSLineSearch: 15 01:38:39 -42.544131 0.002156 LBFGSLineSearch: 16 01:38:40 -42.544135 0.005731 LBFGSLineSearch: 17 01:38:40 -42.544136 0.000945 LBFGSLineSearch: 18 01:38:41 -42.544136 0.000482 LBFGSLineSearch: 19 01:38:41 -42.544136 0.000318 LBFGSLineSearch: 20 01:38:42 -42.544136 0.000098 LBFGSLineSearch: 21 01:38:44 -42.544136 0.000175 LBFGSLineSearch: 22 01:38:46 -42.544136 0.000001 Minimization converged after 22 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:53 -40.061107 0.177359 LBFGSLineSearch: 1 01:38:54 -40.062436 0.594988 LBFGSLineSearch: 2 01:38:54 -40.064730 0.156366 LBFGSLineSearch: 3 01:38:55 -40.065341 0.138815 LBFGSLineSearch: 4 01:38:55 -40.065617 0.191341 LBFGSLineSearch: 5 01:38:56 -40.065972 0.108584 LBFGSLineSearch: 6 01:38:57 -40.066107 0.052138 LBFGSLineSearch: 7 01:38:57 -40.066208 0.024154 LBFGSLineSearch: 8 01:38:58 -40.066287 0.069133 LBFGSLineSearch: 9 01:38:59 -40.066370 0.043175 LBFGSLineSearch: 10 01:39:00 -40.066399 0.007488 LBFGSLineSearch: 11 01:39:01 -40.066404 0.009638 LBFGSLineSearch: 12 01:39:03 -40.066412 0.007350 LBFGSLineSearch: 13 01:39:04 -40.066417 0.006793 LBFGSLineSearch: 14 01:39:04 -40.066419 0.004985 LBFGSLineSearch: 15 01:39:05 -40.066421 0.003202 LBFGSLineSearch: 16 01:39:05 -40.066423 0.004158 LBFGSLineSearch: 17 01:39:06 -40.066428 0.011437 LBFGSLineSearch: 18 01:39:06 -40.066429 0.005444 LBFGSLineSearch: 19 01:39:07 -40.066429 0.000374 LBFGSLineSearch: 20 01:39:07 -40.066429 0.000070 LBFGSLineSearch: 21 01:39:07 -40.066429 0.000062 LBFGSLineSearch: 22 01:39:08 -40.066429 0.000081 LBFGSLineSearch: 23 01:39:08 -40.066429 0.000011 LBFGSLineSearch: 24 01:39:09 -40.066429 0.000000 Minimization converged after 24 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:16 -37.291218 0.198229 LBFGSLineSearch: 1 01:39:17 -37.293119 0.547800 LBFGSLineSearch: 2 01:39:18 -37.296205 0.187322 LBFGSLineSearch: 3 01:39:18 -37.296748 0.106327 LBFGSLineSearch: 4 01:39:19 -37.297416 0.039597 LBFGSLineSearch: 5 01:39:20 -37.297622 0.026193 LBFGSLineSearch: 6 01:39:21 -37.297704 0.044441 LBFGSLineSearch: 7 01:39:22 -37.297768 0.041941 LBFGSLineSearch: 8 01:39:23 -37.297806 0.010993 LBFGSLineSearch: 9 01:39:24 -37.297823 0.005221 LBFGSLineSearch: 10 01:39:25 -37.297830 0.006682 LBFGSLineSearch: 11 01:39:27 -37.297836 0.005656 LBFGSLineSearch: 12 01:39:27 -37.297843 0.004901 LBFGSLineSearch: 13 01:39:28 -37.297847 0.004492 LBFGSLineSearch: 14 01:39:28 -37.297849 0.004478 LBFGSLineSearch: 15 01:39:29 -37.297857 0.003664 LBFGSLineSearch: 16 01:39:29 -37.297858 0.004034 LBFGSLineSearch: 17 01:39:30 -37.297858 0.000747 LBFGSLineSearch: 18 01:39:30 -37.297858 0.000060 LBFGSLineSearch: 19 01:39:31 -37.297858 0.000025 LBFGSLineSearch: 20 01:39:32 -37.297858 0.000000 Minimization converged after 20 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:39 -34.197948 0.221422 LBFGSLineSearch: 1 01:39:40 -34.200727 0.534191 LBFGSLineSearch: 2 01:39:40 -34.204615 0.163750 LBFGSLineSearch: 3 01:39:41 -34.205566 0.083198 LBFGSLineSearch: 4 01:39:41 -34.206163 0.061209 LBFGSLineSearch: 5 01:39:42 -34.206619 0.032509 LBFGSLineSearch: 6 01:39:42 -34.206705 0.021785 LBFGSLineSearch: 7 01:39:43 -34.206733 0.016638 LBFGSLineSearch: 8 01:39:44 -34.206758 0.010598 LBFGSLineSearch: 9 01:39:44 -34.206792 0.014581 LBFGSLineSearch: 10 01:39:45 -34.206833 0.028392 LBFGSLineSearch: 11 01:39:46 -34.206845 0.019972 LBFGSLineSearch: 12 01:39:47 -34.206851 0.013907 LBFGSLineSearch: 13 01:39:48 -34.206868 0.007659 LBFGSLineSearch: 14 01:39:48 -34.206879 0.010917 LBFGSLineSearch: 15 01:39:49 -34.206898 0.003647 LBFGSLineSearch: 16 01:39:49 -34.206900 0.003629 LBFGSLineSearch: 17 01:39:50 -34.206904 0.004097 LBFGSLineSearch: 18 01:39:51 -34.206906 0.001449 LBFGSLineSearch: 19 01:39:51 -34.206907 0.000524 LBFGSLineSearch: 20 01:39:51 -34.206907 0.000189 LBFGSLineSearch: 21 01:39:52 -34.206907 0.000107 LBFGSLineSearch: 22 01:39:52 -34.206907 0.000114 LBFGSLineSearch: 23 01:39:53 -34.206907 0.000002 Minimization converged after 23 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:00 -30.747669 0.247088 LBFGSLineSearch: 1 01:40:01 -30.752459 0.485512 LBFGSLineSearch: 2 01:40:02 -30.755985 0.285382 LBFGSLineSearch: 3 01:40:03 -30.756507 0.349542 LBFGSLineSearch: 4 01:40:04 -30.757887 0.132724 LBFGSLineSearch: 5 01:40:04 -30.758975 0.074445 LBFGSLineSearch: 6 01:40:05 -30.759860 0.038656 LBFGSLineSearch: 7 01:40:06 -30.760123 0.033352 LBFGSLineSearch: 8 01:40:07 -30.761023 0.114697 LBFGSLineSearch: 9 01:40:08 -33.206368 4.869543 LBFGSLineSearch: 10 01:40:09 -33.206372 4.898529 LBFGSLineSearch: 11 01:40:10 -33.433865 2.160864 LBFGSLineSearch: 12 01:40:10 -33.721002 3.259443 LBFGSLineSearch: 13 01:40:10 -33.765791 1.240832 LBFGSLineSearch: 14 01:40:11 -33.874317 0.874681 LBFGSLineSearch: 15 01:40:12 -33.903595 0.721105 LBFGSLineSearch: 16 01:40:12 -33.935404 0.940918 LBFGSLineSearch: 17 01:40:12 -34.012709 0.842932 LBFGSLineSearch: 18 01:40:13 -34.075371 1.616791 LBFGSLineSearch: 19 01:40:13 -34.141815 1.138166 LBFGSLineSearch: 20 01:40:14 -34.163091 0.556258 LBFGSLineSearch: 21 01:40:14 -34.180330 0.614184 LBFGSLineSearch: 22 01:40:15 -34.204618 0.462275 LBFGSLineSearch: 23 01:40:15 -34.233785 0.336067 LBFGSLineSearch: 24 01:40:16 -34.240064 0.339940 LBFGSLineSearch: 25 01:40:16 -34.241872 0.331010 LBFGSLineSearch: 26 01:40:17 -34.244388 0.264872 LBFGSLineSearch: 27 01:40:17 -34.249368 0.157559 LBFGSLineSearch: 28 01:40:18 -34.250482 0.107262 LBFGSLineSearch: 29 01:40:18 -34.250699 0.054889 LBFGSLineSearch: 30 01:40:19 -34.250947 0.044446 LBFGSLineSearch: 31 01:40:19 -34.251114 0.040583 LBFGSLineSearch: 32 01:40:21 -34.251135 0.017731 LBFGSLineSearch: 33 01:40:22 -34.251145 0.027241 LBFGSLineSearch: 34 01:40:22 -34.251166 0.022895 LBFGSLineSearch: 35 01:40:23 -34.251202 0.012206 LBFGSLineSearch: 36 01:40:23 -34.251210 0.005995 LBFGSLineSearch: 37 01:40:24 -34.251212 0.003781 LBFGSLineSearch: 38 01:40:24 -34.251213 0.003368 LBFGSLineSearch: 39 01:40:24 -34.251213 0.002832 LBFGSLineSearch: 40 01:40:25 -34.251214 0.001726 LBFGSLineSearch: 41 01:40:27 -34.251214 0.000395 LBFGSLineSearch: 42 01:40:29 -34.251214 0.000066 LBFGSLineSearch: 43 01:40:30 -34.251214 0.000001 Minimization converged after 43 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:37 -30.595278 0.261139 LBFGSLineSearch: 1 01:40:38 -30.603984 0.065260 LBFGSLineSearch: 2 01:40:38 -30.604470 0.034240 LBFGSLineSearch: 3 01:40:39 -30.604550 0.026062 LBFGSLineSearch: 4 01:40:39 -30.604643 0.021343 LBFGSLineSearch: 5 01:40:39 -30.604680 0.017489 LBFGSLineSearch: 6 01:40:40 -30.604743 0.015165 LBFGSLineSearch: 7 01:40:40 -30.604780 0.014013 LBFGSLineSearch: 8 01:40:41 -30.604806 0.009085 LBFGSLineSearch: 9 01:40:42 -30.604827 0.009534 LBFGSLineSearch: 10 01:40:42 -30.604860 0.006093 LBFGSLineSearch: 11 01:40:43 -30.604868 0.004397 LBFGSLineSearch: 12 01:40:44 -30.604869 0.003707 LBFGSLineSearch: 13 01:40:45 -30.604870 0.002574 LBFGSLineSearch: 14 01:40:46 -30.604873 0.002559 LBFGSLineSearch: 15 01:40:47 -30.604874 0.001110 LBFGSLineSearch: 16 01:40:48 -30.604874 0.001106 LBFGSLineSearch: 17 01:40:48 -30.604874 0.000970 LBFGSLineSearch: 18 01:40:49 -30.604874 0.000506 LBFGSLineSearch: 19 01:40:49 -30.604874 0.000616 LBFGSLineSearch: 20 01:40:50 -30.604874 0.000413 LBFGSLineSearch: 21 01:40:50 -30.604874 0.000107 LBFGSLineSearch: 22 01:40:51 -30.604874 0.000005 Minimization converged after 22 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:58 -26.522699 0.291589 LBFGSLineSearch: 1 01:40:58 -26.533393 0.068305 LBFGSLineSearch: 2 01:40:59 -26.533899 0.044079 LBFGSLineSearch: 3 01:40:59 -26.534010 0.031854 LBFGSLineSearch: 4 01:41:00 -26.534111 0.026219 LBFGSLineSearch: 5 01:41:00 -26.534158 0.023281 LBFGSLineSearch: 6 01:41:01 -26.534219 0.018486 LBFGSLineSearch: 7 01:41:01 -26.534256 0.014365 LBFGSLineSearch: 8 01:41:02 -26.534286 0.011391 LBFGSLineSearch: 9 01:41:03 -26.534306 0.010957 LBFGSLineSearch: 10 01:41:03 -26.534321 0.008637 LBFGSLineSearch: 11 01:41:04 -26.534334 0.008659 LBFGSLineSearch: 12 01:41:05 -26.534359 0.006093 LBFGSLineSearch: 13 01:41:06 -26.534372 0.005269 LBFGSLineSearch: 14 01:41:06 -26.534373 0.004337 LBFGSLineSearch: 15 01:41:06 -26.534374 0.003261 LBFGSLineSearch: 16 01:41:07 -26.534376 0.004977 LBFGSLineSearch: 17 01:41:08 -26.534379 0.001335 LBFGSLineSearch: 18 01:41:09 -26.534379 0.001409 LBFGSLineSearch: 19 01:41:09 -26.534379 0.001148 LBFGSLineSearch: 20 01:41:10 -26.534380 0.001056 LBFGSLineSearch: 21 01:41:10 -26.534380 0.000220 LBFGSLineSearch: 22 01:41:11 -26.534380 0.000065 LBFGSLineSearch: 23 01:41:11 -26.534380 0.000007 Minimization converged after 23 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:19 -21.978344 0.325434 LBFGSLineSearch: 1 01:41:20 -21.991378 0.078157 LBFGSLineSearch: 2 01:41:20 -21.991866 0.070989 LBFGSLineSearch: 3 01:41:21 -21.992069 0.034976 LBFGSLineSearch: 4 01:41:21 -21.992170 0.032858 LBFGSLineSearch: 5 01:41:22 -21.992258 0.026526 LBFGSLineSearch: 6 01:41:22 -21.992318 0.020226 LBFGSLineSearch: 7 01:41:24 -21.992376 0.011467 LBFGSLineSearch: 8 01:41:24 -21.992409 0.013108 LBFGSLineSearch: 9 01:41:25 -21.992434 0.011645 LBFGSLineSearch: 10 01:41:25 -21.992450 0.008649 LBFGSLineSearch: 11 01:41:26 -21.992460 0.008467 LBFGSLineSearch: 12 01:41:26 -21.992473 0.009964 LBFGSLineSearch: 13 01:41:27 -21.992493 0.004594 LBFGSLineSearch: 14 01:41:27 -21.992496 0.003871 LBFGSLineSearch: 15 01:41:28 -21.992499 0.003618 LBFGSLineSearch: 16 01:41:28 -21.992501 0.002364 LBFGSLineSearch: 17 01:41:29 -21.992502 0.001160 LBFGSLineSearch: 18 01:41:29 -21.992502 0.001377 LBFGSLineSearch: 19 01:41:30 -21.992502 0.001604 LBFGSLineSearch: 20 01:41:31 -21.992503 0.001025 LBFGSLineSearch: 21 01:41:31 -21.992503 0.000788 LBFGSLineSearch: 22 01:41:32 -21.992503 0.000226 LBFGSLineSearch: 23 01:41:32 -21.992503 0.000090 LBFGSLineSearch: 24 01:41:33 -21.992503 0.000014 LBFGSLineSearch: 25 01:41:33 -21.992503 0.000001 Minimization converged after 25 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:40 -16.910118 0.363028 LBFGSLineSearch: 1 01:41:41 -16.925960 0.104807 LBFGSLineSearch: 2 01:41:41 -16.926543 0.052495 LBFGSLineSearch: 3 01:41:41 -16.926774 0.034978 LBFGSLineSearch: 4 01:41:42 -16.926910 0.031439 LBFGSLineSearch: 5 01:41:43 -16.927015 0.033985 LBFGSLineSearch: 6 01:41:43 -16.927142 0.023556 LBFGSLineSearch: 7 01:41:43 -16.927207 0.020094 LBFGSLineSearch: 8 01:41:45 -16.927265 0.013475 LBFGSLineSearch: 9 01:41:45 -16.927285 0.010026 LBFGSLineSearch: 10 01:41:46 -16.927301 0.010081 LBFGSLineSearch: 11 01:41:47 -16.927327 0.003987 LBFGSLineSearch: 12 01:41:48 -16.927329 0.003082 LBFGSLineSearch: 13 01:41:48 -16.927332 0.003314 LBFGSLineSearch: 14 01:41:48 -16.927334 0.001048 LBFGSLineSearch: 15 01:41:49 -16.927335 0.001120 LBFGSLineSearch: 16 01:41:49 -16.927335 0.000811 LBFGSLineSearch: 17 01:41:49 -16.927335 0.000275 LBFGSLineSearch: 18 01:41:50 -16.927335 0.000002 Minimization converged after 18 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:57 -11.260993 0.404740 LBFGSLineSearch: 1 01:41:58 -11.280147 0.135308 LBFGSLineSearch: 2 01:41:58 -11.280810 0.056947 LBFGSLineSearch: 3 01:41:59 -11.281083 0.033107 LBFGSLineSearch: 4 01:41:59 -11.281245 0.036065 LBFGSLineSearch: 5 01:42:01 -11.281466 0.041933 LBFGSLineSearch: 6 01:42:01 -11.281612 0.033362 LBFGSLineSearch: 7 01:42:01 -11.281707 0.021482 LBFGSLineSearch: 8 01:42:02 -11.281774 0.019312 LBFGSLineSearch: 9 01:42:03 -11.281823 0.016438 LBFGSLineSearch: 10 01:42:03 -11.281841 0.013809 LBFGSLineSearch: 11 01:42:05 -11.281858 0.010892 LBFGSLineSearch: 12 01:42:07 -11.281889 0.008561 LBFGSLineSearch: 13 01:42:08 -11.281898 0.003745 LBFGSLineSearch: 14 01:42:09 -11.281900 0.003916 LBFGSLineSearch: 15 01:42:09 -11.281902 0.004285 LBFGSLineSearch: 16 01:42:10 -11.281904 0.001839 LBFGSLineSearch: 17 01:42:10 -11.281904 0.000261 LBFGSLineSearch: 18 01:42:10 -11.281904 0.000079 LBFGSLineSearch: 19 01:42:11 -11.281904 0.000064 LBFGSLineSearch: 20 01:42:11 -11.281904 0.000061 LBFGSLineSearch: 21 01:42:12 -11.281904 0.000001 Minimization converged after 21 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:19 -4.968317 0.450970 LBFGSLineSearch: 1 01:42:20 -4.991412 0.175146 LBFGSLineSearch: 2 01:42:21 -4.992258 0.067200 LBFGSLineSearch: 3 01:42:21 -4.992577 0.041332 LBFGSLineSearch: 4 01:42:22 -4.992775 0.042908 LBFGSLineSearch: 5 01:42:22 -4.993068 0.054003 LBFGSLineSearch: 6 01:42:23 -4.993434 0.055879 LBFGSLineSearch: 7 01:42:23 -4.993663 0.029843 LBFGSLineSearch: 8 01:42:23 -4.993827 0.038262 LBFGSLineSearch: 9 01:42:24 -4.993910 0.017572 LBFGSLineSearch: 10 01:42:25 -4.993949 0.018481 LBFGSLineSearch: 11 01:42:25 -4.993985 0.021073 LBFGSLineSearch: 12 01:42:26 -4.994045 0.008542 LBFGSLineSearch: 13 01:42:27 -4.994061 0.004895 LBFGSLineSearch: 14 01:42:28 -4.994067 0.005797 LBFGSLineSearch: 15 01:42:29 -4.994072 0.005677 LBFGSLineSearch: 16 01:42:29 -4.994075 0.002237 LBFGSLineSearch: 17 01:42:30 -4.994075 0.001305 LBFGSLineSearch: 18 01:42:30 -4.994075 0.001482 LBFGSLineSearch: 19 01:42:31 -4.994076 0.002394 LBFGSLineSearch: 20 01:42:32 -4.994077 0.000616 LBFGSLineSearch: 21 01:42:32 -4.994077 0.000148 LBFGSLineSearch: 22 01:42:33 -4.994077 0.000001 Minimization converged after 22 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:39 2.034798 0.502062 LBFGSLineSearch: 1 01:42:39 2.006965 0.240426 LBFGSLineSearch: 2 01:42:40 2.005636 0.086243 LBFGSLineSearch: 3 01:42:41 2.005054 0.057759 LBFGSLineSearch: 4 01:42:41 2.004788 0.062415 LBFGSLineSearch: 5 01:42:42 2.003833 0.093865 LBFGSLineSearch: 6 01:42:42 2.003028 0.078375 LBFGSLineSearch: 7 01:42:43 2.002593 0.051217 LBFGSLineSearch: 8 01:42:43 2.001930 0.072590 LBFGSLineSearch: 9 01:42:43 2.001750 0.034875 LBFGSLineSearch: 10 01:42:44 2.001654 0.028674 LBFGSLineSearch: 11 01:42:44 2.001530 0.056987 LBFGSLineSearch: 12 01:42:45 2.001291 0.013672 LBFGSLineSearch: 13 01:42:46 2.001261 0.011917 LBFGSLineSearch: 14 01:42:46 2.001229 0.008445 LBFGSLineSearch: 15 01:42:47 2.001210 0.007229 LBFGSLineSearch: 16 01:42:48 2.001201 0.004282 LBFGSLineSearch: 17 01:42:48 2.001199 0.004065 LBFGSLineSearch: 18 01:42:49 2.001193 0.005786 LBFGSLineSearch: 19 01:42:49 2.001185 0.003555 LBFGSLineSearch: 20 01:42:50 2.001184 0.000957 LBFGSLineSearch: 21 01:42:51 2.001184 0.000005 Minimization converged after 21 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:58 9.813358 0.558011 LBFGSLineSearch: 1 01:42:58 9.779888 0.325643 LBFGSLineSearch: 2 01:42:59 9.777657 0.115152 LBFGSLineSearch: 3 01:43:00 9.776467 0.110051 LBFGSLineSearch: 4 01:43:01 9.775697 0.110037 LBFGSLineSearch: 5 01:43:01 9.771191 0.151425 LBFGSLineSearch: 6 01:43:02 9.761095 0.364757 LBFGSLineSearch: 7 01:43:03 9.372418 1.825089 LBFGSLineSearch: 8 01:43:05 9.371774 1.840795 LBFGSLineSearch: 9 01:43:06 9.083407 1.314425 LBFGSLineSearch: 10 01:43:07 8.857437 1.483286 LBFGSLineSearch: 11 01:43:08 8.653030 0.877268 LBFGSLineSearch: 12 01:43:09 8.467181 0.575277 LBFGSLineSearch: 13 01:43:09 8.387608 0.542918 LBFGSLineSearch: 14 01:43:11 8.367961 0.338731 LBFGSLineSearch: 15 01:43:11 8.361034 0.118275 LBFGSLineSearch: 16 01:43:11 8.359582 0.079419 LBFGSLineSearch: 17 01:43:12 8.358957 0.075260 LBFGSLineSearch: 18 01:43:13 8.358158 0.102837 LBFGSLineSearch: 19 01:43:14 8.355046 0.108370 LBFGSLineSearch: 20 01:43:15 8.354337 0.024689 LBFGSLineSearch: 21 01:43:16 8.354271 0.020055 LBFGSLineSearch: 22 01:43:17 8.354240 0.017336 LBFGSLineSearch: 23 01:43:18 8.354218 0.011391 LBFGSLineSearch: 24 01:43:18 8.354204 0.009248 LBFGSLineSearch: 25 01:43:19 8.354195 0.009070 LBFGSLineSearch: 26 01:43:20 8.354187 0.007042 LBFGSLineSearch: 27 01:43:21 8.354172 0.006446 LBFGSLineSearch: 28 01:43:22 8.354168 0.001458 LBFGSLineSearch: 29 01:43:23 8.354168 0.000572 LBFGSLineSearch: 30 01:43:23 8.354168 0.000082 LBFGSLineSearch: 31 01:43:24 8.354168 0.000008 Minimization converged after 31 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:31 16.667069 0.593784 LBFGSLineSearch: 1 01:43:33 16.632968 0.189069 LBFGSLineSearch: 2 01:43:33 16.631794 0.226488 LBFGSLineSearch: 3 01:43:34 16.630397 0.062698 LBFGSLineSearch: 4 01:43:34 16.630203 0.072791 LBFGSLineSearch: 5 01:43:35 16.629972 0.052661 LBFGSLineSearch: 6 01:43:36 16.629490 0.087155 LBFGSLineSearch: 7 01:43:36 16.628810 0.064226 LBFGSLineSearch: 8 01:43:37 16.628536 0.058728 LBFGSLineSearch: 9 01:43:37 16.628274 0.037562 LBFGSLineSearch: 10 01:43:38 16.628002 0.022208 LBFGSLineSearch: 11 01:43:38 16.627942 0.017623 LBFGSLineSearch: 12 01:43:39 16.627900 0.015550 LBFGSLineSearch: 13 01:43:40 16.627817 0.013910 LBFGSLineSearch: 14 01:43:40 16.627798 0.010424 LBFGSLineSearch: 15 01:43:40 16.627790 0.004636 LBFGSLineSearch: 16 01:43:41 16.627788 0.002122 LBFGSLineSearch: 17 01:43:41 16.627787 0.000931 LBFGSLineSearch: 18 01:43:42 16.627787 0.000878 LBFGSLineSearch: 19 01:43:42 16.627787 0.000779 LBFGSLineSearch: 20 01:43:43 16.627787 0.000300 LBFGSLineSearch: 21 01:43:43 16.627787 0.000012 LBFGSLineSearch: 22 01:43:44 16.627787 0.000000 Minimization converged after 22 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:51 25.870642 0.660204 LBFGSLineSearch: 1 01:43:51 25.829904 0.212972 LBFGSLineSearch: 2 01:43:51 25.828044 0.263626 LBFGSLineSearch: 3 01:43:52 25.826102 0.106817 LBFGSLineSearch: 4 01:43:53 25.825686 0.073392 LBFGSLineSearch: 5 01:43:53 25.825264 0.069001 LBFGSLineSearch: 6 01:43:54 25.824409 0.081872 LBFGSLineSearch: 7 01:43:55 25.822880 0.093159 LBFGSLineSearch: 8 01:43:56 25.821791 0.079651 LBFGSLineSearch: 9 01:43:56 25.821463 0.062278 LBFGSLineSearch: 10 01:43:57 25.821119 0.033845 LBFGSLineSearch: 11 01:43:58 25.820915 0.030123 LBFGSLineSearch: 12 01:43:58 25.820801 0.024043 LBFGSLineSearch: 13 01:43:58 25.820712 0.010803 LBFGSLineSearch: 14 01:43:59 25.820693 0.010289 LBFGSLineSearch: 15 01:44:00 25.820666 0.002620 LBFGSLineSearch: 16 01:44:00 25.820665 0.002015 LBFGSLineSearch: 17 01:44:01 25.820664 0.002804 LBFGSLineSearch: 18 01:44:02 25.820663 0.000872 LBFGSLineSearch: 19 01:44:02 25.820663 0.000003 Minimization converged after 19 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:09 36.081872 0.732947 LBFGSLineSearch: 1 01:44:10 36.033077 0.239338 LBFGSLineSearch: 2 01:44:10 36.029613 0.325458 LBFGSLineSearch: 3 01:44:11 36.025067 0.179416 LBFGSLineSearch: 4 01:44:12 36.023759 0.168576 LBFGSLineSearch: 5 01:44:12 36.019998 0.178678 LBFGSLineSearch: 6 01:44:14 34.677921 3.286727 LBFGSLineSearch: 7 01:44:15 34.677874 3.272536 LBFGSLineSearch: 8 01:44:15 32.929023 2.538994 LBFGSLineSearch: 9 01:44:15 32.735462 1.576163 LBFGSLineSearch: 10 01:44:16 32.711827 0.656402 LBFGSLineSearch: 11 01:44:17 32.659780 1.282433 LBFGSLineSearch: 12 01:44:18 32.526873 1.226176 LBFGSLineSearch: 13 01:44:18 31.959722 3.909258 LBFGSLineSearch: 14 01:44:20 31.507552 2.056034 LBFGSLineSearch: 15 01:44:20 31.263879 1.922476 LBFGSLineSearch: 16 01:44:21 31.025574 3.174064 LBFGSLineSearch: 17 01:44:23 30.712945 2.515472 LBFGSLineSearch: 18 01:44:23 30.421036 1.782017 LBFGSLineSearch: 19 01:44:23 30.162078 1.903852 LBFGSLineSearch: 20 01:44:24 29.953680 2.820614 LBFGSLineSearch: 21 01:44:25 29.865412 2.451086 LBFGSLineSearch: 22 01:44:26 29.788525 0.961153 LBFGSLineSearch: 23 01:44:26 29.688759 0.842915 LBFGSLineSearch: 24 01:44:27 29.643251 1.087804 LBFGSLineSearch: 25 01:44:27 29.621473 0.546329 LBFGSLineSearch: 26 01:44:28 29.605551 0.438128 LBFGSLineSearch: 27 01:44:29 29.580348 0.891088 LBFGSLineSearch: 28 01:44:30 29.556268 0.586257 LBFGSLineSearch: 29 01:44:30 29.536679 0.768689 LBFGSLineSearch: 30 01:44:31 29.522098 0.324805 LBFGSLineSearch: 31 01:44:31 29.518232 0.164772 LBFGSLineSearch: 32 01:44:32 29.517398 0.107454 LBFGSLineSearch: 33 01:44:32 29.517173 0.098589 LBFGSLineSearch: 34 01:44:33 29.516870 0.067646 LBFGSLineSearch: 35 01:44:33 29.516792 0.020884 LBFGSLineSearch: 36 01:44:34 29.516771 0.004488 LBFGSLineSearch: 37 01:44:34 29.516770 0.001496 LBFGSLineSearch: 38 01:44:34 29.516770 0.000531 LBFGSLineSearch: 39 01:44:34 29.516770 0.000294 LBFGSLineSearch: 40 01:44:35 29.516770 0.000105 LBFGSLineSearch: 41 01:44:36 29.516770 0.000016 LBFGSLineSearch: 42 01:44:36 29.516770 0.000003 Minimization converged after 42 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:43 40.002565 0.748987 LBFGSLineSearch: 1 01:44:44 39.967411 0.721920 LBFGSLineSearch: 2 01:44:45 39.955696 0.307240 LBFGSLineSearch: 3 01:44:45 39.953279 0.430310 LBFGSLineSearch: 4 01:44:46 39.952173 0.150551 LBFGSLineSearch: 5 01:44:46 39.951459 0.078476 LBFGSLineSearch: 6 01:44:47 39.951209 0.048829 LBFGSLineSearch: 7 01:44:47 39.951035 0.038157 LBFGSLineSearch: 8 01:44:48 39.950951 0.027872 LBFGSLineSearch: 9 01:44:48 39.950838 0.036291 LBFGSLineSearch: 10 01:44:49 39.950758 0.022217 LBFGSLineSearch: 11 01:44:49 39.950677 0.017608 LBFGSLineSearch: 12 01:44:49 39.950620 0.020468 LBFGSLineSearch: 13 01:44:50 39.950505 0.016598 LBFGSLineSearch: 14 01:44:51 39.950461 0.019453 LBFGSLineSearch: 15 01:44:51 39.950441 0.018704 LBFGSLineSearch: 16 01:44:52 39.950393 0.005705 LBFGSLineSearch: 17 01:44:52 39.950391 0.002788 LBFGSLineSearch: 18 01:44:52 39.950391 0.002107 LBFGSLineSearch: 19 01:44:53 39.950390 0.000446 LBFGSLineSearch: 20 01:44:53 39.950390 0.000070 LBFGSLineSearch: 21 01:44:54 39.950390 0.000013 LBFGSLineSearch: 22 01:44:54 39.950390 0.000000 Minimization converged after 22 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:02 51.604718 0.832452 LBFGSLineSearch: 1 01:45:02 51.568987 0.692954 LBFGSLineSearch: 2 01:45:03 51.554654 0.406677 LBFGSLineSearch: 3 01:45:04 51.548548 0.190788 LBFGSLineSearch: 4 01:45:04 51.547148 0.344831 LBFGSLineSearch: 5 01:45:05 51.546795 0.217348 LBFGSLineSearch: 6 01:45:05 51.546343 0.075378 LBFGSLineSearch: 7 01:45:06 51.546088 0.068597 LBFGSLineSearch: 8 01:45:06 51.545967 0.050416 LBFGSLineSearch: 9 01:45:06 51.545776 0.039616 LBFGSLineSearch: 10 01:45:07 51.545534 0.048001 LBFGSLineSearch: 11 01:45:07 51.545266 0.071182 LBFGSLineSearch: 12 01:45:08 51.545051 0.078016 LBFGSLineSearch: 13 01:45:08 51.544897 0.099022 LBFGSLineSearch: 14 01:45:09 51.544515 0.047882 LBFGSLineSearch: 15 01:45:10 51.544404 0.032677 LBFGSLineSearch: 16 01:45:10 51.544356 0.023742 LBFGSLineSearch: 17 01:45:10 51.544295 0.042888 LBFGSLineSearch: 18 01:45:11 51.544237 0.008717 LBFGSLineSearch: 19 01:45:11 51.544222 0.007899 LBFGSLineSearch: 20 01:45:12 51.544217 0.001710 LBFGSLineSearch: 21 01:45:13 51.544216 0.000218 LBFGSLineSearch: 22 01:45:13 51.544216 0.000016 LBFGSLineSearch: 23 01:45:14 51.544216 0.000001 Minimization converged after 23 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:20 64.491208 0.924786 LBFGSLineSearch: 1 01:45:21 64.431760 0.455540 LBFGSLineSearch: 2 01:45:21 64.427261 0.353194 LBFGSLineSearch: 3 01:45:22 64.424785 0.128482 LBFGSLineSearch: 4 01:45:22 64.424115 0.161951 LBFGSLineSearch: 5 01:45:23 64.423499 0.075808 LBFGSLineSearch: 6 01:45:24 64.423364 0.064057 LBFGSLineSearch: 7 01:45:25 64.423130 0.064004 LBFGSLineSearch: 8 01:45:26 64.422564 0.056160 LBFGSLineSearch: 9 01:45:26 64.422234 0.044684 LBFGSLineSearch: 10 01:45:27 64.421897 0.102682 LBFGSLineSearch: 11 01:45:27 64.421631 0.056801 LBFGSLineSearch: 12 01:45:28 64.421436 0.040533 LBFGSLineSearch: 13 01:45:28 64.421349 0.042163 LBFGSLineSearch: 14 01:45:29 64.421026 0.065104 LBFGSLineSearch: 15 01:45:29 64.420757 0.054458 LBFGSLineSearch: 16 01:45:30 64.420711 0.022398 LBFGSLineSearch: 17 01:45:31 64.420561 0.032421 LBFGSLineSearch: 18 01:45:31 64.420429 0.013376 LBFGSLineSearch: 19 01:45:32 64.420416 0.012226 LBFGSLineSearch: 20 01:45:32 64.420381 0.003912 LBFGSLineSearch: 21 01:45:33 64.420379 0.000872 LBFGSLineSearch: 22 01:45:34 64.420379 0.000175 LBFGSLineSearch: 23 01:45:34 64.420379 0.000006 Minimization converged after 23 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:42 78.799000 1.027047 LBFGSLineSearch: 1 01:45:42 78.724475 0.426782 LBFGSLineSearch: 2 01:45:43 78.721327 0.311951 LBFGSLineSearch: 3 01:45:43 78.718793 0.281311 LBFGSLineSearch: 4 01:45:44 78.717646 0.298174 LBFGSLineSearch: 5 01:45:44 78.715991 0.173369 LBFGSLineSearch: 6 01:45:44 78.714770 0.078699 LBFGSLineSearch: 7 01:45:45 78.714319 0.068697 LBFGSLineSearch: 8 01:45:46 78.714156 0.077593 LBFGSLineSearch: 9 01:45:46 78.713639 0.088372 LBFGSLineSearch: 10 01:45:47 78.713196 0.037262 LBFGSLineSearch: 11 01:45:47 78.713096 0.035595 LBFGSLineSearch: 12 01:45:48 78.712995 0.016414 LBFGSLineSearch: 13 01:45:48 78.712981 0.013203 LBFGSLineSearch: 14 01:45:49 78.712963 0.015793 LBFGSLineSearch: 15 01:45:49 78.712937 0.005424 LBFGSLineSearch: 16 01:45:50 78.712936 0.001501 LBFGSLineSearch: 17 01:45:51 78.712936 0.000122 LBFGSLineSearch: 18 01:45:52 78.712936 0.000267 LBFGSLineSearch: 19 01:45:52 78.712936 0.000034 LBFGSLineSearch: 20 01:45:53 78.712936 0.000000 Minimization converged after 20 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:59 94.661637 1.139193 LBFGSLineSearch: 1 01:45:59 94.575499 0.399219 LBFGSLineSearch: 2 01:46:00 94.572167 0.329914 LBFGSLineSearch: 3 01:46:00 94.569435 0.333313 LBFGSLineSearch: 4 01:46:01 94.567881 0.185813 LBFGSLineSearch: 5 01:46:02 94.566573 0.194008 LBFGSLineSearch: 6 01:46:03 94.565002 0.126951 LBFGSLineSearch: 7 01:46:04 94.563767 0.148089 LBFGSLineSearch: 8 01:46:05 94.562316 0.095798 LBFGSLineSearch: 9 01:46:06 94.560929 0.110872 LBFGSLineSearch: 10 01:46:07 94.559774 0.056803 LBFGSLineSearch: 11 01:46:08 94.559595 0.038667 LBFGSLineSearch: 12 01:46:09 94.559483 0.042639 LBFGSLineSearch: 13 01:46:10 94.559316 0.023138 LBFGSLineSearch: 14 01:46:11 94.559291 0.009484 LBFGSLineSearch: 15 01:46:13 94.559266 0.019576 LBFGSLineSearch: 16 01:46:14 94.559254 0.007255 LBFGSLineSearch: 17 01:46:15 94.559253 0.001388 LBFGSLineSearch: 18 01:46:17 94.559252 0.002905 LBFGSLineSearch: 19 01:46:18 94.559250 0.000529 LBFGSLineSearch: 20 01:46:20 94.559250 0.000129 LBFGSLineSearch: 21 01:46:21 94.559250 0.000000 Minimization converged after 21 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:28 112.230676 1.262245 LBFGSLineSearch: 1 01:46:29 112.129662 0.396442 LBFGSLineSearch: 2 01:46:29 112.125462 0.366065 LBFGSLineSearch: 3 01:46:30 112.120058 0.207373 LBFGSLineSearch: 4 01:46:31 112.118370 0.218049 LBFGSLineSearch: 5 01:46:31 112.114844 0.215491 LBFGSLineSearch: 6 01:46:31 112.110621 0.307927 LBFGSLineSearch: 7 01:46:32 112.106806 0.225093 LBFGSLineSearch: 8 01:46:32 112.100874 0.247577 LBFGSLineSearch: 9 01:46:33 112.094266 0.137193 LBFGSLineSearch: 10 01:46:33 112.092929 0.043433 LBFGSLineSearch: 11 01:46:34 112.092166 0.083342 LBFGSLineSearch: 12 01:46:34 112.084554 0.668542 LBFGSLineSearch: 13 01:46:36 112.084005 0.761754 LBFGSLineSearch: 14 01:46:37 112.075510 0.993250 LBFGSLineSearch: 15 01:46:37 112.050572 1.224615 LBFGSLineSearch: 16 01:46:37 111.967985 1.800673 LBFGSLineSearch: 17 01:46:38 111.907878 2.492986 LBFGSLineSearch: 18 01:46:38 111.777872 2.143320 LBFGSLineSearch: 19 01:46:39 111.516455 4.692392 LBFGSLineSearch: 20 01:46:39 111.391468 2.173706 LBFGSLineSearch: 21 01:46:39 111.225260 0.903591 LBFGSLineSearch: 22 01:46:40 111.069142 1.417478 LBFGSLineSearch: 23 01:46:40 111.011026 0.942333 LBFGSLineSearch: 24 01:46:41 110.974308 0.496087 LBFGSLineSearch: 25 01:46:41 110.965955 0.441601 LBFGSLineSearch: 26 01:46:42 110.959862 0.282205 LBFGSLineSearch: 27 01:46:43 110.954306 0.223637 LBFGSLineSearch: 28 01:46:43 110.949648 0.197194 LBFGSLineSearch: 29 01:46:44 110.947354 0.146577 LBFGSLineSearch: 30 01:46:44 110.946711 0.103745 LBFGSLineSearch: 31 01:46:45 110.946191 0.088653 LBFGSLineSearch: 32 01:46:46 110.945629 0.109140 LBFGSLineSearch: 33 01:46:46 110.944878 0.073628 LBFGSLineSearch: 34 01:46:47 110.944738 0.005140 LBFGSLineSearch: 35 01:46:47 110.944736 0.002725 LBFGSLineSearch: 36 01:46:48 110.944736 0.000609 LBFGSLineSearch: 37 01:46:49 110.944736 0.000043 LBFGSLineSearch: 38 01:46:49 110.944736 0.000011 LBFGSLineSearch: 39 01:46:49 110.944736 0.000001 Minimization converged after 39 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:56 129.716320 1.340828 LBFGSLineSearch: 1 01:46:56 129.594918 0.880858 LBFGSLineSearch: 2 01:46:58 129.584004 0.519855 LBFGSLineSearch: 3 01:47:01 129.565525 0.316469 LBFGSLineSearch: 4 01:47:02 129.556633 0.392588 LBFGSLineSearch: 5 01:47:03 129.550862 0.374553 LBFGSLineSearch: 6 01:47:03 129.544493 0.338525 LBFGSLineSearch: 7 01:47:04 129.540116 0.304261 LBFGSLineSearch: 8 01:47:04 129.537166 0.181512 LBFGSLineSearch: 9 01:47:05 129.534902 0.100459 LBFGSLineSearch: 10 01:47:06 129.533615 0.075804 LBFGSLineSearch: 11 01:47:06 129.533046 0.073328 LBFGSLineSearch: 12 01:47:07 129.532560 0.069468 LBFGSLineSearch: 13 01:47:07 129.531219 0.051212 LBFGSLineSearch: 14 01:47:07 129.531030 0.038066 LBFGSLineSearch: 15 01:47:08 129.530850 0.041824 LBFGSLineSearch: 16 01:47:09 129.529624 0.025868 LBFGSLineSearch: 17 01:47:09 129.529517 0.005298 LBFGSLineSearch: 18 01:47:10 129.529513 0.002170 LBFGSLineSearch: 19 01:47:11 129.529512 0.001167 LBFGSLineSearch: 20 01:47:11 129.529512 0.000977 LBFGSLineSearch: 21 01:47:11 129.529512 0.000480 LBFGSLineSearch: 22 01:47:12 129.529512 0.000093 LBFGSLineSearch: 23 01:47:12 129.529512 0.000021 LBFGSLineSearch: 24 01:47:13 129.529512 0.000001 Minimization converged after 24 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:20 150.127033 1.471252 LBFGSLineSearch: 1 01:47:21 149.992296 1.138425 LBFGSLineSearch: 2 01:47:22 149.970265 0.949128 LBFGSLineSearch: 3 01:47:23 149.935733 0.787788 LBFGSLineSearch: 4 01:47:23 149.925533 0.739603 LBFGSLineSearch: 5 01:47:23 149.918079 0.410410 LBFGSLineSearch: 6 01:47:24 149.915535 0.208133 LBFGSLineSearch: 7 01:47:24 149.914345 0.187990 LBFGSLineSearch: 8 01:47:24 149.912809 0.093768 LBFGSLineSearch: 9 01:47:25 149.911656 0.088491 LBFGSLineSearch: 10 01:47:25 149.910660 0.073977 LBFGSLineSearch: 11 01:47:26 149.909966 0.071035 LBFGSLineSearch: 12 01:47:26 149.909240 0.075473 LBFGSLineSearch: 13 01:47:26 149.907802 0.086362 LBFGSLineSearch: 14 01:47:27 149.907316 0.047632 LBFGSLineSearch: 15 01:47:27 149.907167 0.045532 LBFGSLineSearch: 16 01:47:27 149.906960 0.046724 LBFGSLineSearch: 17 01:47:28 149.906256 0.016747 LBFGSLineSearch: 18 01:47:28 149.906150 0.009158 LBFGSLineSearch: 19 01:47:29 149.906141 0.008392 LBFGSLineSearch: 20 01:47:29 149.906132 0.008167 LBFGSLineSearch: 21 01:47:30 149.906123 0.005348 LBFGSLineSearch: 22 01:47:30 149.906122 0.000229 LBFGSLineSearch: 23 01:47:30 149.906122 0.000031 LBFGSLineSearch: 24 01:47:31 149.906122 0.000006 Minimization converged after 24 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:39 172.558828 1.618050 LBFGSLineSearch: 1 01:47:40 172.409740 0.983355 LBFGSLineSearch: 2 01:47:40 172.391087 0.818418 LBFGSLineSearch: 3 01:47:41 172.367476 0.534780 LBFGSLineSearch: 4 01:47:42 172.361315 0.468049 LBFGSLineSearch: 5 01:47:43 172.356966 0.430339 LBFGSLineSearch: 6 01:47:44 172.350762 0.508621 LBFGSLineSearch: 7 01:47:45 172.337501 0.498328 LBFGSLineSearch: 8 01:47:45 172.284584 0.908601 LBFGSLineSearch: 9 01:47:46 172.258604 0.558819 LBFGSLineSearch: 10 01:47:46 172.252204 0.185402 LBFGSLineSearch: 11 01:47:46 172.251040 0.104492 LBFGSLineSearch: 12 01:47:47 172.249754 0.141910 LBFGSLineSearch: 13 01:47:48 172.248623 0.051639 LBFGSLineSearch: 14 01:47:49 172.248363 0.048228 LBFGSLineSearch: 15 01:47:49 172.248171 0.026957 LBFGSLineSearch: 16 01:47:49 172.248067 0.023677 LBFGSLineSearch: 17 01:47:51 172.248011 0.007208 LBFGSLineSearch: 18 01:47:52 172.248008 0.001453 LBFGSLineSearch: 19 01:47:53 172.248008 0.001148 LBFGSLineSearch: 20 01:47:53 172.248008 0.000780 LBFGSLineSearch: 21 01:47:53 172.248007 0.000166 LBFGSLineSearch: 22 01:47:54 172.248007 0.000042 LBFGSLineSearch: 23 01:47:54 172.248007 0.000000 Minimization converged after 23 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:01 197.052889 1.771777 LBFGSLineSearch: 1 01:48:02 196.892128 0.960796 LBFGSLineSearch: 2 01:48:02 196.875273 0.722302 LBFGSLineSearch: 3 01:48:03 196.863412 0.308718 LBFGSLineSearch: 4 01:48:04 196.860315 0.335426 LBFGSLineSearch: 5 01:48:04 196.854893 0.475085 LBFGSLineSearch: 6 01:48:05 196.849485 0.353054 LBFGSLineSearch: 7 01:48:05 196.840077 0.248078 LBFGSLineSearch: 8 01:48:05 196.834018 0.188747 LBFGSLineSearch: 9 01:48:06 196.829553 0.161960 LBFGSLineSearch: 10 01:48:06 196.826672 0.122642 LBFGSLineSearch: 11 01:48:07 196.825205 0.056984 LBFGSLineSearch: 12 01:48:07 196.824891 0.050254 LBFGSLineSearch: 13 01:48:08 196.824810 0.019381 LBFGSLineSearch: 14 01:48:08 196.824776 0.017659 LBFGSLineSearch: 15 01:48:09 196.824721 0.018667 LBFGSLineSearch: 16 01:48:09 196.824699 0.004266 LBFGSLineSearch: 17 01:48:10 196.824698 0.000360 LBFGSLineSearch: 18 01:48:10 196.824698 0.000095 LBFGSLineSearch: 19 01:48:12 196.824698 0.000087 LBFGSLineSearch: 20 01:48:13 196.824698 0.000051 LBFGSLineSearch: 21 01:48:13 196.824698 0.000002 Minimization converged after 21 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:20 224.171341 1.953332 LBFGSLineSearch: 1 01:48:20 223.989628 0.979228 LBFGSLineSearch: 2 01:48:21 223.970594 0.845484 LBFGSLineSearch: 3 01:48:21 223.959517 0.544445 LBFGSLineSearch: 4 01:48:22 223.954676 0.411830 LBFGSLineSearch: 5 01:48:22 223.948359 0.559407 LBFGSLineSearch: 6 01:48:23 223.939226 0.449227 LBFGSLineSearch: 7 01:48:23 223.927351 0.427656 LBFGSLineSearch: 8 01:48:24 223.920997 0.366506 LBFGSLineSearch: 9 01:48:25 223.917531 0.188661 LBFGSLineSearch: 10 01:48:25 223.913780 0.310638 LBFGSLineSearch: 11 01:48:26 223.909908 0.062750 LBFGSLineSearch: 12 01:48:26 223.909769 0.023377 LBFGSLineSearch: 13 01:48:27 223.909728 0.024629 LBFGSLineSearch: 14 01:48:27 223.909692 0.026242 LBFGSLineSearch: 15 01:48:28 223.909644 0.007942 LBFGSLineSearch: 16 01:48:28 223.909639 0.006951 LBFGSLineSearch: 17 01:48:29 223.909636 0.003597 LBFGSLineSearch: 18 01:48:30 223.909633 0.005814 LBFGSLineSearch: 19 01:48:31 223.909631 0.000325 LBFGSLineSearch: 20 01:48:31 223.909631 0.000037 LBFGSLineSearch: 21 01:48:32 223.909631 0.000001 Minimization converged after 21 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:40 253.990852 2.148659 LBFGSLineSearch: 1 01:48:40 253.781180 0.801677 LBFGSLineSearch: 2 01:48:41 253.749680 0.774957 LBFGSLineSearch: 3 01:48:41 253.738474 0.918757 LBFGSLineSearch: 4 01:48:42 253.719741 0.622849 LBFGSLineSearch: 5 01:48:43 250.700251 46.752445 Failed to get energy or crystal structure at pressure 574.7005687343986 GPa. Exception: KimpyError('Calling kimpy function "compute" failed:\n the model does not provide an Extension routine! or\nthe model\'s Extension routine returns error!') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:44 -63.371233 0.000956 LBFGSLineSearch: 1 01:48:44 -63.371233 0.000744 LBFGSLineSearch: 2 01:48:46 -63.371233 0.001429 LBFGSLineSearch: 3 01:48:47 -63.371233 0.001363 LBFGSLineSearch: 4 01:48:47 -63.371233 0.000314 LBFGSLineSearch: 5 01:48:47 -63.371233 0.000222 LBFGSLineSearch: 6 01:48:48 -63.371233 0.000189 LBFGSLineSearch: 7 01:48:48 -63.371233 0.000062 LBFGSLineSearch: 8 01:48:49 -63.371233 0.000029 LBFGSLineSearch: 9 01:48:49 -63.371233 0.000023 LBFGSLineSearch: 10 01:48:49 -63.371233 0.000033 LBFGSLineSearch: 11 01:48:50 -63.371233 0.000010 Minimization converged after 11 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:57 -63.789704 0.029897 LBFGSLineSearch: 1 01:48:58 -63.789716 0.047137 LBFGSLineSearch: 2 01:48:58 -63.789734 0.079631 LBFGSLineSearch: 3 01:48:58 -63.789768 0.022320 LBFGSLineSearch: 4 01:48:59 -63.789770 0.009209 LBFGSLineSearch: 5 01:49:00 -63.789770 0.007360 LBFGSLineSearch: 6 01:49:00 -63.789774 0.003558 LBFGSLineSearch: 7 01:49:01 -63.789775 0.010517 LBFGSLineSearch: 8 01:49:02 -63.789777 0.003396 LBFGSLineSearch: 9 01:49:02 -63.789779 0.002437 LBFGSLineSearch: 10 01:49:03 -63.789780 0.001261 LBFGSLineSearch: 11 01:49:04 -63.789781 0.000962 LBFGSLineSearch: 12 01:49:04 -63.789781 0.000589 LBFGSLineSearch: 13 01:49:05 -63.789781 0.000374 LBFGSLineSearch: 14 01:49:05 -63.789781 0.000243 LBFGSLineSearch: 15 01:49:06 -63.789781 0.000208 LBFGSLineSearch: 16 01:49:06 -63.789781 0.000214 LBFGSLineSearch: 17 01:49:07 -63.789781 0.000040 LBFGSLineSearch: 18 01:49:07 -63.789781 0.000023 LBFGSLineSearch: 19 01:49:08 -63.789781 0.000017 LBFGSLineSearch: 20 01:49:09 -63.789781 0.000004 Minimization converged after 20 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:16 -64.208405 0.029901 LBFGSLineSearch: 1 01:49:16 -64.208417 0.047632 LBFGSLineSearch: 2 01:49:17 -64.208435 0.081895 LBFGSLineSearch: 3 01:49:18 -64.208469 0.021768 LBFGSLineSearch: 4 01:49:18 -64.208471 0.008724 LBFGSLineSearch: 5 01:49:19 -64.208471 0.008015 LBFGSLineSearch: 6 01:49:19 -64.208476 0.004239 LBFGSLineSearch: 7 01:49:20 -64.208476 0.008026 LBFGSLineSearch: 8 01:49:20 -64.208479 0.004049 LBFGSLineSearch: 9 01:49:20 -64.208480 0.002367 LBFGSLineSearch: 10 01:49:21 -64.208481 0.001460 LBFGSLineSearch: 11 01:49:21 -64.208481 0.001389 LBFGSLineSearch: 12 01:49:22 -64.208482 0.000640 LBFGSLineSearch: 13 01:49:22 -64.208482 0.000223 LBFGSLineSearch: 14 01:49:23 -64.208482 0.000404 LBFGSLineSearch: 15 01:49:23 -64.208482 0.000353 LBFGSLineSearch: 16 01:49:24 -64.208482 0.000092 LBFGSLineSearch: 17 01:49:24 -64.208482 0.000048 LBFGSLineSearch: 18 01:49:25 -64.208482 0.000017 LBFGSLineSearch: 19 01:49:25 -64.208482 0.000026 LBFGSLineSearch: 20 01:49:26 -64.208482 0.000000 Minimization converged after 20 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:33 -64.627259 0.029913 LBFGSLineSearch: 1 01:49:33 -64.627271 0.048304 LBFGSLineSearch: 2 01:49:34 -64.627289 0.083999 LBFGSLineSearch: 3 01:49:35 -64.627324 0.023272 LBFGSLineSearch: 4 01:49:36 -64.627325 0.008337 LBFGSLineSearch: 5 01:49:36 -64.627325 0.008934 LBFGSLineSearch: 6 01:49:36 -64.627330 0.007305 LBFGSLineSearch: 7 01:49:37 -64.627330 0.005428 LBFGSLineSearch: 8 01:49:37 -64.627334 0.005154 LBFGSLineSearch: 9 01:49:37 -64.627334 0.002851 LBFGSLineSearch: 10 01:49:38 -64.627335 0.002706 LBFGSLineSearch: 11 01:49:38 -64.627335 0.002497 LBFGSLineSearch: 12 01:49:39 -64.627335 0.001362 LBFGSLineSearch: 13 01:49:39 -64.627336 0.001100 LBFGSLineSearch: 14 01:49:39 -64.627336 0.000590 LBFGSLineSearch: 15 01:49:40 -64.627336 0.000432 LBFGSLineSearch: 16 01:49:40 -64.627336 0.000260 LBFGSLineSearch: 17 01:49:40 -64.627336 0.000201 LBFGSLineSearch: 18 01:49:40 -64.627336 0.000022 LBFGSLineSearch: 19 01:49:41 -64.627336 0.000016 LBFGSLineSearch: 20 01:49:41 -64.627336 0.000078 LBFGSLineSearch: 21 01:49:41 -64.627336 0.000012 LBFGSLineSearch: 22 01:49:41 -64.627336 0.000000 Minimization converged after 22 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:49 -65.046267 0.029924 LBFGSLineSearch: 1 01:49:49 -65.046278 0.049118 LBFGSLineSearch: 2 01:49:50 -65.046297 0.085726 LBFGSLineSearch: 3 01:49:51 -65.046331 0.023866 LBFGSLineSearch: 4 01:49:52 -65.046332 0.007821 LBFGSLineSearch: 5 01:49:53 -65.046333 0.009381 LBFGSLineSearch: 6 01:49:53 -65.046337 0.009520 LBFGSLineSearch: 7 01:49:54 -65.046337 0.006499 LBFGSLineSearch: 8 01:49:54 -65.046340 0.005568 LBFGSLineSearch: 9 01:49:54 -65.046342 0.002026 LBFGSLineSearch: 10 01:49:55 -65.046343 0.001267 LBFGSLineSearch: 11 01:49:55 -65.046343 0.001014 LBFGSLineSearch: 12 01:49:56 -65.046343 0.000562 LBFGSLineSearch: 13 01:49:56 -65.046343 0.000515 LBFGSLineSearch: 14 01:49:57 -65.046343 0.000350 LBFGSLineSearch: 15 01:49:57 -65.046343 0.000207 LBFGSLineSearch: 16 01:49:58 -65.046343 0.000194 LBFGSLineSearch: 17 01:49:58 -65.046343 0.000274 LBFGSLineSearch: 18 01:49:58 -65.046343 0.000044 LBFGSLineSearch: 19 01:49:59 -65.046343 0.000019 LBFGSLineSearch: 20 01:49:59 -65.046343 0.000019 LBFGSLineSearch: 21 01:49:59 -65.046343 0.000001 Minimization converged after 21 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:06 -65.465427 0.029935 LBFGSLineSearch: 1 01:50:07 -65.465439 0.049191 LBFGSLineSearch: 2 01:50:08 -65.465457 0.085808 LBFGSLineSearch: 3 01:50:08 -65.465492 0.024008 LBFGSLineSearch: 4 01:50:09 -65.465493 0.007748 LBFGSLineSearch: 5 01:50:09 -65.465493 0.009279 LBFGSLineSearch: 6 01:50:10 -65.465498 0.009524 LBFGSLineSearch: 7 01:50:12 -65.465498 0.006775 LBFGSLineSearch: 8 01:50:12 -65.465501 0.005671 LBFGSLineSearch: 9 01:50:14 -65.465503 0.002057 LBFGSLineSearch: 10 01:50:16 -65.465503 0.001219 LBFGSLineSearch: 11 01:50:16 -65.465504 0.001142 LBFGSLineSearch: 12 01:50:17 -65.465504 0.000552 LBFGSLineSearch: 13 01:50:17 -65.465504 0.000537 LBFGSLineSearch: 14 01:50:18 -65.465504 0.000389 LBFGSLineSearch: 15 01:50:18 -65.465504 0.000208 LBFGSLineSearch: 16 01:50:19 -65.465504 0.000191 LBFGSLineSearch: 17 01:50:19 -65.465504 0.000321 LBFGSLineSearch: 18 01:50:19 -65.465504 0.000053 LBFGSLineSearch: 19 01:50:20 -65.465504 0.000019 LBFGSLineSearch: 20 01:50:20 -65.465504 0.000020 LBFGSLineSearch: 21 01:50:20 -65.465504 0.000001 Minimization converged after 21 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:27 -65.884741 0.029947 LBFGSLineSearch: 1 01:50:27 -65.884753 0.049154 LBFGSLineSearch: 2 01:50:27 -65.884771 0.085740 LBFGSLineSearch: 3 01:50:28 -65.884806 0.024103 LBFGSLineSearch: 4 01:50:28 -65.884807 0.007791 LBFGSLineSearch: 5 01:50:29 -65.884807 0.009273 LBFGSLineSearch: 6 01:50:29 -65.884811 0.009485 LBFGSLineSearch: 7 01:50:30 -65.884812 0.006633 LBFGSLineSearch: 8 01:50:30 -65.884815 0.005612 LBFGSLineSearch: 9 01:50:31 -65.884816 0.002038 LBFGSLineSearch: 10 01:50:31 -65.884817 0.001227 LBFGSLineSearch: 11 01:50:32 -65.884817 0.001100 LBFGSLineSearch: 12 01:50:33 -65.884817 0.000536 LBFGSLineSearch: 13 01:50:33 -65.884817 0.000538 LBFGSLineSearch: 14 01:50:33 -65.884818 0.000382 LBFGSLineSearch: 15 01:50:34 -65.884818 0.000211 LBFGSLineSearch: 16 01:50:34 -65.884818 0.000192 LBFGSLineSearch: 17 01:50:34 -65.884818 0.000316 LBFGSLineSearch: 18 01:50:35 -65.884818 0.000051 LBFGSLineSearch: 19 01:50:35 -65.884818 0.000019 LBFGSLineSearch: 20 01:50:36 -65.884818 0.000020 LBFGSLineSearch: 21 01:50:37 -65.884818 0.000001 Minimization converged after 21 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:43 -66.304208 0.029957 LBFGSLineSearch: 1 01:50:44 -66.304220 0.049098 LBFGSLineSearch: 2 01:50:44 -66.304238 0.085790 LBFGSLineSearch: 3 01:50:44 -66.304273 0.024132 LBFGSLineSearch: 4 01:50:45 -66.304274 0.007844 LBFGSLineSearch: 5 01:50:45 -66.304275 0.009205 LBFGSLineSearch: 6 01:50:45 -66.304279 0.009518 LBFGSLineSearch: 7 01:50:46 -66.304279 0.006463 LBFGSLineSearch: 8 01:50:47 -66.304282 0.005536 LBFGSLineSearch: 9 01:50:47 -66.304284 0.002020 LBFGSLineSearch: 10 01:50:48 -66.304284 0.001231 LBFGSLineSearch: 11 01:50:48 -66.304284 0.001070 LBFGSLineSearch: 12 01:50:49 -66.304285 0.000736 LBFGSLineSearch: 13 01:50:50 -66.304285 0.000306 LBFGSLineSearch: 14 01:50:51 -66.304285 0.000431 LBFGSLineSearch: 15 01:50:51 -66.304285 0.000037 LBFGSLineSearch: 16 01:50:52 -66.304285 0.000022 LBFGSLineSearch: 17 01:50:53 -66.304285 0.000065 LBFGSLineSearch: 18 01:50:53 -66.304285 0.000000 Minimization converged after 18 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:01 -66.723828 0.029968 LBFGSLineSearch: 1 01:51:01 -66.723840 0.049044 LBFGSLineSearch: 2 01:51:01 -66.723859 0.085802 LBFGSLineSearch: 3 01:51:01 -66.723893 0.024175 LBFGSLineSearch: 4 01:51:02 -66.723895 0.007895 LBFGSLineSearch: 5 01:51:02 -66.723895 0.009151 LBFGSLineSearch: 6 01:51:03 -66.723899 0.009710 LBFGSLineSearch: 7 01:51:03 -66.723900 0.006334 LBFGSLineSearch: 8 01:51:04 -66.723902 0.005459 LBFGSLineSearch: 9 01:51:04 -66.723904 0.002003 LBFGSLineSearch: 10 01:51:04 -66.723905 0.001237 LBFGSLineSearch: 11 01:51:04 -66.723905 0.001029 LBFGSLineSearch: 12 01:51:05 -66.723905 0.000765 LBFGSLineSearch: 13 01:51:05 -66.723905 0.000295 LBFGSLineSearch: 14 01:51:05 -66.723905 0.000639 LBFGSLineSearch: 15 01:51:06 -66.723905 0.000193 LBFGSLineSearch: 16 01:51:07 -66.723905 0.000175 LBFGSLineSearch: 17 01:51:07 -66.723905 0.000034 LBFGSLineSearch: 18 01:51:08 -66.723905 0.000030 LBFGSLineSearch: 19 01:51:08 -66.723905 0.000018 LBFGSLineSearch: 20 01:51:09 -66.723905 0.000032 LBFGSLineSearch: 21 01:51:09 -66.723905 0.000000 Minimization converged after 21 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:18 -67.143602 0.029978 LBFGSLineSearch: 1 01:51:18 -67.143614 0.048998 LBFGSLineSearch: 2 01:51:19 -67.143633 0.085768 LBFGSLineSearch: 3 01:51:19 -67.143667 0.024253 LBFGSLineSearch: 4 01:51:20 -67.143669 0.007941 LBFGSLineSearch: 5 01:51:21 -67.143669 0.009089 LBFGSLineSearch: 6 01:51:21 -67.143673 0.009921 LBFGSLineSearch: 7 01:51:22 -67.143674 0.006202 LBFGSLineSearch: 8 01:51:23 -67.143676 0.005407 LBFGSLineSearch: 9 01:51:24 -67.143678 0.001988 LBFGSLineSearch: 10 01:51:24 -67.143679 0.001233 LBFGSLineSearch: 11 01:51:25 -67.143679 0.001019 LBFGSLineSearch: 12 01:51:25 -67.143679 0.000793 LBFGSLineSearch: 13 01:51:26 -67.143679 0.000292 LBFGSLineSearch: 14 01:51:26 -67.143679 0.000624 LBFGSLineSearch: 15 01:51:27 -67.143679 0.000379 LBFGSLineSearch: 16 01:51:27 -67.143679 0.000093 LBFGSLineSearch: 17 01:51:28 -67.143679 0.000020 LBFGSLineSearch: 18 01:51:28 -67.143679 0.000020 LBFGSLineSearch: 19 01:51:29 -67.143679 0.000004 Minimization converged after 19 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:36 -67.563530 0.029992 LBFGSLineSearch: 1 01:51:37 -67.563542 0.049011 LBFGSLineSearch: 2 01:51:39 -67.563560 0.085396 LBFGSLineSearch: 3 01:51:40 -67.563595 0.024533 LBFGSLineSearch: 4 01:51:41 -67.563596 0.007978 LBFGSLineSearch: 5 01:51:42 -67.563597 0.009005 LBFGSLineSearch: 6 01:51:43 -67.563601 0.010164 LBFGSLineSearch: 7 01:51:43 -67.563601 0.006066 LBFGSLineSearch: 8 01:51:44 -67.563604 0.005358 LBFGSLineSearch: 9 01:51:44 -67.563606 0.001974 LBFGSLineSearch: 10 01:51:45 -67.563606 0.001229 LBFGSLineSearch: 11 01:51:45 -67.563607 0.001012 LBFGSLineSearch: 12 01:51:45 -67.563607 0.000825 LBFGSLineSearch: 13 01:51:45 -67.563607 0.000288 LBFGSLineSearch: 14 01:51:46 -67.563607 0.000603 LBFGSLineSearch: 15 01:51:46 -67.563607 0.000154 LBFGSLineSearch: 16 01:51:46 -67.563607 0.000020 LBFGSLineSearch: 17 01:51:47 -67.563607 0.000020 LBFGSLineSearch: 18 01:51:47 -67.563607 0.000008 Minimization converged after 18 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:54 -67.983611 0.030003 LBFGSLineSearch: 1 01:51:54 -67.983623 0.049006 LBFGSLineSearch: 2 01:51:55 -67.983641 0.085117 LBFGSLineSearch: 3 01:51:55 -67.983676 0.024756 LBFGSLineSearch: 4 01:51:56 -67.983677 0.008008 LBFGSLineSearch: 5 01:51:58 -67.983678 0.009006 LBFGSLineSearch: 6 01:51:59 -67.983682 0.010457 LBFGSLineSearch: 7 01:52:00 -67.983683 0.006083 LBFGSLineSearch: 8 01:52:01 -67.983685 0.005287 LBFGSLineSearch: 9 01:52:02 -67.983687 0.001984 LBFGSLineSearch: 10 01:52:03 -67.983688 0.001228 LBFGSLineSearch: 11 01:52:04 -67.983688 0.000978 LBFGSLineSearch: 12 01:52:04 -67.983688 0.000900 LBFGSLineSearch: 13 01:52:05 -67.983688 0.000279 LBFGSLineSearch: 14 01:52:06 -67.983688 0.000560 LBFGSLineSearch: 15 01:52:07 -67.983688 0.000413 LBFGSLineSearch: 16 01:52:07 -67.983688 0.000020 LBFGSLineSearch: 17 01:52:09 -67.983688 0.000019 LBFGSLineSearch: 18 01:52:11 -67.983688 0.000011 LBFGSLineSearch: 19 01:52:12 -67.983688 0.000000 Minimization converged after 19 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:19 -68.403846 0.030011 LBFGSLineSearch: 1 01:52:20 -68.403858 0.048862 LBFGSLineSearch: 2 01:52:20 -68.403876 0.085631 LBFGSLineSearch: 3 01:52:21 -68.403911 0.024423 LBFGSLineSearch: 4 01:52:21 -68.403912 0.008037 LBFGSLineSearch: 5 01:52:22 -68.403913 0.009237 LBFGSLineSearch: 6 01:52:22 -68.403917 0.010506 LBFGSLineSearch: 7 01:52:23 -68.403918 0.006436 LBFGSLineSearch: 8 01:52:23 -68.403920 0.003240 LBFGSLineSearch: 9 01:52:24 -68.403921 0.003258 LBFGSLineSearch: 10 01:52:24 -68.403922 0.002591 LBFGSLineSearch: 11 01:52:24 -68.403922 0.001764 LBFGSLineSearch: 12 01:52:25 -68.403923 0.001121 LBFGSLineSearch: 13 01:52:25 -68.403923 0.000809 LBFGSLineSearch: 14 01:52:26 -68.403923 0.000856 LBFGSLineSearch: 15 01:52:26 -68.403923 0.000658 LBFGSLineSearch: 16 01:52:26 -68.403923 0.000515 LBFGSLineSearch: 17 01:52:27 -68.403923 0.000370 LBFGSLineSearch: 18 01:52:27 -68.403923 0.000217 LBFGSLineSearch: 19 01:52:27 -68.403923 0.000272 LBFGSLineSearch: 20 01:52:28 -68.403923 0.000229 LBFGSLineSearch: 21 01:52:28 -68.403923 0.000191 LBFGSLineSearch: 22 01:52:29 -68.403923 0.000083 LBFGSLineSearch: 23 01:52:29 -68.403923 0.000035 LBFGSLineSearch: 24 01:52:29 -68.403923 0.000019 LBFGSLineSearch: 25 01:52:30 -68.403923 0.000021 LBFGSLineSearch: 26 01:52:30 -68.403923 0.000012 LBFGSLineSearch: 27 01:52:32 -68.403923 0.000004 Minimization converged after 27 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:38 -68.824235 0.030023 LBFGSLineSearch: 1 01:52:39 -68.824247 0.048815 LBFGSLineSearch: 2 01:52:39 -68.824265 0.085644 LBFGSLineSearch: 3 01:52:40 -68.824300 0.024471 LBFGSLineSearch: 4 01:52:40 -68.824301 0.008038 LBFGSLineSearch: 5 01:52:41 -68.824302 0.009313 LBFGSLineSearch: 6 01:52:42 -68.824306 0.010673 LBFGSLineSearch: 7 01:52:43 -68.824307 0.006514 LBFGSLineSearch: 8 01:52:45 -68.824309 0.003300 LBFGSLineSearch: 9 01:52:46 -68.824310 0.003176 LBFGSLineSearch: 10 01:52:47 -68.824311 0.002533 LBFGSLineSearch: 11 01:52:49 -68.824311 0.001302 LBFGSLineSearch: 12 01:52:50 -68.824312 0.000889 LBFGSLineSearch: 13 01:52:51 -68.824312 0.000904 LBFGSLineSearch: 14 01:52:51 -68.824312 0.000407 LBFGSLineSearch: 15 01:52:51 -68.824312 0.000213 LBFGSLineSearch: 16 01:52:53 -68.824312 0.000825 LBFGSLineSearch: 17 01:52:54 -68.824312 0.000022 LBFGSLineSearch: 18 01:52:54 -68.824312 0.000018 LBFGSLineSearch: 19 01:52:54 -68.824312 0.000066 LBFGSLineSearch: 20 01:52:55 -68.824312 0.000001 Minimization converged after 20 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:02 -69.244778 0.030033 LBFGSLineSearch: 1 01:53:02 -69.244790 0.048780 LBFGSLineSearch: 2 01:53:03 -69.244808 0.085645 LBFGSLineSearch: 3 01:53:03 -69.244844 0.024595 LBFGSLineSearch: 4 01:53:04 -69.244845 0.008067 LBFGSLineSearch: 5 01:53:05 -69.244845 0.009275 LBFGSLineSearch: 6 01:53:05 -69.244849 0.010636 LBFGSLineSearch: 7 01:53:05 -69.244850 0.006247 LBFGSLineSearch: 8 01:53:06 -69.244852 0.003212 LBFGSLineSearch: 9 01:53:06 -69.244853 0.003174 LBFGSLineSearch: 10 01:53:07 -69.244854 0.002533 LBFGSLineSearch: 11 01:53:07 -69.244854 0.001732 LBFGSLineSearch: 12 01:53:07 -69.244855 0.001067 LBFGSLineSearch: 13 01:53:08 -69.244855 0.000772 LBFGSLineSearch: 14 01:53:08 -69.244855 0.000833 LBFGSLineSearch: 15 01:53:09 -69.244855 0.000648 LBFGSLineSearch: 16 01:53:09 -69.244855 0.000505 LBFGSLineSearch: 17 01:53:09 -69.244855 0.000370 LBFGSLineSearch: 18 01:53:10 -69.244855 0.000214 LBFGSLineSearch: 19 01:53:10 -69.244855 0.000304 LBFGSLineSearch: 20 01:53:10 -69.244855 0.000171 LBFGSLineSearch: 21 01:53:11 -69.244855 0.000241 LBFGSLineSearch: 22 01:53:11 -69.244855 0.000102 LBFGSLineSearch: 23 01:53:12 -69.244855 0.000022 LBFGSLineSearch: 24 01:53:12 -69.244855 0.000014 LBFGSLineSearch: 25 01:53:13 -69.244855 0.000015 LBFGSLineSearch: 26 01:53:14 -69.244855 0.000008 Minimization converged after 26 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:21 -69.665476 0.030045 LBFGSLineSearch: 1 01:53:21 -69.665488 0.048710 LBFGSLineSearch: 2 01:53:22 -69.665506 0.085893 LBFGSLineSearch: 3 01:53:22 -69.665541 0.024602 LBFGSLineSearch: 4 01:53:23 -69.665542 0.008019 LBFGSLineSearch: 5 01:53:23 -69.665543 0.009316 LBFGSLineSearch: 6 01:53:24 -69.665547 0.010958 LBFGSLineSearch: 7 01:53:25 -69.665548 0.006398 LBFGSLineSearch: 8 01:53:27 -69.665550 0.003324 LBFGSLineSearch: 9 01:53:28 -69.665551 0.003078 LBFGSLineSearch: 10 01:53:29 -69.665552 0.002463 LBFGSLineSearch: 11 01:53:29 -69.665552 0.001240 LBFGSLineSearch: 12 01:53:30 -69.665553 0.000851 LBFGSLineSearch: 13 01:53:30 -69.665553 0.000865 LBFGSLineSearch: 14 01:53:31 -69.665553 0.000422 LBFGSLineSearch: 15 01:53:31 -69.665553 0.000220 LBFGSLineSearch: 16 01:53:32 -69.665553 0.000792 LBFGSLineSearch: 17 01:53:33 -69.665553 0.000026 LBFGSLineSearch: 18 01:53:33 -69.665553 0.000017 LBFGSLineSearch: 19 01:53:33 -69.665553 0.000042 LBFGSLineSearch: 20 01:53:34 -69.665553 0.000000 Minimization converged after 20 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:40 -70.086328 0.030055 LBFGSLineSearch: 1 01:53:40 -70.086340 0.048696 LBFGSLineSearch: 2 01:53:41 -70.086359 0.085876 LBFGSLineSearch: 3 01:53:42 -70.086394 0.024693 LBFGSLineSearch: 4 01:53:42 -70.086395 0.008122 LBFGSLineSearch: 5 01:53:43 -70.086395 0.009197 LBFGSLineSearch: 6 01:53:43 -70.086400 0.010442 LBFGSLineSearch: 7 01:53:44 -70.086400 0.005768 LBFGSLineSearch: 8 01:53:44 -70.086403 0.004976 LBFGSLineSearch: 9 01:53:45 -70.086404 0.001915 LBFGSLineSearch: 10 01:53:46 -70.086405 0.001218 LBFGSLineSearch: 11 01:53:46 -70.086405 0.000881 LBFGSLineSearch: 12 01:53:47 -70.086405 0.001111 LBFGSLineSearch: 13 01:53:48 -70.086405 0.000263 LBFGSLineSearch: 14 01:53:48 -70.086405 0.000782 LBFGSLineSearch: 15 01:53:49 -70.086405 0.000335 LBFGSLineSearch: 16 01:53:49 -70.086405 0.000108 LBFGSLineSearch: 17 01:53:50 -70.086405 0.000031 LBFGSLineSearch: 18 01:53:50 -70.086405 0.000017 LBFGSLineSearch: 19 01:53:51 -70.086405 0.000001 Minimization converged after 19 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:58 -70.507335 0.030067 LBFGSLineSearch: 1 01:53:59 -70.507348 0.048657 LBFGSLineSearch: 2 01:53:59 -70.507366 0.086094 LBFGSLineSearch: 3 01:53:59 -70.507401 0.024660 LBFGSLineSearch: 4 01:54:00 -70.507403 0.008158 LBFGSLineSearch: 5 01:54:00 -70.507403 0.009147 LBFGSLineSearch: 6 01:54:00 -70.507408 0.010190 LBFGSLineSearch: 7 01:54:01 -70.507408 0.005519 LBFGSLineSearch: 8 01:54:02 -70.507411 0.004959 LBFGSLineSearch: 9 01:54:03 -70.507412 0.001852 LBFGSLineSearch: 10 01:54:03 -70.507413 0.001221 LBFGSLineSearch: 11 01:54:04 -70.507413 0.000862 LBFGSLineSearch: 12 01:54:04 -70.507413 0.001149 LBFGSLineSearch: 13 01:54:05 -70.507413 0.000262 LBFGSLineSearch: 14 01:54:05 -70.507413 0.000743 LBFGSLineSearch: 15 01:54:05 -70.507413 0.000256 LBFGSLineSearch: 16 01:54:06 -70.507413 0.000057 LBFGSLineSearch: 17 01:54:07 -70.507413 0.000018 LBFGSLineSearch: 18 01:54:08 -70.507413 0.000002 Minimization converged after 18 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:16 -70.928498 0.030079 LBFGSLineSearch: 1 01:54:16 -70.928511 0.048638 LBFGSLineSearch: 2 01:54:17 -70.928529 0.086295 LBFGSLineSearch: 3 01:54:18 -70.928565 0.024653 LBFGSLineSearch: 4 01:54:19 -70.928566 0.008188 LBFGSLineSearch: 5 01:54:20 -70.928566 0.009094 LBFGSLineSearch: 6 01:54:21 -70.928571 0.010129 LBFGSLineSearch: 7 01:54:22 -70.928571 0.005285 LBFGSLineSearch: 8 01:54:22 -70.928574 0.004880 LBFGSLineSearch: 9 01:54:23 -70.928575 0.001790 LBFGSLineSearch: 10 01:54:24 -70.928576 0.001237 LBFGSLineSearch: 11 01:54:24 -70.928576 0.000788 LBFGSLineSearch: 12 01:54:24 -70.928576 0.001247 LBFGSLineSearch: 13 01:54:25 -70.928576 0.000258 LBFGSLineSearch: 14 01:54:25 -70.928576 0.000690 LBFGSLineSearch: 15 01:54:25 -70.928576 0.000081 LBFGSLineSearch: 16 01:54:25 -70.928576 0.000096 LBFGSLineSearch: 17 01:54:26 -70.928576 0.000019 LBFGSLineSearch: 18 01:54:26 -70.928576 0.000000 Minimization converged after 18 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:33 -71.349817 0.030089 LBFGSLineSearch: 1 01:54:33 -71.349830 0.048571 LBFGSLineSearch: 2 01:54:34 -71.349848 0.086473 LBFGSLineSearch: 3 01:54:34 -71.349883 0.024625 LBFGSLineSearch: 4 01:54:36 -71.349885 0.008230 LBFGSLineSearch: 5 01:54:39 -71.349885 0.009065 LBFGSLineSearch: 6 01:54:39 -71.349890 0.010008 LBFGSLineSearch: 7 01:54:41 -71.349890 0.005074 LBFGSLineSearch: 8 01:54:41 -71.349893 0.004844 LBFGSLineSearch: 9 01:54:42 -71.349894 0.001724 LBFGSLineSearch: 10 01:54:42 -71.349895 0.001243 LBFGSLineSearch: 11 01:54:43 -71.349895 0.000751 LBFGSLineSearch: 12 01:54:43 -71.349895 0.001315 LBFGSLineSearch: 13 01:54:43 -71.349895 0.000255 LBFGSLineSearch: 14 01:54:43 -71.349895 0.000594 LBFGSLineSearch: 15 01:54:43 -71.349895 0.000172 LBFGSLineSearch: 16 01:54:43 -71.349895 0.000083 LBFGSLineSearch: 17 01:54:44 -71.349895 0.000017 LBFGSLineSearch: 18 01:54:44 -71.349895 0.000001 Minimization converged after 18 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:51 -71.771292 0.030100 LBFGSLineSearch: 1 01:54:51 -71.771304 0.048516 LBFGSLineSearch: 2 01:54:52 -71.771323 0.086601 LBFGSLineSearch: 3 01:54:52 -71.771358 0.024646 LBFGSLineSearch: 4 01:54:53 -71.771360 0.008252 LBFGSLineSearch: 5 01:54:53 -71.771360 0.009042 LBFGSLineSearch: 6 01:54:54 -71.771365 0.009963 LBFGSLineSearch: 7 01:54:55 -71.771365 0.004918 LBFGSLineSearch: 8 01:54:56 -71.771368 0.004909 LBFGSLineSearch: 9 01:54:56 -71.771369 0.001672 LBFGSLineSearch: 10 01:54:57 -71.771370 0.001245 LBFGSLineSearch: 11 01:54:58 -71.771370 0.000728 LBFGSLineSearch: 12 01:54:58 -71.771370 0.001373 LBFGSLineSearch: 13 01:54:59 -71.771370 0.000253 LBFGSLineSearch: 14 01:55:00 -71.771370 0.000485 LBFGSLineSearch: 15 01:55:00 -71.771370 0.000260 LBFGSLineSearch: 16 01:55:01 -71.771370 0.000062 LBFGSLineSearch: 17 01:55:01 -71.771370 0.000017 LBFGSLineSearch: 18 01:55:02 -71.771370 0.000001 Minimization converged after 18 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:08 -72.192923 0.030111 LBFGSLineSearch: 1 01:55:09 -72.192936 0.048484 LBFGSLineSearch: 2 01:55:09 -72.192955 0.086649 LBFGSLineSearch: 3 01:55:10 -72.192990 0.024713 LBFGSLineSearch: 4 01:55:10 -72.192991 0.008271 LBFGSLineSearch: 5 01:55:11 -72.192992 0.009017 LBFGSLineSearch: 6 01:55:12 -72.192996 0.009948 LBFGSLineSearch: 7 01:55:13 -72.192997 0.004773 LBFGSLineSearch: 8 01:55:15 -72.193000 0.004955 LBFGSLineSearch: 9 01:55:15 -72.193000 0.002924 LBFGSLineSearch: 10 01:55:16 -72.193001 0.001414 LBFGSLineSearch: 11 01:55:17 -72.193001 0.001377 LBFGSLineSearch: 12 01:55:17 -72.193001 0.001288 LBFGSLineSearch: 13 01:55:18 -72.193001 0.000433 LBFGSLineSearch: 14 01:55:18 -72.193002 0.000452 LBFGSLineSearch: 15 01:55:19 -72.193002 0.000235 LBFGSLineSearch: 16 01:55:19 -72.193002 0.000212 LBFGSLineSearch: 17 01:55:20 -72.193002 0.000170 LBFGSLineSearch: 18 01:55:22 -72.193002 0.000055 LBFGSLineSearch: 19 01:55:22 -72.193002 0.000029 LBFGSLineSearch: 20 01:55:23 -72.193002 0.000015 LBFGSLineSearch: 21 01:55:23 -72.193002 0.000002 Minimization converged after 21 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:30 -72.614711 0.030122 LBFGSLineSearch: 1 01:55:31 -72.614724 0.048464 LBFGSLineSearch: 2 01:55:32 -72.614743 0.086540 LBFGSLineSearch: 3 01:55:33 -72.614778 0.024880 LBFGSLineSearch: 4 01:55:33 -72.614779 0.008277 LBFGSLineSearch: 5 01:55:34 -72.614780 0.008993 LBFGSLineSearch: 6 01:55:34 -72.614785 0.009987 LBFGSLineSearch: 7 01:55:35 -72.614785 0.004661 LBFGSLineSearch: 8 01:55:36 -72.614788 0.004973 LBFGSLineSearch: 9 01:55:36 -72.614789 0.002865 LBFGSLineSearch: 10 01:55:37 -72.614789 0.001374 LBFGSLineSearch: 11 01:55:37 -72.614789 0.001346 LBFGSLineSearch: 12 01:55:38 -72.614790 0.001314 LBFGSLineSearch: 13 01:55:38 -72.614790 0.000438 LBFGSLineSearch: 14 01:55:39 -72.614790 0.000445 LBFGSLineSearch: 15 01:55:39 -72.614790 0.000231 LBFGSLineSearch: 16 01:55:39 -72.614790 0.000206 LBFGSLineSearch: 17 01:55:40 -72.614790 0.000118 LBFGSLineSearch: 18 01:55:40 -72.614790 0.000050 LBFGSLineSearch: 19 01:55:41 -72.614790 0.000030 LBFGSLineSearch: 20 01:55:41 -72.614790 0.000015 LBFGSLineSearch: 21 01:55:42 -72.614790 0.000001 Minimization converged after 21 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:49 -73.036657 0.030134 LBFGSLineSearch: 1 01:55:49 -73.036669 0.048400 LBFGSLineSearch: 2 01:55:49 -73.036688 0.086813 LBFGSLineSearch: 3 01:55:50 -73.036724 0.024813 LBFGSLineSearch: 4 01:55:50 -73.036725 0.008312 LBFGSLineSearch: 5 01:55:50 -73.036725 0.008987 LBFGSLineSearch: 6 01:55:51 -73.036730 0.009873 LBFGSLineSearch: 7 01:55:51 -73.036731 0.004522 LBFGSLineSearch: 8 01:55:51 -73.036733 0.005018 LBFGSLineSearch: 9 01:55:52 -73.036734 0.002782 LBFGSLineSearch: 10 01:55:52 -73.036735 0.001311 LBFGSLineSearch: 11 01:55:53 -73.036735 0.001250 LBFGSLineSearch: 12 01:55:54 -73.036735 0.000776 LBFGSLineSearch: 13 01:55:57 -73.036735 0.001018 LBFGSLineSearch: 14 01:56:00 -73.036735 0.000515 LBFGSLineSearch: 15 01:56:01 -73.036735 0.000495 LBFGSLineSearch: 16 01:56:01 -73.036735 0.000269 LBFGSLineSearch: 17 01:56:02 -73.036735 0.000272 LBFGSLineSearch: 18 01:56:03 -73.036735 0.000185 LBFGSLineSearch: 19 01:56:03 -73.036735 0.000082 LBFGSLineSearch: 20 01:56:04 -73.036735 0.000025 LBFGSLineSearch: 21 01:56:04 -73.036735 0.000014 LBFGSLineSearch: 22 01:56:05 -73.036735 0.000003 Minimization converged after 22 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:12 -73.458759 0.030144 LBFGSLineSearch: 1 01:56:12 -73.458772 0.048343 LBFGSLineSearch: 2 01:56:13 -73.458791 0.087159 LBFGSLineSearch: 3 01:56:13 -73.458827 0.024734 LBFGSLineSearch: 4 01:56:14 -73.458828 0.008332 LBFGSLineSearch: 5 01:56:15 -73.458828 0.008957 LBFGSLineSearch: 6 01:56:15 -73.458833 0.009838 LBFGSLineSearch: 7 01:56:16 -73.458834 0.004400 LBFGSLineSearch: 8 01:56:16 -73.458837 0.005042 LBFGSLineSearch: 9 01:56:17 -73.458837 0.002696 LBFGSLineSearch: 10 01:56:17 -73.458838 0.001332 LBFGSLineSearch: 11 01:56:19 -73.458838 0.001256 LBFGSLineSearch: 12 01:56:19 -73.458838 0.000758 LBFGSLineSearch: 13 01:56:19 -73.458838 0.001067 LBFGSLineSearch: 14 01:56:20 -73.458838 0.000512 LBFGSLineSearch: 15 01:56:20 -73.458838 0.000534 LBFGSLineSearch: 16 01:56:21 -73.458838 0.000271 LBFGSLineSearch: 17 01:56:22 -73.458838 0.000291 LBFGSLineSearch: 18 01:56:22 -73.458838 0.000210 LBFGSLineSearch: 19 01:56:23 -73.458838 0.000049 LBFGSLineSearch: 20 01:56:23 -73.458838 0.000023 LBFGSLineSearch: 21 01:56:24 -73.458838 0.000014 LBFGSLineSearch: 22 01:56:24 -73.458838 0.000001 Minimization converged after 22 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:31 -73.881020 0.030156 LBFGSLineSearch: 1 01:56:31 -73.881033 0.048313 LBFGSLineSearch: 2 01:56:33 -73.881052 0.087035 LBFGSLineSearch: 3 01:56:34 -73.881087 0.024890 LBFGSLineSearch: 4 01:56:34 -73.881089 0.008344 LBFGSLineSearch: 5 01:56:34 -73.881089 0.008963 LBFGSLineSearch: 6 01:56:35 -73.881094 0.009799 LBFGSLineSearch: 7 01:56:35 -73.881095 0.004319 LBFGSLineSearch: 8 01:56:37 -73.881098 0.005015 LBFGSLineSearch: 9 01:56:37 -73.881098 0.002625 LBFGSLineSearch: 10 01:56:37 -73.881099 0.001345 LBFGSLineSearch: 11 01:56:38 -73.881099 0.001243 LBFGSLineSearch: 12 01:56:38 -73.881099 0.000732 LBFGSLineSearch: 13 01:56:38 -73.881099 0.001098 LBFGSLineSearch: 14 01:56:39 -73.881099 0.000507 LBFGSLineSearch: 15 01:56:39 -73.881099 0.000561 LBFGSLineSearch: 16 01:56:40 -73.881099 0.000270 LBFGSLineSearch: 17 01:56:40 -73.881099 0.000306 LBFGSLineSearch: 18 01:56:40 -73.881099 0.000225 LBFGSLineSearch: 19 01:56:41 -73.881099 0.000045 LBFGSLineSearch: 20 01:56:41 -73.881099 0.000032 LBFGSLineSearch: 21 01:56:42 -73.881099 0.000014 LBFGSLineSearch: 22 01:56:42 -73.881099 0.000001 Minimization converged after 22 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:48 -74.303439 0.030168 LBFGSLineSearch: 1 01:56:49 -74.303452 0.048278 LBFGSLineSearch: 2 01:56:49 -74.303471 0.086977 LBFGSLineSearch: 3 01:56:49 -74.303507 0.025016 LBFGSLineSearch: 4 01:56:50 -74.303508 0.008356 LBFGSLineSearch: 5 01:56:51 -74.303508 0.008966 LBFGSLineSearch: 6 01:56:51 -74.303513 0.009755 LBFGSLineSearch: 7 01:56:52 -74.303514 0.004243 LBFGSLineSearch: 8 01:56:52 -74.303517 0.004980 LBFGSLineSearch: 9 01:56:52 -74.303518 0.002554 LBFGSLineSearch: 10 01:56:53 -74.303518 0.001374 LBFGSLineSearch: 11 01:56:53 -74.303518 0.001232 LBFGSLineSearch: 12 01:56:54 -74.303518 0.000703 LBFGSLineSearch: 13 01:56:55 -74.303518 0.001132 LBFGSLineSearch: 14 01:56:57 -74.303518 0.000499 LBFGSLineSearch: 15 01:57:00 -74.303518 0.000585 LBFGSLineSearch: 16 01:57:01 -74.303518 0.000265 LBFGSLineSearch: 17 01:57:01 -74.303518 0.000326 LBFGSLineSearch: 18 01:57:02 -74.303518 0.000238 LBFGSLineSearch: 19 01:57:02 -74.303518 0.000083 LBFGSLineSearch: 20 01:57:03 -74.303518 0.000039 LBFGSLineSearch: 21 01:57:03 -74.303518 0.000014 LBFGSLineSearch: 22 01:57:04 -74.303518 0.000002 Minimization converged after 22 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:10 -74.726017 0.030179 LBFGSLineSearch: 1 01:57:10 -74.726030 0.048242 LBFGSLineSearch: 2 01:57:11 -74.726049 0.086954 LBFGSLineSearch: 3 01:57:11 -74.726085 0.025128 LBFGSLineSearch: 4 01:57:12 -74.726086 0.008360 LBFGSLineSearch: 5 01:57:12 -74.726086 0.008971 LBFGSLineSearch: 6 01:57:13 -74.726091 0.009703 LBFGSLineSearch: 7 01:57:13 -74.726092 0.004188 LBFGSLineSearch: 8 01:57:14 -74.726095 0.004928 LBFGSLineSearch: 9 01:57:15 -74.726096 0.002483 LBFGSLineSearch: 10 01:57:15 -74.726096 0.001404 LBFGSLineSearch: 11 01:57:15 -74.726096 0.001218 LBFGSLineSearch: 12 01:57:18 -74.726096 0.000691 LBFGSLineSearch: 13 01:57:19 -74.726096 0.001166 LBFGSLineSearch: 14 01:57:19 -74.726096 0.000489 LBFGSLineSearch: 15 01:57:20 -74.726096 0.000602 LBFGSLineSearch: 16 01:57:21 -74.726096 0.000257 LBFGSLineSearch: 17 01:57:22 -74.726096 0.000349 LBFGSLineSearch: 18 01:57:22 -74.726096 0.000242 LBFGSLineSearch: 19 01:57:23 -74.726096 0.000096 LBFGSLineSearch: 20 01:57:23 -74.726096 0.000043 LBFGSLineSearch: 21 01:57:24 -74.726096 0.000013 LBFGSLineSearch: 22 01:57:25 -74.726096 0.000002 Minimization converged after 22 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:31 -75.148754 0.030190 LBFGSLineSearch: 1 01:57:32 -75.148767 0.048200 LBFGSLineSearch: 2 01:57:32 -75.148786 0.087041 LBFGSLineSearch: 3 01:57:33 -75.148822 0.025185 LBFGSLineSearch: 4 01:57:33 -75.148823 0.008370 LBFGSLineSearch: 5 01:57:34 -75.148823 0.008968 LBFGSLineSearch: 6 01:57:34 -75.148829 0.009628 LBFGSLineSearch: 7 01:57:35 -75.148829 0.004125 LBFGSLineSearch: 8 01:57:36 -75.148832 0.004858 LBFGSLineSearch: 9 01:57:36 -75.148833 0.002403 LBFGSLineSearch: 10 01:57:37 -75.148833 0.001440 LBFGSLineSearch: 11 01:57:37 -75.148833 0.001210 LBFGSLineSearch: 12 01:57:38 -75.148833 0.000696 LBFGSLineSearch: 13 01:57:39 -75.148833 0.001211 LBFGSLineSearch: 14 01:57:39 -75.148833 0.000476 LBFGSLineSearch: 15 01:57:40 -75.148834 0.000614 LBFGSLineSearch: 16 01:57:41 -75.148834 0.000238 LBFGSLineSearch: 17 01:57:41 -75.148834 0.000380 LBFGSLineSearch: 18 01:57:43 -75.148834 0.000200 LBFGSLineSearch: 19 01:57:43 -75.148834 0.000084 LBFGSLineSearch: 20 01:57:44 -75.148834 0.000039 LBFGSLineSearch: 21 01:57:44 -75.148834 0.000013 LBFGSLineSearch: 22 01:57:45 -75.148834 0.000001 Minimization converged after 22 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:51 -75.571650 0.030201 LBFGSLineSearch: 1 01:57:52 -75.571663 0.048139 LBFGSLineSearch: 2 01:57:52 -75.571682 0.087401 LBFGSLineSearch: 3 01:57:52 -75.571718 0.025097 LBFGSLineSearch: 4 01:57:53 -75.571719 0.008393 LBFGSLineSearch: 5 01:57:54 -75.571720 0.008951 LBFGSLineSearch: 6 01:57:55 -75.571725 0.009510 LBFGSLineSearch: 7 01:57:55 -75.571726 0.004048 LBFGSLineSearch: 8 01:57:55 -75.571729 0.004801 LBFGSLineSearch: 9 01:57:56 -75.571729 0.002131 LBFGSLineSearch: 10 01:57:56 -75.571730 0.001331 LBFGSLineSearch: 11 01:57:56 -75.571730 0.000494 LBFGSLineSearch: 12 01:57:57 -75.571730 0.000840 LBFGSLineSearch: 13 01:57:57 -75.571730 0.000254 LBFGSLineSearch: 14 01:57:58 -75.571730 0.000368 LBFGSLineSearch: 15 01:57:58 -75.571730 0.000381 LBFGSLineSearch: 16 01:58:00 -75.571730 0.000408 LBFGSLineSearch: 17 01:58:01 -75.571730 0.000169 LBFGSLineSearch: 18 01:58:02 -75.571730 0.000014 LBFGSLineSearch: 19 01:58:03 -75.571730 0.000011 LBFGSLineSearch: 20 01:58:04 -75.571730 0.000000 Minimization converged after 20 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:12 -75.994707 0.030213 LBFGSLineSearch: 1 01:58:12 -75.994720 0.048098 LBFGSLineSearch: 2 01:58:13 -75.994739 0.087424 LBFGSLineSearch: 3 01:58:13 -75.994775 0.025186 LBFGSLineSearch: 4 01:58:13 -75.994776 0.008399 LBFGSLineSearch: 5 01:58:14 -75.994777 0.008963 LBFGSLineSearch: 6 01:58:14 -75.994782 0.009411 LBFGSLineSearch: 7 01:58:15 -75.994782 0.004015 LBFGSLineSearch: 8 01:58:15 -75.994786 0.004681 LBFGSLineSearch: 9 01:58:16 -75.994786 0.002302 LBFGSLineSearch: 10 01:58:16 -75.994787 0.001351 LBFGSLineSearch: 11 01:58:16 -75.994787 0.000494 LBFGSLineSearch: 12 01:58:17 -75.994787 0.000906 LBFGSLineSearch: 13 01:58:17 -75.994787 0.000269 LBFGSLineSearch: 14 01:58:18 -75.994787 0.000314 LBFGSLineSearch: 15 01:58:18 -75.994787 0.000313 LBFGSLineSearch: 16 01:58:19 -75.994787 0.000197 LBFGSLineSearch: 17 01:58:19 -75.994787 0.000167 LBFGSLineSearch: 18 01:58:20 -75.994787 0.000077 LBFGSLineSearch: 19 01:58:20 -75.994787 0.000013 LBFGSLineSearch: 20 01:58:21 -75.994787 0.000027 LBFGSLineSearch: 21 01:58:21 -75.994787 0.000000 Minimization converged after 21 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:28 -76.417924 0.030224 LBFGSLineSearch: 1 01:58:29 -76.417937 0.048062 LBFGSLineSearch: 2 01:58:30 -76.417956 0.087532 LBFGSLineSearch: 3 01:58:30 -76.417992 0.025212 LBFGSLineSearch: 4 01:58:31 -76.417993 0.008395 LBFGSLineSearch: 5 01:58:31 -76.417994 0.008977 LBFGSLineSearch: 6 01:58:32 -76.417999 0.009327 LBFGSLineSearch: 7 01:58:32 -76.418000 0.004010 LBFGSLineSearch: 8 01:58:33 -76.418003 0.004563 LBFGSLineSearch: 9 01:58:33 -76.418003 0.002492 LBFGSLineSearch: 10 01:58:33 -76.418004 0.001371 LBFGSLineSearch: 11 01:58:34 -76.418004 0.000486 LBFGSLineSearch: 12 01:58:34 -76.418004 0.000813 LBFGSLineSearch: 13 01:58:34 -76.418004 0.000279 LBFGSLineSearch: 14 01:58:35 -76.418004 0.000271 LBFGSLineSearch: 15 01:58:35 -76.418004 0.000226 LBFGSLineSearch: 16 01:58:35 -76.418004 0.000198 LBFGSLineSearch: 17 01:58:36 -76.418004 0.000165 LBFGSLineSearch: 18 01:58:36 -76.418004 0.000045 LBFGSLineSearch: 19 01:58:36 -76.418004 0.000013 LBFGSLineSearch: 20 01:58:37 -76.418004 0.000023 LBFGSLineSearch: 21 01:58:37 -76.418004 0.000000 Minimization converged after 21 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:43 -76.841302 0.030236 LBFGSLineSearch: 1 01:58:44 -76.841314 0.048054 LBFGSLineSearch: 2 01:58:44 -76.841334 0.087688 LBFGSLineSearch: 3 01:58:45 -76.841370 0.025187 LBFGSLineSearch: 4 01:58:46 -76.841371 0.008367 LBFGSLineSearch: 5 01:58:46 -76.841372 0.009001 LBFGSLineSearch: 6 01:58:47 -76.841377 0.009332 LBFGSLineSearch: 7 01:58:47 -76.841378 0.004038 LBFGSLineSearch: 8 01:58:48 -76.841381 0.004423 LBFGSLineSearch: 9 01:58:48 -76.841381 0.002531 LBFGSLineSearch: 10 01:58:49 -76.841382 0.001373 LBFGSLineSearch: 11 01:58:49 -76.841382 0.000476 LBFGSLineSearch: 12 01:58:49 -76.841382 0.000926 LBFGSLineSearch: 13 01:58:50 -76.841382 0.000282 LBFGSLineSearch: 14 01:58:50 -76.841382 0.000288 LBFGSLineSearch: 15 01:58:50 -76.841382 0.000240 LBFGSLineSearch: 16 01:58:51 -76.841382 0.000199 LBFGSLineSearch: 17 01:58:51 -76.841382 0.000216 LBFGSLineSearch: 18 01:58:52 -76.841382 0.000030 LBFGSLineSearch: 19 01:58:52 -76.841382 0.000013 LBFGSLineSearch: 20 01:58:53 -76.841382 0.000021 LBFGSLineSearch: 21 01:58:53 -76.841382 0.000000 Minimization converged after 21 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:00 -77.264841 0.030247 LBFGSLineSearch: 1 01:59:00 -77.264854 0.048050 LBFGSLineSearch: 2 01:59:01 -77.264873 0.087838 LBFGSLineSearch: 3 01:59:01 -77.264909 0.025283 LBFGSLineSearch: 4 01:59:01 -77.264911 0.008341 LBFGSLineSearch: 5 01:59:02 -77.264911 0.009024 LBFGSLineSearch: 6 01:59:03 -77.264917 0.009454 LBFGSLineSearch: 7 01:59:03 -77.264917 0.004073 LBFGSLineSearch: 8 01:59:03 -77.264920 0.004277 LBFGSLineSearch: 9 01:59:04 -77.264921 0.002520 LBFGSLineSearch: 10 01:59:05 -77.264921 0.001370 LBFGSLineSearch: 11 01:59:05 -77.264921 0.000465 LBFGSLineSearch: 12 01:59:06 -77.264922 0.000742 LBFGSLineSearch: 13 01:59:06 -77.264922 0.000287 LBFGSLineSearch: 14 01:59:07 -77.264922 0.000241 LBFGSLineSearch: 15 01:59:07 -77.264922 0.000199 LBFGSLineSearch: 16 01:59:08 -77.264922 0.000199 LBFGSLineSearch: 17 01:59:09 -77.264922 0.000170 LBFGSLineSearch: 18 01:59:09 -77.264922 0.000012 LBFGSLineSearch: 19 01:59:10 -77.264922 0.000013 LBFGSLineSearch: 20 01:59:10 -77.264922 0.000008 Minimization converged after 20 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:17 -77.688542 0.030265 LBFGSLineSearch: 1 01:59:17 -77.688555 0.047967 LBFGSLineSearch: 2 01:59:19 -77.688575 0.088620 LBFGSLineSearch: 3 01:59:19 -77.688611 0.024975 LBFGSLineSearch: 4 01:59:21 -77.688612 0.008333 LBFGSLineSearch: 5 01:59:21 -77.688613 0.009060 LBFGSLineSearch: 6 01:59:21 -77.688618 0.009522 LBFGSLineSearch: 7 01:59:23 -77.688619 0.004083 LBFGSLineSearch: 8 01:59:24 -77.688622 0.004191 LBFGSLineSearch: 9 01:59:25 -77.688622 0.002501 LBFGSLineSearch: 10 01:59:26 -77.688623 0.001358 LBFGSLineSearch: 11 01:59:27 -77.688623 0.000457 LBFGSLineSearch: 12 01:59:27 -77.688623 0.000732 LBFGSLineSearch: 13 01:59:28 -77.688623 0.000286 LBFGSLineSearch: 14 01:59:28 -77.688623 0.000241 LBFGSLineSearch: 15 01:59:28 -77.688623 0.000195 LBFGSLineSearch: 16 01:59:29 -77.688623 0.000192 LBFGSLineSearch: 17 01:59:29 -77.688623 0.000158 LBFGSLineSearch: 18 01:59:29 -77.688623 0.000012 LBFGSLineSearch: 19 01:59:29 -77.688623 0.000013 LBFGSLineSearch: 20 01:59:30 -77.688623 0.000002 Minimization converged after 20 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:36 -78.112406 0.030271 LBFGSLineSearch: 1 01:59:37 -78.112419 0.048008 LBFGSLineSearch: 2 01:59:37 -78.112438 0.088103 LBFGSLineSearch: 3 01:59:38 -78.112475 0.025400 LBFGSLineSearch: 4 01:59:38 -78.112476 0.008331 LBFGSLineSearch: 5 01:59:39 -78.112476 0.009042 LBFGSLineSearch: 6 01:59:39 -78.112482 0.009514 LBFGSLineSearch: 7 01:59:40 -78.112483 0.004038 LBFGSLineSearch: 8 01:59:40 -78.112486 0.004049 LBFGSLineSearch: 9 01:59:41 -78.112486 0.002777 LBFGSLineSearch: 10 01:59:41 -78.112487 0.001393 LBFGSLineSearch: 11 01:59:41 -78.112487 0.000442 LBFGSLineSearch: 12 01:59:42 -78.112487 0.000632 LBFGSLineSearch: 13 01:59:42 -78.112487 0.000290 LBFGSLineSearch: 14 01:59:42 -78.112487 0.000224 LBFGSLineSearch: 15 01:59:42 -78.112487 0.000194 LBFGSLineSearch: 16 01:59:42 -78.112487 0.000175 LBFGSLineSearch: 17 01:59:42 -78.112487 0.000120 LBFGSLineSearch: 18 01:59:42 -78.112487 0.000012 LBFGSLineSearch: 19 01:59:42 -78.112487 0.000011 LBFGSLineSearch: 20 01:59:42 -78.112487 0.000003 Minimization converged after 20 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:48 -78.536432 0.030283 LBFGSLineSearch: 1 01:59:48 -78.536445 0.047967 LBFGSLineSearch: 2 01:59:49 -78.536465 0.088269 LBFGSLineSearch: 3 01:59:49 -78.536501 0.025425 LBFGSLineSearch: 4 01:59:49 -78.536503 0.008337 LBFGSLineSearch: 5 01:59:50 -78.536503 0.009054 LBFGSLineSearch: 6 01:59:50 -78.536509 0.009522 LBFGSLineSearch: 7 01:59:50 -78.536509 0.003996 LBFGSLineSearch: 8 01:59:50 -78.536513 0.003905 LBFGSLineSearch: 9 01:59:51 -78.536513 0.002949 LBFGSLineSearch: 10 01:59:51 -78.536514 0.001413 LBFGSLineSearch: 11 01:59:52 -78.536514 0.000427 LBFGSLineSearch: 12 01:59:53 -78.536514 0.000628 LBFGSLineSearch: 13 01:59:53 -78.536514 0.000290 LBFGSLineSearch: 14 01:59:54 -78.536514 0.000222 LBFGSLineSearch: 15 01:59:54 -78.536514 0.000197 LBFGSLineSearch: 16 01:59:55 -78.536514 0.000199 LBFGSLineSearch: 17 01:59:55 -78.536514 0.000088 LBFGSLineSearch: 18 01:59:55 -78.536514 0.000012 LBFGSLineSearch: 19 01:59:56 -78.536514 0.000010 Minimization converged after 19 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:02 -78.960622 0.030301 LBFGSLineSearch: 1 02:00:03 -78.960636 0.047857 LBFGSLineSearch: 2 02:00:03 -78.960655 0.088953 LBFGSLineSearch: 3 02:00:04 -78.960692 0.025169 LBFGSLineSearch: 4 02:00:05 -78.960693 0.008339 LBFGSLineSearch: 5 02:00:06 -78.960694 0.009061 LBFGSLineSearch: 6 02:00:06 -78.960699 0.009570 LBFGSLineSearch: 7 02:00:06 -78.960700 0.003959 LBFGSLineSearch: 8 02:00:07 -78.960703 0.003771 LBFGSLineSearch: 9 02:00:07 -78.960704 0.003067 LBFGSLineSearch: 10 02:00:08 -78.960704 0.001417 LBFGSLineSearch: 11 02:00:08 -78.960704 0.000412 LBFGSLineSearch: 12 02:00:09 -78.960704 0.000561 LBFGSLineSearch: 13 02:00:09 -78.960704 0.000287 LBFGSLineSearch: 14 02:00:10 -78.960704 0.000225 LBFGSLineSearch: 15 02:00:10 -78.960704 0.000199 LBFGSLineSearch: 16 02:00:10 -78.960704 0.000198 LBFGSLineSearch: 17 02:00:10 -78.960704 0.000068 LBFGSLineSearch: 18 02:00:11 -78.960704 0.000011 LBFGSLineSearch: 19 02:00:11 -78.960704 0.000011 LBFGSLineSearch: 20 02:00:12 -78.960704 0.000000 Minimization converged after 20 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:18 -79.384977 0.030305 LBFGSLineSearch: 1 02:00:18 -79.384990 0.047906 LBFGSLineSearch: 2 02:00:18 -79.385009 0.088444 LBFGSLineSearch: 3 02:00:19 -79.385046 0.025570 LBFGSLineSearch: 4 02:00:19 -79.385047 0.008352 LBFGSLineSearch: 5 02:00:20 -79.385048 0.009077 LBFGSLineSearch: 6 02:00:20 -79.385054 0.009522 LBFGSLineSearch: 7 02:00:21 -79.385054 0.003935 LBFGSLineSearch: 8 02:00:22 -79.385058 0.003625 LBFGSLineSearch: 9 02:00:23 -79.385058 0.003149 LBFGSLineSearch: 10 02:00:23 -79.385059 0.001401 LBFGSLineSearch: 11 02:00:24 -79.385059 0.000421 LBFGSLineSearch: 12 02:00:25 -79.385059 0.000445 LBFGSLineSearch: 13 02:00:25 -79.385059 0.000282 LBFGSLineSearch: 14 02:00:26 -79.385059 0.000237 LBFGSLineSearch: 15 02:00:26 -79.385059 0.000202 LBFGSLineSearch: 16 02:00:27 -79.385059 0.000111 LBFGSLineSearch: 17 02:00:27 -79.385059 0.000041 LBFGSLineSearch: 18 02:00:28 -79.385059 0.000013 LBFGSLineSearch: 19 02:00:28 -79.385059 0.000009 Minimization converged after 19 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:35 -79.809496 0.030321 LBFGSLineSearch: 1 02:00:36 -79.809509 0.047872 LBFGSLineSearch: 2 02:00:37 -79.809528 0.088566 LBFGSLineSearch: 3 02:00:39 -79.809565 0.025629 LBFGSLineSearch: 4 02:00:39 -79.809567 0.008360 LBFGSLineSearch: 5 02:00:40 -79.809567 0.009084 LBFGSLineSearch: 6 02:00:40 -79.809573 0.009527 LBFGSLineSearch: 7 02:00:41 -79.809574 0.003896 LBFGSLineSearch: 8 02:00:41 -79.809577 0.003457 LBFGSLineSearch: 9 02:00:42 -79.809578 0.003108 LBFGSLineSearch: 10 02:00:42 -79.809578 0.001356 LBFGSLineSearch: 11 02:00:43 -79.809578 0.000426 LBFGSLineSearch: 12 02:00:44 -79.809578 0.000413 LBFGSLineSearch: 13 02:00:44 -79.809578 0.000277 LBFGSLineSearch: 14 02:00:44 -79.809578 0.000245 LBFGSLineSearch: 15 02:00:45 -79.809578 0.000207 LBFGSLineSearch: 16 02:00:45 -79.809578 0.000119 LBFGSLineSearch: 17 02:00:46 -79.809578 0.000031 LBFGSLineSearch: 18 02:00:46 -79.809578 0.000011 LBFGSLineSearch: 19 02:00:47 -79.809578 0.000011 LBFGSLineSearch: 20 02:00:47 -79.809578 0.000000 Minimization converged after 20 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:54 -80.234180 0.030329 LBFGSLineSearch: 1 02:00:54 -80.234193 0.047839 LBFGSLineSearch: 2 02:00:54 -80.234213 0.088664 LBFGSLineSearch: 3 02:00:55 -80.234250 0.025699 LBFGSLineSearch: 4 02:00:55 -80.234251 0.008368 LBFGSLineSearch: 5 02:00:56 -80.234252 0.009095 LBFGSLineSearch: 6 02:00:56 -80.234258 0.009533 LBFGSLineSearch: 7 02:00:57 -80.234258 0.003863 LBFGSLineSearch: 8 02:00:57 -80.234261 0.003299 LBFGSLineSearch: 9 02:00:57 -80.234262 0.002962 LBFGSLineSearch: 10 02:00:58 -80.234262 0.001289 LBFGSLineSearch: 11 02:00:58 -80.234262 0.000427 LBFGSLineSearch: 12 02:00:59 -80.234263 0.000379 LBFGSLineSearch: 13 02:01:00 -80.234263 0.000275 LBFGSLineSearch: 14 02:01:00 -80.234263 0.000241 LBFGSLineSearch: 15 02:01:01 -80.234263 0.000212 LBFGSLineSearch: 16 02:01:01 -80.234263 0.000131 LBFGSLineSearch: 17 02:01:02 -80.234263 0.000038 LBFGSLineSearch: 18 02:01:02 -80.234263 0.000010 Minimization converged after 18 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:08 -80.659030 0.030345 LBFGSLineSearch: 1 02:01:09 -80.659043 0.047819 LBFGSLineSearch: 2 02:01:09 -80.659063 0.088645 LBFGSLineSearch: 3 02:01:09 -80.659100 0.025831 LBFGSLineSearch: 4 02:01:10 -80.659101 0.008365 LBFGSLineSearch: 5 02:01:10 -80.659102 0.009144 LBFGSLineSearch: 6 02:01:10 -80.659108 0.009565 LBFGSLineSearch: 7 02:01:11 -80.659109 0.003859 LBFGSLineSearch: 8 02:01:11 -80.659112 0.003192 LBFGSLineSearch: 9 02:01:11 -80.659112 0.002864 LBFGSLineSearch: 10 02:01:11 -80.659113 0.001255 LBFGSLineSearch: 11 02:01:12 -80.659113 0.000426 LBFGSLineSearch: 12 02:01:12 -80.659113 0.000382 LBFGSLineSearch: 13 02:01:12 -80.659113 0.000271 LBFGSLineSearch: 14 02:01:12 -80.659113 0.000235 LBFGSLineSearch: 15 02:01:12 -80.659113 0.000145 LBFGSLineSearch: 16 02:01:13 -80.659113 0.000108 LBFGSLineSearch: 17 02:01:13 -80.659113 0.000029 LBFGSLineSearch: 18 02:01:13 -80.659113 0.000010 LBFGSLineSearch: 19 02:01:13 -80.659113 0.000010 Minimization converged after 19 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:19 -81.084047 0.030360 LBFGSLineSearch: 1 02:01:20 -81.084060 0.047760 LBFGSLineSearch: 2 02:01:20 -81.084079 0.089027 LBFGSLineSearch: 3 02:01:21 -81.084117 0.025761 LBFGSLineSearch: 4 02:01:21 -81.084118 0.008399 LBFGSLineSearch: 5 02:01:22 -81.084119 0.009085 LBFGSLineSearch: 6 02:01:22 -81.084125 0.009509 LBFGSLineSearch: 7 02:01:23 -81.084125 0.003787 LBFGSLineSearch: 8 02:01:24 -81.084129 0.002943 LBFGSLineSearch: 9 02:01:26 -81.084129 0.002549 LBFGSLineSearch: 10 02:01:28 -81.084130 0.001103 LBFGSLineSearch: 11 02:01:28 -81.084130 0.000416 LBFGSLineSearch: 12 02:01:29 -81.084130 0.000469 LBFGSLineSearch: 13 02:01:29 -81.084130 0.000280 LBFGSLineSearch: 14 02:01:30 -81.084130 0.000209 LBFGSLineSearch: 15 02:01:30 -81.084130 0.000140 LBFGSLineSearch: 16 02:01:30 -81.084130 0.000129 LBFGSLineSearch: 17 02:01:30 -81.084130 0.000032 LBFGSLineSearch: 18 02:01:31 -81.084130 0.000010 LBFGSLineSearch: 19 02:01:31 -81.084130 0.000007 Minimization converged after 19 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:36 -81.509230 0.030371 LBFGSLineSearch: 1 02:01:36 -81.509243 0.047754 LBFGSLineSearch: 2 02:01:37 -81.509263 0.089105 LBFGSLineSearch: 3 02:01:38 -81.509301 0.025859 LBFGSLineSearch: 4 02:01:38 -81.509302 0.008441 LBFGSLineSearch: 5 02:01:40 -81.509303 0.009036 LBFGSLineSearch: 6 02:01:40 -81.509309 0.009621 LBFGSLineSearch: 7 02:01:41 -81.509309 0.003841 LBFGSLineSearch: 8 02:01:41 -81.509313 0.003444 LBFGSLineSearch: 9 02:01:43 -81.509313 0.002218 LBFGSLineSearch: 10 02:01:44 -81.509314 0.001013 LBFGSLineSearch: 11 02:01:45 -81.509314 0.000403 LBFGSLineSearch: 12 02:01:45 -81.509314 0.000616 LBFGSLineSearch: 13 02:01:46 -81.509314 0.000314 LBFGSLineSearch: 14 02:01:46 -81.509314 0.000269 LBFGSLineSearch: 15 02:01:47 -81.509314 0.000169 LBFGSLineSearch: 16 02:01:47 -81.509314 0.000315 LBFGSLineSearch: 17 02:01:47 -81.509314 0.000030 LBFGSLineSearch: 18 02:01:48 -81.509314 0.000011 LBFGSLineSearch: 19 02:01:48 -81.509314 0.000011 LBFGSLineSearch: 20 02:01:49 -81.509314 0.000000 Minimization converged after 20 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:54 -81.934582 0.030376 LBFGSLineSearch: 1 02:01:55 -81.934595 0.047703 LBFGSLineSearch: 2 02:01:55 -81.934615 0.089119 LBFGSLineSearch: 3 02:01:55 -81.934652 0.025964 LBFGSLineSearch: 4 02:01:55 -81.934654 0.008405 LBFGSLineSearch: 5 02:01:56 -81.934654 0.009154 LBFGSLineSearch: 6 02:01:56 -81.934660 0.009630 LBFGSLineSearch: 7 02:01:56 -81.934661 0.003766 LBFGSLineSearch: 8 02:01:57 -81.934664 0.003151 LBFGSLineSearch: 9 02:01:57 -81.934665 0.002373 LBFGSLineSearch: 10 02:01:58 -81.934665 0.001019 LBFGSLineSearch: 11 02:01:58 -81.934665 0.000404 LBFGSLineSearch: 12 02:01:58 -81.934666 0.000569 LBFGSLineSearch: 13 02:01:58 -81.934666 0.000295 LBFGSLineSearch: 14 02:01:59 -81.934666 0.000233 LBFGSLineSearch: 15 02:01:59 -81.934666 0.000158 LBFGSLineSearch: 16 02:02:00 -81.934666 0.000245 LBFGSLineSearch: 17 02:02:00 -81.934666 0.000030 LBFGSLineSearch: 18 02:02:00 -81.934666 0.000010 Minimization converged after 18 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:07 -82.360101 0.030395 LBFGSLineSearch: 1 02:02:07 -82.360115 0.047702 LBFGSLineSearch: 2 02:02:07 -82.360134 0.089257 LBFGSLineSearch: 3 02:02:07 -82.360172 0.026042 LBFGSLineSearch: 4 02:02:08 -82.360174 0.008454 LBFGSLineSearch: 5 02:02:08 -82.360174 0.009075 LBFGSLineSearch: 6 02:02:08 -82.360181 0.009750 LBFGSLineSearch: 7 02:02:09 -82.360181 0.004036 LBFGSLineSearch: 8 02:02:09 -82.360184 0.003780 LBFGSLineSearch: 9 02:02:09 -82.360185 0.001737 LBFGSLineSearch: 10 02:02:09 -82.360185 0.001115 LBFGSLineSearch: 11 02:02:09 -82.360185 0.000872 LBFGSLineSearch: 12 02:02:09 -82.360185 0.000696 LBFGSLineSearch: 13 02:02:10 -82.360186 0.000781 LBFGSLineSearch: 14 02:02:10 -82.360186 0.000435 LBFGSLineSearch: 15 02:02:11 -82.360186 0.000427 LBFGSLineSearch: 16 02:02:11 -82.360186 0.000166 LBFGSLineSearch: 17 02:02:12 -82.360186 0.000234 LBFGSLineSearch: 18 02:02:12 -82.360186 0.000149 LBFGSLineSearch: 19 02:02:13 -82.360186 0.000068 LBFGSLineSearch: 20 02:02:13 -82.360186 0.000037 LBFGSLineSearch: 21 02:02:13 -82.360186 0.000008 Minimization converged after 21 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:20 -82.785790 0.030404 LBFGSLineSearch: 1 02:02:20 -82.785804 0.047637 LBFGSLineSearch: 2 02:02:21 -82.785823 0.089349 LBFGSLineSearch: 3 02:02:21 -82.785861 0.026113 LBFGSLineSearch: 4 02:02:22 -82.785863 0.008414 LBFGSLineSearch: 5 02:02:22 -82.785863 0.009193 LBFGSLineSearch: 6 02:02:23 -82.785870 0.009744 LBFGSLineSearch: 7 02:02:24 -82.785870 0.003959 LBFGSLineSearch: 8 02:02:24 -82.785874 0.003484 LBFGSLineSearch: 9 02:02:25 -82.785874 0.002141 LBFGSLineSearch: 10 02:02:26 -82.785875 0.000936 LBFGSLineSearch: 11 02:02:26 -82.785875 0.000390 LBFGSLineSearch: 12 02:02:26 -82.785875 0.000746 LBFGSLineSearch: 13 02:02:27 -82.785875 0.000329 LBFGSLineSearch: 14 02:02:28 -82.785875 0.000244 LBFGSLineSearch: 15 02:02:28 -82.785875 0.000196 LBFGSLineSearch: 16 02:02:28 -82.785875 0.000205 LBFGSLineSearch: 17 02:02:29 -82.785875 0.000037 LBFGSLineSearch: 18 02:02:29 -82.785875 0.000009 Minimization converged after 18 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:34 -83.211649 0.030416 LBFGSLineSearch: 1 02:02:35 -83.211662 0.047600 LBFGSLineSearch: 2 02:02:35 -83.211682 0.089462 LBFGSLineSearch: 3 02:02:36 -83.211720 0.026182 LBFGSLineSearch: 4 02:02:37 -83.211721 0.008436 LBFGSLineSearch: 5 02:02:37 -83.211722 0.009202 LBFGSLineSearch: 6 02:02:38 -83.211729 0.009845 LBFGSLineSearch: 7 02:02:38 -83.211729 0.004095 LBFGSLineSearch: 8 02:02:39 -83.211733 0.003744 LBFGSLineSearch: 9 02:02:39 -83.211733 0.001691 LBFGSLineSearch: 10 02:02:40 -83.211733 0.001095 LBFGSLineSearch: 11 02:02:40 -83.211734 0.000858 LBFGSLineSearch: 12 02:02:42 -83.211734 0.000668 LBFGSLineSearch: 13 02:02:45 -83.211734 0.000747 LBFGSLineSearch: 14 02:02:47 -83.211734 0.000429 LBFGSLineSearch: 15 02:02:47 -83.211734 0.000410 LBFGSLineSearch: 16 02:02:48 -83.211734 0.000160 LBFGSLineSearch: 17 02:02:48 -83.211734 0.000207 LBFGSLineSearch: 18 02:02:49 -83.211734 0.000083 LBFGSLineSearch: 19 02:02:50 -83.211734 0.000094 LBFGSLineSearch: 20 02:02:50 -83.211734 0.000017 LBFGSLineSearch: 21 02:02:50 -83.211734 0.000008 Minimization converged after 21 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:57 -83.637678 0.030428 LBFGSLineSearch: 1 02:02:57 -83.637691 0.047564 LBFGSLineSearch: 2 02:02:58 -83.637711 0.089577 LBFGSLineSearch: 3 02:02:59 -83.637750 0.026258 LBFGSLineSearch: 4 02:02:59 -83.637751 0.008445 LBFGSLineSearch: 5 02:03:00 -83.637751 0.009229 LBFGSLineSearch: 6 02:03:00 -83.637758 0.009919 LBFGSLineSearch: 7 02:03:00 -83.637759 0.004195 LBFGSLineSearch: 8 02:03:01 -83.637762 0.003902 LBFGSLineSearch: 9 02:03:01 -83.637763 0.001674 LBFGSLineSearch: 10 02:03:02 -83.637763 0.001087 LBFGSLineSearch: 11 02:03:03 -83.637763 0.000849 LBFGSLineSearch: 12 02:03:03 -83.637763 0.000655 LBFGSLineSearch: 13 02:03:03 -83.637763 0.000723 LBFGSLineSearch: 14 02:03:04 -83.637763 0.000404 LBFGSLineSearch: 15 02:03:04 -83.637763 0.000444 LBFGSLineSearch: 16 02:03:05 -83.637763 0.000184 LBFGSLineSearch: 17 02:03:05 -83.637763 0.000186 LBFGSLineSearch: 18 02:03:06 -83.637763 0.000072 LBFGSLineSearch: 19 02:03:07 -83.637763 0.000098 LBFGSLineSearch: 20 02:03:07 -83.637763 0.000024 LBFGSLineSearch: 21 02:03:07 -83.637763 0.000008 Minimization converged after 21 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:15 -84.063878 0.030440 LBFGSLineSearch: 1 02:03:16 -84.063892 0.047529 LBFGSLineSearch: 2 02:03:16 -84.063912 0.089689 LBFGSLineSearch: 3 02:03:17 -84.063950 0.026333 LBFGSLineSearch: 4 02:03:17 -84.063951 0.008455 LBFGSLineSearch: 5 02:03:18 -84.063952 0.009252 LBFGSLineSearch: 6 02:03:18 -84.063959 0.009998 LBFGSLineSearch: 7 02:03:18 -84.063959 0.004300 LBFGSLineSearch: 8 02:03:19 -84.063963 0.004088 LBFGSLineSearch: 9 02:03:19 -84.063963 0.001658 LBFGSLineSearch: 10 02:03:20 -84.063964 0.001084 LBFGSLineSearch: 11 02:03:21 -84.063964 0.000841 LBFGSLineSearch: 12 02:03:21 -84.063964 0.000645 LBFGSLineSearch: 13 02:03:22 -84.063964 0.000710 LBFGSLineSearch: 14 02:03:23 -84.063964 0.000380 LBFGSLineSearch: 15 02:03:24 -84.063964 0.000484 LBFGSLineSearch: 16 02:03:24 -84.063964 0.000212 LBFGSLineSearch: 17 02:03:25 -84.063964 0.000166 LBFGSLineSearch: 18 02:03:25 -84.063964 0.000070 LBFGSLineSearch: 19 02:03:26 -84.063964 0.000071 LBFGSLineSearch: 20 02:03:26 -84.063964 0.000008 Minimization converged after 20 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:34 -84.490250 0.030452 LBFGSLineSearch: 1 02:03:34 -84.490264 0.047493 LBFGSLineSearch: 2 02:03:35 -84.490284 0.089798 LBFGSLineSearch: 3 02:03:35 -84.490322 0.026416 LBFGSLineSearch: 4 02:03:35 -84.490324 0.008468 LBFGSLineSearch: 5 02:03:36 -84.490324 0.009276 LBFGSLineSearch: 6 02:03:36 -84.490331 0.010078 LBFGSLineSearch: 7 02:03:36 -84.490332 0.004409 LBFGSLineSearch: 8 02:03:37 -84.490335 0.004255 LBFGSLineSearch: 9 02:03:37 -84.490336 0.001644 LBFGSLineSearch: 10 02:03:37 -84.490336 0.001083 LBFGSLineSearch: 11 02:03:38 -84.490336 0.000836 LBFGSLineSearch: 12 02:03:38 -84.490336 0.000647 LBFGSLineSearch: 13 02:03:39 -84.490336 0.000719 LBFGSLineSearch: 14 02:03:39 -84.490336 0.000360 LBFGSLineSearch: 15 02:03:40 -84.490336 0.000519 LBFGSLineSearch: 16 02:03:40 -84.490336 0.000240 LBFGSLineSearch: 17 02:03:41 -84.490336 0.000196 LBFGSLineSearch: 18 02:03:41 -84.490336 0.000097 LBFGSLineSearch: 19 02:03:43 -84.490336 0.000059 LBFGSLineSearch: 20 02:03:44 -84.490336 0.000013 LBFGSLineSearch: 21 02:03:45 -84.490336 0.000007 Minimization converged after 21 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:52 -84.916795 0.030464 LBFGSLineSearch: 1 02:03:52 -84.916809 0.047456 LBFGSLineSearch: 2 02:03:53 -84.916829 0.089920 LBFGSLineSearch: 3 02:03:53 -84.916867 0.026488 LBFGSLineSearch: 4 02:03:53 -84.916869 0.008482 LBFGSLineSearch: 5 02:03:54 -84.916869 0.009296 LBFGSLineSearch: 6 02:03:54 -84.916876 0.010173 LBFGSLineSearch: 7 02:03:54 -84.916877 0.004526 LBFGSLineSearch: 8 02:03:55 -84.916880 0.004458 LBFGSLineSearch: 9 02:03:55 -84.916881 0.001645 LBFGSLineSearch: 10 02:03:56 -84.916881 0.001088 LBFGSLineSearch: 11 02:03:56 -84.916881 0.000835 LBFGSLineSearch: 12 02:03:56 -84.916881 0.000650 LBFGSLineSearch: 13 02:03:57 -84.916882 0.000725 LBFGSLineSearch: 14 02:03:57 -84.916882 0.000358 LBFGSLineSearch: 15 02:03:57 -84.916882 0.000559 LBFGSLineSearch: 16 02:03:57 -84.916882 0.000272 LBFGSLineSearch: 17 02:03:58 -84.916882 0.000156 LBFGSLineSearch: 18 02:03:59 -84.916882 0.000069 LBFGSLineSearch: 19 02:03:59 -84.916882 0.000056 LBFGSLineSearch: 20 02:03:59 -84.916882 0.000012 LBFGSLineSearch: 21 02:03:59 -84.916882 0.000007 Minimization converged after 21 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:07 -85.343513 0.030477 LBFGSLineSearch: 1 02:04:07 -85.343527 0.047420 LBFGSLineSearch: 2 02:04:07 -85.343547 0.090035 LBFGSLineSearch: 3 02:04:08 -85.343586 0.026571 LBFGSLineSearch: 4 02:04:08 -85.343587 0.008497 LBFGSLineSearch: 5 02:04:08 -85.343588 0.009320 LBFGSLineSearch: 6 02:04:09 -85.343595 0.010260 LBFGSLineSearch: 7 02:04:09 -85.343596 0.004640 LBFGSLineSearch: 8 02:04:10 -85.343599 0.004629 LBFGSLineSearch: 9 02:04:10 -85.343600 0.001666 LBFGSLineSearch: 10 02:04:12 -85.343600 0.001092 LBFGSLineSearch: 11 02:04:13 -85.343600 0.000835 LBFGSLineSearch: 12 02:04:14 -85.343600 0.000650 LBFGSLineSearch: 13 02:04:16 -85.343600 0.000727 LBFGSLineSearch: 14 02:04:17 -85.343600 0.000357 LBFGSLineSearch: 15 02:04:18 -85.343600 0.000592 LBFGSLineSearch: 16 02:04:19 -85.343600 0.000298 LBFGSLineSearch: 17 02:04:19 -85.343600 0.000120 LBFGSLineSearch: 18 02:04:20 -85.343600 0.000047 LBFGSLineSearch: 19 02:04:20 -85.343600 0.000051 LBFGSLineSearch: 20 02:04:20 -85.343600 0.000010 LBFGSLineSearch: 21 02:04:21 -85.343600 0.000007 Minimization converged after 21 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:27 -85.770406 0.030489 LBFGSLineSearch: 1 02:04:27 -85.770420 0.047384 LBFGSLineSearch: 2 02:04:28 -85.770440 0.090148 LBFGSLineSearch: 3 02:04:28 -85.770479 0.026656 LBFGSLineSearch: 4 02:04:29 -85.770480 0.008514 LBFGSLineSearch: 5 02:04:30 -85.770481 0.009348 LBFGSLineSearch: 6 02:04:30 -85.770488 0.010359 LBFGSLineSearch: 7 02:04:30 -85.770489 0.004752 LBFGSLineSearch: 8 02:04:31 -85.770492 0.004793 LBFGSLineSearch: 9 02:04:31 -85.770492 0.001687 LBFGSLineSearch: 10 02:04:31 -85.770493 0.001096 LBFGSLineSearch: 11 02:04:32 -85.770493 0.000836 LBFGSLineSearch: 12 02:04:33 -85.770493 0.000650 LBFGSLineSearch: 13 02:04:33 -85.770493 0.000729 LBFGSLineSearch: 14 02:04:33 -85.770493 0.000354 LBFGSLineSearch: 15 02:04:34 -85.770493 0.000620 LBFGSLineSearch: 16 02:04:35 -85.770493 0.000322 LBFGSLineSearch: 17 02:04:37 -85.770493 0.000088 LBFGSLineSearch: 18 02:04:38 -85.770493 0.000068 LBFGSLineSearch: 19 02:04:38 -85.770493 0.000038 LBFGSLineSearch: 20 02:04:38 -85.770493 0.000007 Minimization converged after 20 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:46 -86.197473 0.030503 LBFGSLineSearch: 1 02:04:46 -86.197487 0.047359 LBFGSLineSearch: 2 02:04:46 -86.197507 0.090293 LBFGSLineSearch: 3 02:04:47 -86.197546 0.026758 LBFGSLineSearch: 4 02:04:47 -86.197548 0.008476 LBFGSLineSearch: 5 02:04:47 -86.197548 0.009521 LBFGSLineSearch: 6 02:04:47 -86.197556 0.010246 LBFGSLineSearch: 7 02:04:47 -86.197556 0.004819 LBFGSLineSearch: 8 02:04:48 -86.197559 0.004784 LBFGSLineSearch: 9 02:04:48 -86.197560 0.001702 LBFGSLineSearch: 10 02:04:48 -86.197561 0.001086 LBFGSLineSearch: 11 02:04:48 -86.197561 0.000826 LBFGSLineSearch: 12 02:04:49 -86.197561 0.000647 LBFGSLineSearch: 13 02:04:49 -86.197561 0.000719 LBFGSLineSearch: 14 02:04:50 -86.197561 0.000349 LBFGSLineSearch: 15 02:04:50 -86.197561 0.000618 LBFGSLineSearch: 16 02:04:51 -86.197561 0.000321 LBFGSLineSearch: 17 02:04:51 -86.197561 0.000078 LBFGSLineSearch: 18 02:04:52 -86.197561 0.000055 LBFGSLineSearch: 19 02:04:52 -86.197561 0.000031 LBFGSLineSearch: 20 02:04:53 -86.197561 0.000006 Minimization converged after 20 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:02 -86.624717 0.030516 LBFGSLineSearch: 1 02:05:02 -86.624730 0.047323 LBFGSLineSearch: 2 02:05:03 -86.624751 0.090415 LBFGSLineSearch: 3 02:05:04 -86.624790 0.026848 LBFGSLineSearch: 4 02:05:04 -86.624791 0.008487 LBFGSLineSearch: 5 02:05:05 -86.624792 0.009584 LBFGSLineSearch: 6 02:05:05 -86.624799 0.010306 LBFGSLineSearch: 7 02:05:06 -86.624800 0.004932 LBFGSLineSearch: 8 02:05:06 -86.624803 0.004910 LBFGSLineSearch: 9 02:05:07 -86.624804 0.001724 LBFGSLineSearch: 10 02:05:07 -86.624804 0.001090 LBFGSLineSearch: 11 02:05:07 -86.624804 0.000828 LBFGSLineSearch: 12 02:05:08 -86.624805 0.000645 LBFGSLineSearch: 13 02:05:08 -86.624805 0.000719 LBFGSLineSearch: 14 02:05:09 -86.624805 0.000347 LBFGSLineSearch: 15 02:05:09 -86.624805 0.000637 LBFGSLineSearch: 16 02:05:10 -86.624805 0.000336 LBFGSLineSearch: 17 02:05:10 -86.624805 0.000082 LBFGSLineSearch: 18 02:05:10 -86.624805 0.000040 LBFGSLineSearch: 19 02:05:11 -86.624805 0.000022 LBFGSLineSearch: 20 02:05:11 -86.624805 0.000006 Minimization converged after 20 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:18 -87.052137 0.030529 LBFGSLineSearch: 1 02:05:19 -87.052150 0.047283 LBFGSLineSearch: 2 02:05:19 -87.052171 0.090528 LBFGSLineSearch: 3 02:05:20 -87.052210 0.026931 LBFGSLineSearch: 4 02:05:21 -87.052211 0.008511 LBFGSLineSearch: 5 02:05:21 -87.052212 0.009604 LBFGSLineSearch: 6 02:05:22 -87.052220 0.010435 LBFGSLineSearch: 7 02:05:23 -87.052220 0.005052 LBFGSLineSearch: 8 02:05:23 -87.052223 0.005085 LBFGSLineSearch: 9 02:05:23 -87.052224 0.001837 LBFGSLineSearch: 10 02:05:24 -87.052225 0.001098 LBFGSLineSearch: 11 02:05:24 -87.052225 0.000835 LBFGSLineSearch: 12 02:05:25 -87.052225 0.000644 LBFGSLineSearch: 13 02:05:25 -87.052225 0.000718 LBFGSLineSearch: 14 02:05:26 -87.052225 0.000345 LBFGSLineSearch: 15 02:05:26 -87.052225 0.000661 LBFGSLineSearch: 16 02:05:26 -87.052225 0.000146 LBFGSLineSearch: 17 02:05:27 -87.052225 0.000076 LBFGSLineSearch: 18 02:05:28 -87.052225 0.000013 LBFGSLineSearch: 19 02:05:28 -87.052225 0.000007 Minimization converged after 19 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:36 -87.479734 0.030544 LBFGSLineSearch: 1 02:05:36 -87.479748 0.047216 LBFGSLineSearch: 2 02:05:36 -87.479768 0.090872 LBFGSLineSearch: 3 02:05:37 -87.479808 0.026852 LBFGSLineSearch: 4 02:05:37 -87.479809 0.008587 LBFGSLineSearch: 5 02:05:37 -87.479810 0.009473 LBFGSLineSearch: 6 02:05:38 -87.479817 0.010772 LBFGSLineSearch: 7 02:05:39 -87.479818 0.005206 LBFGSLineSearch: 8 02:05:39 -87.479821 0.005336 LBFGSLineSearch: 9 02:05:39 -87.479822 0.002057 LBFGSLineSearch: 10 02:05:40 -87.479823 0.001114 LBFGSLineSearch: 11 02:05:40 -87.479823 0.000919 LBFGSLineSearch: 12 02:05:41 -87.479823 0.000601 LBFGSLineSearch: 13 02:05:41 -87.479823 0.000349 LBFGSLineSearch: 14 02:05:42 -87.479823 0.000192 LBFGSLineSearch: 15 02:05:42 -87.479823 0.000178 LBFGSLineSearch: 16 02:05:42 -87.479823 0.000069 LBFGSLineSearch: 17 02:05:42 -87.479823 0.000013 LBFGSLineSearch: 18 02:05:43 -87.479823 0.000009 Minimization converged after 18 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:49 -87.907510 0.030555 LBFGSLineSearch: 1 02:05:50 -87.907524 0.047209 LBFGSLineSearch: 2 02:05:50 -87.907544 0.090723 LBFGSLineSearch: 3 02:05:51 -87.907584 0.027131 LBFGSLineSearch: 4 02:05:51 -87.907585 0.008561 LBFGSLineSearch: 5 02:05:51 -87.907586 0.009640 LBFGSLineSearch: 6 02:05:52 -87.907594 0.010706 LBFGSLineSearch: 7 02:05:52 -87.907595 0.005297 LBFGSLineSearch: 8 02:05:52 -87.907598 0.005412 LBFGSLineSearch: 9 02:05:53 -87.907599 0.002108 LBFGSLineSearch: 10 02:05:53 -87.907599 0.001114 LBFGSLineSearch: 11 02:05:54 -87.907599 0.000919 LBFGSLineSearch: 12 02:05:54 -87.907599 0.000600 LBFGSLineSearch: 13 02:05:54 -87.907599 0.000350 LBFGSLineSearch: 14 02:05:54 -87.907600 0.000200 LBFGSLineSearch: 15 02:05:55 -87.907600 0.000185 LBFGSLineSearch: 16 02:05:55 -87.907600 0.000082 LBFGSLineSearch: 17 02:05:55 -87.907600 0.000028 LBFGSLineSearch: 18 02:05:56 -87.907600 0.000021 LBFGSLineSearch: 19 02:05:56 -87.907600 0.000006 Minimization converged after 19 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:03 -88.335465 0.030567 LBFGSLineSearch: 1 02:06:03 -88.335479 0.047169 LBFGSLineSearch: 2 02:06:03 -88.335500 0.090854 LBFGSLineSearch: 3 02:06:04 -88.335539 0.027219 LBFGSLineSearch: 4 02:06:04 -88.335541 0.008573 LBFGSLineSearch: 5 02:06:04 -88.335542 0.009689 LBFGSLineSearch: 6 02:06:05 -88.335549 0.010817 LBFGSLineSearch: 7 02:06:05 -88.335550 0.005398 LBFGSLineSearch: 8 02:06:06 -88.335553 0.005552 LBFGSLineSearch: 9 02:06:07 -88.335554 0.002222 LBFGSLineSearch: 10 02:06:07 -88.335555 0.001116 LBFGSLineSearch: 11 02:06:07 -88.335555 0.000919 LBFGSLineSearch: 12 02:06:08 -88.335555 0.000602 LBFGSLineSearch: 13 02:06:09 -88.335555 0.000348 LBFGSLineSearch: 14 02:06:09 -88.335555 0.000207 LBFGSLineSearch: 15 02:06:09 -88.335555 0.000190 LBFGSLineSearch: 16 02:06:10 -88.335555 0.000095 LBFGSLineSearch: 17 02:06:11 -88.335555 0.000045 LBFGSLineSearch: 18 02:06:11 -88.335555 0.000034 LBFGSLineSearch: 19 02:06:11 -88.335555 0.000005 Minimization converged after 19 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:19 -88.763601 0.030579 LBFGSLineSearch: 1 02:06:20 -88.763615 0.047132 LBFGSLineSearch: 2 02:06:20 -88.763635 0.090973 LBFGSLineSearch: 3 02:06:21 -88.763675 0.027322 LBFGSLineSearch: 4 02:06:21 -88.763677 0.008582 LBFGSLineSearch: 5 02:06:21 -88.763677 0.009739 LBFGSLineSearch: 6 02:06:22 -88.763685 0.010932 LBFGSLineSearch: 7 02:06:22 -88.763686 0.005491 LBFGSLineSearch: 8 02:06:22 -88.763689 0.005696 LBFGSLineSearch: 9 02:06:22 -88.763690 0.002341 LBFGSLineSearch: 10 02:06:22 -88.763691 0.001119 LBFGSLineSearch: 11 02:06:23 -88.763691 0.000920 LBFGSLineSearch: 12 02:06:23 -88.763691 0.000607 LBFGSLineSearch: 13 02:06:23 -88.763691 0.000348 LBFGSLineSearch: 14 02:06:24 -88.763691 0.000211 LBFGSLineSearch: 15 02:06:24 -88.763691 0.000196 LBFGSLineSearch: 16 02:06:24 -88.763691 0.000106 LBFGSLineSearch: 17 02:06:24 -88.763691 0.000060 LBFGSLineSearch: 18 02:06:25 -88.763691 0.000047 LBFGSLineSearch: 19 02:06:25 -88.763691 0.000005 Minimization converged after 19 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:31 -89.191918 0.030591 LBFGSLineSearch: 1 02:06:32 -89.191932 0.047096 LBFGSLineSearch: 2 02:06:34 -89.191952 0.091103 LBFGSLineSearch: 3 02:06:35 -89.191992 0.027436 LBFGSLineSearch: 4 02:06:35 -89.191994 0.008591 LBFGSLineSearch: 5 02:06:36 -89.191994 0.009785 LBFGSLineSearch: 6 02:06:36 -89.192002 0.011035 LBFGSLineSearch: 7 02:06:37 -89.192004 0.005590 LBFGSLineSearch: 8 02:06:37 -89.192007 0.005820 LBFGSLineSearch: 9 02:06:38 -89.192008 0.001729 LBFGSLineSearch: 10 02:06:38 -89.192008 0.000799 LBFGSLineSearch: 11 02:06:39 -89.192008 0.000464 LBFGSLineSearch: 12 02:06:39 -89.192008 0.001916 LBFGSLineSearch: 13 02:06:39 -89.192009 0.000363 LBFGSLineSearch: 14 02:06:40 -89.192009 0.000080 LBFGSLineSearch: 15 02:06:40 -89.192009 0.000249 LBFGSLineSearch: 16 02:06:42 -89.192009 0.000005 Minimization converged after 16 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:06:47 -89.620417 0.030604 LBFGSLineSearch: 1 02:06:48 -89.620431 0.047065 LBFGSLineSearch: 2 02:06:48 -89.620451 0.091198 LBFGSLineSearch: 3 02:06:49 -89.620492 0.027606 LBFGSLineSearch: 4 02:06:50 -89.620493 0.008607 LBFGSLineSearch: 5 02:06:51 -89.620494 0.009837 LBFGSLineSearch: 6 02:06:51 -89.620502 0.011088 LBFGSLineSearch: 7 02:06:52 -89.620503 0.005731 LBFGSLineSearch: 8 02:06:52 -89.620506 0.005892 LBFGSLineSearch: 9 02:06:53 -89.620507 0.001716 LBFGSLineSearch: 10 02:06:53 -89.620508 0.000792 LBFGSLineSearch: 11 02:06:54 -89.620508 0.000466 LBFGSLineSearch: 12 02:06:54 -89.620508 0.001868 LBFGSLineSearch: 13 02:06:55 -89.620508 0.000362 LBFGSLineSearch: 14 02:06:55 -89.620508 0.000092 LBFGSLineSearch: 15 02:06:56 -89.620508 0.000410 LBFGSLineSearch: 16 02:06:56 -89.620508 0.000015 LBFGSLineSearch: 17 02:06:57 -89.620508 0.000004 Minimization converged after 17 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:04 -90.049099 0.030617 LBFGSLineSearch: 1 02:07:04 -90.049113 0.047032 LBFGSLineSearch: 2 02:07:05 -90.049134 0.091315 LBFGSLineSearch: 3 02:07:05 -90.049174 0.027760 LBFGSLineSearch: 4 02:07:06 -90.049176 0.008616 LBFGSLineSearch: 5 02:07:06 -90.049176 0.009902 LBFGSLineSearch: 6 02:07:07 -90.049185 0.011151 LBFGSLineSearch: 7 02:07:07 -90.049186 0.005834 LBFGSLineSearch: 8 02:07:08 -90.049189 0.005958 LBFGSLineSearch: 9 02:07:09 -90.049190 0.001700 LBFGSLineSearch: 10 02:07:09 -90.049191 0.000786 LBFGSLineSearch: 11 02:07:10 -90.049191 0.000460 LBFGSLineSearch: 12 02:07:10 -90.049191 0.001872 LBFGSLineSearch: 13 02:07:11 -90.049191 0.000373 LBFGSLineSearch: 14 02:07:12 -90.049191 0.000103 LBFGSLineSearch: 15 02:07:12 -90.049191 0.000354 LBFGSLineSearch: 16 02:07:12 -90.049191 0.000005 Minimization converged after 16 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:19 -90.477966 0.030630 LBFGSLineSearch: 1 02:07:20 -90.477980 0.046967 LBFGSLineSearch: 2 02:07:20 -90.478001 0.091691 LBFGSLineSearch: 3 02:07:21 -90.478041 0.027779 LBFGSLineSearch: 4 02:07:22 -90.478043 0.008663 LBFGSLineSearch: 5 02:07:23 -90.478043 0.009895 LBFGSLineSearch: 6 02:07:24 -90.478052 0.011260 LBFGSLineSearch: 7 02:07:25 -90.478053 0.006074 LBFGSLineSearch: 8 02:07:25 -90.478056 0.006075 LBFGSLineSearch: 9 02:07:26 -90.478058 0.001676 LBFGSLineSearch: 10 02:07:26 -90.478058 0.000774 LBFGSLineSearch: 11 02:07:26 -90.478058 0.000472 LBFGSLineSearch: 12 02:07:27 -90.478058 0.001813 LBFGSLineSearch: 13 02:07:27 -90.478058 0.000348 LBFGSLineSearch: 14 02:07:28 -90.478058 0.000117 LBFGSLineSearch: 15 02:07:28 -90.478058 0.000355 LBFGSLineSearch: 16 02:07:30 -90.478058 0.000004 Minimization converged after 16 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:36 -90.907018 0.030642 LBFGSLineSearch: 1 02:07:36 -90.907032 0.046962 LBFGSLineSearch: 2 02:07:37 -90.907053 0.091570 LBFGSLineSearch: 3 02:07:37 -90.907094 0.028071 LBFGSLineSearch: 4 02:07:38 -90.907095 0.008648 LBFGSLineSearch: 5 02:07:38 -90.907096 0.010012 LBFGSLineSearch: 6 02:07:39 -90.907104 0.011272 LBFGSLineSearch: 7 02:07:39 -90.907106 0.006119 LBFGSLineSearch: 8 02:07:39 -90.907109 0.006098 LBFGSLineSearch: 9 02:07:40 -90.907110 0.001660 LBFGSLineSearch: 10 02:07:40 -90.907111 0.000762 LBFGSLineSearch: 11 02:07:42 -90.907111 0.000477 LBFGSLineSearch: 12 02:07:42 -90.907111 0.001756 LBFGSLineSearch: 13 02:07:43 -90.907111 0.000345 LBFGSLineSearch: 14 02:07:43 -90.907111 0.000128 LBFGSLineSearch: 15 02:07:45 -90.907111 0.000331 LBFGSLineSearch: 16 02:07:45 -90.907111 0.000006 Minimization converged after 16 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:07:51 -91.336257 0.030656 LBFGSLineSearch: 1 02:07:52 -91.336271 0.046870 LBFGSLineSearch: 2 02:07:52 -91.336292 0.092197 LBFGSLineSearch: 3 02:07:52 -91.336333 0.027955 LBFGSLineSearch: 4 02:07:53 -91.336334 0.008737 LBFGSLineSearch: 5 02:07:53 -91.336335 0.009926 LBFGSLineSearch: 6 02:07:53 -91.336344 0.011444 LBFGSLineSearch: 7 02:07:54 -91.336345 0.006483 LBFGSLineSearch: 8 02:07:54 -91.336348 0.006185 LBFGSLineSearch: 9 02:07:54 -91.336350 0.001627 LBFGSLineSearch: 10 02:07:55 -91.336350 0.000746 LBFGSLineSearch: 11 02:07:55 -91.336350 0.000494 LBFGSLineSearch: 12 02:07:55 -91.336350 0.001684 LBFGSLineSearch: 13 02:07:56 -91.336350 0.000353 LBFGSLineSearch: 14 02:07:56 -91.336350 0.000138 LBFGSLineSearch: 15 02:07:56 -91.336350 0.000361 LBFGSLineSearch: 16 02:07:57 -91.336350 0.000018 LBFGSLineSearch: 17 02:07:59 -91.336350 0.000003 Minimization converged after 17 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:07 -91.765684 0.030669 LBFGSLineSearch: 1 02:08:08 -91.765698 0.046876 LBFGSLineSearch: 2 02:08:09 -91.765719 0.091968 LBFGSLineSearch: 3 02:08:09 -91.765760 0.028310 LBFGSLineSearch: 4 02:08:09 -91.765761 0.008690 LBFGSLineSearch: 5 02:08:09 -91.765762 0.010112 LBFGSLineSearch: 6 02:08:10 -91.765771 0.011426 LBFGSLineSearch: 7 02:08:10 -91.765772 0.006398 LBFGSLineSearch: 8 02:08:11 -91.765775 0.006208 LBFGSLineSearch: 9 02:08:12 -91.765777 0.001612 LBFGSLineSearch: 10 02:08:12 -91.765777 0.000733 LBFGSLineSearch: 11 02:08:12 -91.765778 0.000497 LBFGSLineSearch: 12 02:08:13 -91.765778 0.001614 LBFGSLineSearch: 13 02:08:13 -91.765778 0.000364 LBFGSLineSearch: 14 02:08:14 -91.765778 0.000145 LBFGSLineSearch: 15 02:08:14 -91.765778 0.000331 LBFGSLineSearch: 16 02:08:14 -91.765778 0.000031 LBFGSLineSearch: 17 02:08:14 -91.765778 0.000003 Minimization converged after 17 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:20 -92.195299 0.030682 LBFGSLineSearch: 1 02:08:21 -92.195314 0.046833 LBFGSLineSearch: 2 02:08:21 -92.195334 0.092162 LBFGSLineSearch: 3 02:08:22 -92.195376 0.028441 LBFGSLineSearch: 4 02:08:23 -92.195377 0.008714 LBFGSLineSearch: 5 02:08:23 -92.195378 0.010162 LBFGSLineSearch: 6 02:08:24 -92.195387 0.011502 LBFGSLineSearch: 7 02:08:25 -92.195388 0.006553 LBFGSLineSearch: 8 02:08:26 -92.195391 0.006253 LBFGSLineSearch: 9 02:08:27 -92.195393 0.001586 LBFGSLineSearch: 10 02:08:27 -92.195394 0.000720 LBFGSLineSearch: 11 02:08:28 -92.195394 0.000499 LBFGSLineSearch: 12 02:08:28 -92.195394 0.001592 LBFGSLineSearch: 13 02:08:29 -92.195394 0.000372 LBFGSLineSearch: 14 02:08:29 -92.195394 0.000154 LBFGSLineSearch: 15 02:08:30 -92.195394 0.000336 LBFGSLineSearch: 16 02:08:30 -92.195394 0.000071 LBFGSLineSearch: 17 02:08:31 -92.195394 0.000003 Minimization converged after 17 steps. Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:37 -92.625105 0.030695 LBFGSLineSearch: 1 02:08:37 -92.625119 0.046782 LBFGSLineSearch: 2 02:08:37 -92.625141 0.092451 LBFGSLineSearch: 3 02:08:38 -92.625182 0.028523 LBFGSLineSearch: 4 02:08:38 -92.625184 0.008764 LBFGSLineSearch: 5 02:08:38 -92.625185 0.010157 LBFGSLineSearch: 6 02:08:39 -92.625193 0.011608 LBFGSLineSearch: 7 02:08:39 -92.625195 0.006799 LBFGSLineSearch: 8 02:08:40 -92.625198 0.006291 LBFGSLineSearch: 9 02:08:41 -92.625200 0.001553 LBFGSLineSearch: 10 02:08:42 -92.625200 0.000732 LBFGSLineSearch: 11 02:08:42 -92.625200 0.000553 LBFGSLineSearch: 12 02:08:42 -92.625200 0.001448 LBFGSLineSearch: 13 02:08:43 -92.625200 0.000379 LBFGSLineSearch: 14 02:08:43 -92.625200 0.000158 LBFGSLineSearch: 15 02:08:44 -92.625200 0.000390 LBFGSLineSearch: 16 02:08:44 -92.625200 0.000018 LBFGSLineSearch: 17 02:08:45 -92.625200 0.000003 Minimization converged after 17 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:08:51 -93.055102 0.030708 LBFGSLineSearch: 1 02:08:51 -93.055117 0.046748 LBFGSLineSearch: 2 02:08:52 -93.055138 0.092587 LBFGSLineSearch: 3 02:08:52 -93.055180 0.028695 LBFGSLineSearch: 4 02:08:52 -93.055181 0.008786 LBFGSLineSearch: 5 02:08:53 -93.055182 0.010216 LBFGSLineSearch: 6 02:08:53 -93.055191 0.011681 LBFGSLineSearch: 7 02:08:53 -93.055193 0.006947 LBFGSLineSearch: 8 02:08:53 -93.055196 0.006328 LBFGSLineSearch: 9 02:08:54 -93.055198 0.001522 LBFGSLineSearch: 10 02:08:54 -93.055198 0.000779 LBFGSLineSearch: 11 02:08:54 -93.055198 0.000607 LBFGSLineSearch: 12 02:08:54 -93.055198 0.000530 LBFGSLineSearch: 13 02:08:55 -93.055198 0.001392 LBFGSLineSearch: 14 02:08:55 -93.055198 0.000374 LBFGSLineSearch: 15 02:08:55 -93.055198 0.000416 LBFGSLineSearch: 16 02:08:55 -93.055198 0.000455 LBFGSLineSearch: 17 02:08:56 -93.055198 0.000171 LBFGSLineSearch: 18 02:08:56 -93.055198 0.000328 LBFGSLineSearch: 19 02:08:56 -93.055198 0.000079 LBFGSLineSearch: 20 02:08:57 -93.055198 0.000001 Minimization converged after 20 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:04 -93.485293 0.030722 LBFGSLineSearch: 1 02:09:04 -93.485307 0.046716 LBFGSLineSearch: 2 02:09:05 -93.485328 0.092647 LBFGSLineSearch: 3 02:09:05 -93.485370 0.028905 LBFGSLineSearch: 4 02:09:06 -93.485372 0.008780 LBFGSLineSearch: 5 02:09:07 -93.485373 0.010336 LBFGSLineSearch: 6 02:09:07 -93.485382 0.011712 LBFGSLineSearch: 7 02:09:08 -93.485383 0.006994 LBFGSLineSearch: 8 02:09:08 -93.485386 0.006360 LBFGSLineSearch: 9 02:09:08 -93.485389 0.001492 LBFGSLineSearch: 10 02:09:09 -93.485389 0.000829 LBFGSLineSearch: 11 02:09:09 -93.485389 0.000648 LBFGSLineSearch: 12 02:09:10 -93.485389 0.000546 LBFGSLineSearch: 13 02:09:10 -93.485389 0.001354 LBFGSLineSearch: 14 02:09:10 -93.485389 0.000403 LBFGSLineSearch: 15 02:09:10 -93.485389 0.000385 LBFGSLineSearch: 16 02:09:10 -93.485389 0.000447 LBFGSLineSearch: 17 02:09:11 -93.485389 0.000189 LBFGSLineSearch: 18 02:09:11 -93.485389 0.000144 LBFGSLineSearch: 19 02:09:11 -93.485389 0.000219 LBFGSLineSearch: 20 02:09:11 -93.485389 0.000052 LBFGSLineSearch: 21 02:09:11 -93.485389 0.000001 Minimization converged after 21 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:18 -93.915677 0.030735 LBFGSLineSearch: 1 02:09:18 -93.915691 0.046676 LBFGSLineSearch: 2 02:09:19 -93.915712 0.092802 LBFGSLineSearch: 3 02:09:19 -93.915755 0.029073 LBFGSLineSearch: 4 02:09:20 -93.915757 0.008801 LBFGSLineSearch: 5 02:09:21 -93.915757 0.010403 LBFGSLineSearch: 6 02:09:21 -93.915767 0.011777 LBFGSLineSearch: 7 02:09:21 -93.915768 0.007141 LBFGSLineSearch: 8 02:09:22 -93.915771 0.006386 LBFGSLineSearch: 9 02:09:22 -93.915773 0.001457 LBFGSLineSearch: 10 02:09:23 -93.915774 0.000879 LBFGSLineSearch: 11 02:09:23 -93.915774 0.000711 LBFGSLineSearch: 12 02:09:24 -93.915774 0.000543 LBFGSLineSearch: 13 02:09:24 -93.915774 0.001357 LBFGSLineSearch: 14 02:09:24 -93.915774 0.000413 LBFGSLineSearch: 15 02:09:25 -93.915774 0.000369 LBFGSLineSearch: 16 02:09:25 -93.915774 0.000450 LBFGSLineSearch: 17 02:09:25 -93.915774 0.000160 LBFGSLineSearch: 18 02:09:25 -93.915774 0.000161 LBFGSLineSearch: 19 02:09:26 -93.915774 0.000233 LBFGSLineSearch: 20 02:09:26 -93.915774 0.000026 LBFGSLineSearch: 21 02:09:27 -93.915774 0.000009 Minimization converged after 21 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:33 -94.346256 0.030744 LBFGSLineSearch: 1 02:09:34 -94.346271 0.046546 LBFGSLineSearch: 2 02:09:34 -94.346292 0.093209 LBFGSLineSearch: 3 02:09:34 -94.346335 0.029038 LBFGSLineSearch: 4 02:09:35 -94.346337 0.008791 LBFGSLineSearch: 5 02:09:35 -94.346337 0.010525 LBFGSLineSearch: 6 02:09:35 -94.346347 0.011929 LBFGSLineSearch: 7 02:09:35 -94.346348 0.007014 LBFGSLineSearch: 8 02:09:36 -94.346351 0.006450 LBFGSLineSearch: 9 02:09:36 -94.346354 0.001432 LBFGSLineSearch: 10 02:09:36 -94.346354 0.000917 LBFGSLineSearch: 11 02:09:37 -94.346354 0.000735 LBFGSLineSearch: 12 02:09:37 -94.346354 0.000534 LBFGSLineSearch: 13 02:09:38 -94.346354 0.001352 LBFGSLineSearch: 14 02:09:39 -94.346354 0.000382 LBFGSLineSearch: 15 02:09:39 -94.346354 0.000374 LBFGSLineSearch: 16 02:09:40 -94.346354 0.000457 LBFGSLineSearch: 17 02:09:40 -94.346354 0.000156 LBFGSLineSearch: 18 02:09:41 -94.346354 0.000172 LBFGSLineSearch: 19 02:09:41 -94.346354 0.000240 LBFGSLineSearch: 20 02:09:42 -94.346354 0.000041 LBFGSLineSearch: 21 02:09:42 -94.346354 0.000009 Minimization converged after 21 steps. Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:09:49 -94.777033 0.030759 LBFGSLineSearch: 1 02:09:49 -94.777048 0.046505 LBFGSLineSearch: 2 02:09:49 -94.777069 0.093368 LBFGSLineSearch: 3 02:09:49 -94.777112 0.029215 LBFGSLineSearch: 4 02:09:50 -94.777113 0.008822 LBFGSLineSearch: 5 02:09:50 -94.777114 0.010577 LBFGSLineSearch: 6 02:09:50 -94.777124 0.012015 LBFGSLineSearch: 7 02:09:51 -94.777125 0.007182 LBFGSLineSearch: 8 02:09:51 -94.777128 0.006490 LBFGSLineSearch: 9 02:09:52 -94.777131 0.001390 LBFGSLineSearch: 10 02:09:52 -94.777131 0.000978 LBFGSLineSearch: 11 02:09:52 -94.777131 0.000810 LBFGSLineSearch: 12 02:09:52 -94.777131 0.000501 LBFGSLineSearch: 13 02:09:53 -94.777131 0.001338 LBFGSLineSearch: 14 02:09:53 -94.777132 0.000438 LBFGSLineSearch: 15 02:09:53 -94.777132 0.000334 LBFGSLineSearch: 16 02:09:54 -94.777132 0.000443 LBFGSLineSearch: 17 02:09:54 -94.777132 0.000192 LBFGSLineSearch: 18 02:09:55 -94.777132 0.000210 LBFGSLineSearch: 19 02:09:55 -94.777132 0.000224 LBFGSLineSearch: 20 02:09:55 -94.777132 0.000031 LBFGSLineSearch: 21 02:09:56 -94.777132 0.000004 Minimization converged after 21 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:02 -95.208008 0.030775 LBFGSLineSearch: 1 02:10:02 -95.208022 0.046512 LBFGSLineSearch: 2 02:10:02 -95.208044 0.093400 LBFGSLineSearch: 3 02:10:03 -95.208087 0.029492 LBFGSLineSearch: 4 02:10:03 -95.208089 0.008858 LBFGSLineSearch: 5 02:10:04 -95.208089 0.010631 LBFGSLineSearch: 6 02:10:04 -95.208099 0.012042 LBFGSLineSearch: 7 02:10:04 -95.208100 0.007444 LBFGSLineSearch: 8 02:10:05 -95.208104 0.006501 LBFGSLineSearch: 9 02:10:05 -95.208106 0.001339 LBFGSLineSearch: 10 02:10:05 -95.208107 0.001033 LBFGSLineSearch: 11 02:10:05 -95.208107 0.000924 LBFGSLineSearch: 12 02:10:06 -95.208107 0.000480 LBFGSLineSearch: 13 02:10:06 -95.208107 0.001399 LBFGSLineSearch: 14 02:10:06 -95.208107 0.000432 LBFGSLineSearch: 15 02:10:06 -95.208107 0.000329 LBFGSLineSearch: 16 02:10:07 -95.208107 0.000457 LBFGSLineSearch: 17 02:10:07 -95.208107 0.000207 LBFGSLineSearch: 18 02:10:07 -95.208107 0.000231 LBFGSLineSearch: 19 02:10:07 -95.208107 0.000221 LBFGSLineSearch: 20 02:10:08 -95.208107 0.000027 LBFGSLineSearch: 21 02:10:08 -95.208107 0.000002 Minimization converged after 21 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:14 -95.639182 0.030791 LBFGSLineSearch: 1 02:10:14 -95.639197 0.046496 LBFGSLineSearch: 2 02:10:15 -95.639218 0.093477 LBFGSLineSearch: 3 02:10:15 -95.639262 0.029745 LBFGSLineSearch: 4 02:10:16 -95.639263 0.008888 LBFGSLineSearch: 5 02:10:16 -95.639264 0.010696 LBFGSLineSearch: 6 02:10:17 -95.639274 0.012076 LBFGSLineSearch: 7 02:10:18 -95.639275 0.007655 LBFGSLineSearch: 8 02:10:18 -95.639279 0.006517 LBFGSLineSearch: 9 02:10:19 -95.639282 0.001338 LBFGSLineSearch: 10 02:10:19 -95.639282 0.001113 LBFGSLineSearch: 11 02:10:19 -95.639282 0.001028 LBFGSLineSearch: 12 02:10:19 -95.639282 0.000422 LBFGSLineSearch: 13 02:10:20 -95.639282 0.001348 LBFGSLineSearch: 14 02:10:20 -95.639282 0.000401 LBFGSLineSearch: 15 02:10:20 -95.639282 0.000187 LBFGSLineSearch: 16 02:10:21 -95.639282 0.000041 LBFGSLineSearch: 17 02:10:21 -95.639282 0.000001 Minimization converged after 17 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:28 -96.070558 0.030807 LBFGSLineSearch: 1 02:10:29 -96.070573 0.046477 LBFGSLineSearch: 2 02:10:29 -96.070594 0.093564 LBFGSLineSearch: 3 02:10:29 -96.070638 0.029989 LBFGSLineSearch: 4 02:10:30 -96.070640 0.008917 LBFGSLineSearch: 5 02:10:30 -96.070640 0.010773 LBFGSLineSearch: 6 02:10:31 -96.070650 0.012118 LBFGSLineSearch: 7 02:10:32 -96.070652 0.007843 LBFGSLineSearch: 8 02:10:32 -96.070655 0.006538 LBFGSLineSearch: 9 02:10:32 -96.070658 0.001332 LBFGSLineSearch: 10 02:10:33 -96.070658 0.001188 LBFGSLineSearch: 11 02:10:33 -96.070659 0.001141 LBFGSLineSearch: 12 02:10:34 -96.070659 0.000419 LBFGSLineSearch: 13 02:10:35 -96.070659 0.001314 LBFGSLineSearch: 14 02:10:35 -96.070659 0.000411 LBFGSLineSearch: 15 02:10:35 -96.070659 0.000184 LBFGSLineSearch: 16 02:10:36 -96.070659 0.000021 LBFGSLineSearch: 17 02:10:37 -96.070659 0.000002 Minimization converged after 17 steps. Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:10:43 -96.502136 0.030822 LBFGSLineSearch: 1 02:10:45 -96.502151 0.046433 LBFGSLineSearch: 2 02:10:45 -96.502173 0.093719 LBFGSLineSearch: 3 02:10:46 -96.502217 0.030183 LBFGSLineSearch: 4 02:10:46 -96.502219 0.008938 LBFGSLineSearch: 5 02:10:47 -96.502219 0.010857 LBFGSLineSearch: 6 02:10:47 -96.502229 0.012186 LBFGSLineSearch: 7 02:10:48 -96.502231 0.007979 LBFGSLineSearch: 8 02:10:48 -96.502234 0.006577 LBFGSLineSearch: 9 02:10:49 -96.502237 0.001320 LBFGSLineSearch: 10 02:10:51 -96.502238 0.001261 LBFGSLineSearch: 11 02:10:51 -96.502238 0.001244 LBFGSLineSearch: 12 02:10:52 -96.502238 0.000430 LBFGSLineSearch: 13 02:10:53 -96.502238 0.001284 LBFGSLineSearch: 14 02:10:55 -96.502238 0.000417 LBFGSLineSearch: 15 02:10:56 -96.502238 0.000182 LBFGSLineSearch: 16 02:10:56 -96.502238 0.000026 LBFGSLineSearch: 17 02:10:57 -96.502238 0.000002 Minimization converged after 17 steps. Pressure: -39.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:03 -96.933919 0.030837 LBFGSLineSearch: 1 02:11:03 -96.933934 0.046390 LBFGSLineSearch: 2 02:11:04 -96.933956 0.093883 LBFGSLineSearch: 3 02:11:04 -96.934000 0.030379 LBFGSLineSearch: 4 02:11:05 -96.934002 0.008962 LBFGSLineSearch: 5 02:11:05 -96.934003 0.010947 LBFGSLineSearch: 6 02:11:05 -96.934013 0.012241 LBFGSLineSearch: 7 02:11:06 -96.934015 0.008119 LBFGSLineSearch: 8 02:11:06 -96.934018 0.006609 LBFGSLineSearch: 9 02:11:08 -96.934021 0.001313 LBFGSLineSearch: 10 02:11:09 -96.934022 0.001362 LBFGSLineSearch: 11 02:11:09 -96.934022 0.001352 LBFGSLineSearch: 12 02:11:10 -96.934022 0.000795 LBFGSLineSearch: 13 02:11:10 -96.934022 0.000417 LBFGSLineSearch: 14 02:11:11 -96.934022 0.000218 LBFGSLineSearch: 15 02:11:11 -96.934022 0.000249 LBFGSLineSearch: 16 02:11:11 -96.934022 0.000011 LBFGSLineSearch: 17 02:11:12 -96.934022 0.000003 Minimization converged after 17 steps. Pressure: -40.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:19 -97.365909 0.030852 LBFGSLineSearch: 1 02:11:19 -97.365924 0.046330 LBFGSLineSearch: 2 02:11:19 -97.365945 0.094286 LBFGSLineSearch: 3 02:11:20 -97.365990 0.030418 LBFGSLineSearch: 4 02:11:21 -97.365992 0.009016 LBFGSLineSearch: 5 02:11:21 -97.365992 0.010973 LBFGSLineSearch: 6 02:11:23 -97.366003 0.012386 LBFGSLineSearch: 7 02:11:25 -97.366004 0.008295 LBFGSLineSearch: 8 02:11:25 -97.366007 0.003250 LBFGSLineSearch: 9 02:11:26 -97.366010 0.004245 LBFGSLineSearch: 10 02:11:26 -97.366011 0.002614 LBFGSLineSearch: 11 02:11:26 -97.366011 0.001244 LBFGSLineSearch: 12 02:11:26 -97.366012 0.001629 LBFGSLineSearch: 13 02:11:27 -97.366012 0.000584 LBFGSLineSearch: 14 02:11:27 -97.366012 0.000443 LBFGSLineSearch: 15 02:11:28 -97.366012 0.000444 LBFGSLineSearch: 16 02:11:28 -97.366012 0.000294 LBFGSLineSearch: 17 02:11:29 -97.366012 0.000156 LBFGSLineSearch: 18 02:11:29 -97.366012 0.000202 LBFGSLineSearch: 19 02:11:30 -97.366012 0.000169 LBFGSLineSearch: 20 02:11:30 -97.366012 0.000049 LBFGSLineSearch: 21 02:11:30 -97.366012 0.000004 Minimization converged after 21 steps. Pressure: -40.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:38 -97.798106 0.030867 LBFGSLineSearch: 1 02:11:39 -97.798121 0.046296 LBFGSLineSearch: 2 02:11:40 -97.798142 0.094194 LBFGSLineSearch: 3 02:11:40 -97.798187 0.030792 LBFGSLineSearch: 4 02:11:40 -97.798189 0.009020 LBFGSLineSearch: 5 02:11:41 -97.798190 0.011103 LBFGSLineSearch: 6 02:11:41 -97.798200 0.012436 LBFGSLineSearch: 7 02:11:41 -97.798202 0.008369 LBFGSLineSearch: 8 02:11:42 -97.798206 0.006710 LBFGSLineSearch: 9 02:11:42 -97.798209 0.001296 LBFGSLineSearch: 10 02:11:42 -97.798209 0.001564 LBFGSLineSearch: 11 02:11:43 -97.798210 0.001598 LBFGSLineSearch: 12 02:11:44 -97.798210 0.000631 LBFGSLineSearch: 13 02:11:44 -97.798210 0.000594 LBFGSLineSearch: 14 02:11:44 -97.798210 0.000945 LBFGSLineSearch: 15 02:11:45 -97.798210 0.000293 LBFGSLineSearch: 16 02:11:45 -97.798210 0.000394 LBFGSLineSearch: 17 02:11:45 -97.798210 0.000234 LBFGSLineSearch: 18 02:11:46 -97.798210 0.000259 LBFGSLineSearch: 19 02:11:47 -97.798210 0.000029 LBFGSLineSearch: 20 02:11:47 -97.798210 0.000003 Minimization converged after 20 steps. Pressure: -41.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:11:54 -98.230512 0.030882 LBFGSLineSearch: 1 02:11:54 -98.230527 0.046266 LBFGSLineSearch: 2 02:11:55 -98.230549 0.094347 LBFGSLineSearch: 3 02:11:55 -98.230594 0.031011 LBFGSLineSearch: 4 02:11:56 -98.230596 0.009044 LBFGSLineSearch: 5 02:11:56 -98.230597 0.011216 LBFGSLineSearch: 6 02:11:57 -98.230608 0.012450 LBFGSLineSearch: 7 02:11:57 -98.230609 0.008529 LBFGSLineSearch: 8 02:11:58 -98.230612 0.003342 LBFGSLineSearch: 9 02:11:58 -98.230615 0.004369 LBFGSLineSearch: 10 02:11:58 -98.230617 0.002842 LBFGSLineSearch: 11 02:11:59 -98.230617 0.001381 LBFGSLineSearch: 12 02:12:00 -98.230617 0.001745 LBFGSLineSearch: 13 02:12:00 -98.230617 0.000631 LBFGSLineSearch: 14 02:12:01 -98.230617 0.000490 LBFGSLineSearch: 15 02:12:01 -98.230617 0.000421 LBFGSLineSearch: 16 02:12:01 -98.230617 0.000312 LBFGSLineSearch: 17 02:12:02 -98.230617 0.000149 LBFGSLineSearch: 18 02:12:02 -98.230617 0.000196 LBFGSLineSearch: 19 02:12:02 -98.230617 0.000126 LBFGSLineSearch: 20 02:12:03 -98.230617 0.000054 LBFGSLineSearch: 21 02:12:03 -98.230617 0.000003 Minimization converged after 21 steps. Pressure: -41.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:10 -98.663130 0.030897 LBFGSLineSearch: 1 02:12:10 -98.663146 0.046224 LBFGSLineSearch: 2 02:12:11 -98.663167 0.094498 LBFGSLineSearch: 3 02:12:12 -98.663213 0.031235 LBFGSLineSearch: 4 02:12:12 -98.663215 0.009071 LBFGSLineSearch: 5 02:12:13 -98.663216 0.011313 LBFGSLineSearch: 6 02:12:13 -98.663226 0.012520 LBFGSLineSearch: 7 02:12:14 -98.663228 0.008664 LBFGSLineSearch: 8 02:12:14 -98.663231 0.003387 LBFGSLineSearch: 9 02:12:15 -98.663234 0.004443 LBFGSLineSearch: 10 02:12:16 -98.663236 0.002979 LBFGSLineSearch: 11 02:12:16 -98.663236 0.001460 LBFGSLineSearch: 12 02:12:17 -98.663236 0.001810 LBFGSLineSearch: 13 02:12:17 -98.663236 0.000658 LBFGSLineSearch: 14 02:12:17 -98.663236 0.000512 LBFGSLineSearch: 15 02:12:17 -98.663237 0.000409 LBFGSLineSearch: 16 02:12:18 -98.663237 0.000321 LBFGSLineSearch: 17 02:12:18 -98.663237 0.000145 LBFGSLineSearch: 18 02:12:18 -98.663237 0.000192 LBFGSLineSearch: 19 02:12:18 -98.663237 0.000039 LBFGSLineSearch: 20 02:12:18 -98.663237 0.000004 Minimization converged after 20 steps. Pressure: -42.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:25 -99.095962 0.030913 LBFGSLineSearch: 1 02:12:25 -99.095977 0.046163 LBFGSLineSearch: 2 02:12:26 -99.095999 0.094677 LBFGSLineSearch: 3 02:12:26 -99.096045 0.031470 LBFGSLineSearch: 4 02:12:28 -99.096047 0.009093 LBFGSLineSearch: 5 02:12:28 -99.096048 0.011455 LBFGSLineSearch: 6 02:12:29 -99.096059 0.012618 LBFGSLineSearch: 7 02:12:29 -99.096060 0.008800 LBFGSLineSearch: 8 02:12:29 -99.096064 0.003462 LBFGSLineSearch: 9 02:12:30 -99.096067 0.004559 LBFGSLineSearch: 10 02:12:30 -99.096068 0.003161 LBFGSLineSearch: 11 02:12:30 -99.096069 0.001563 LBFGSLineSearch: 12 02:12:31 -99.096069 0.001888 LBFGSLineSearch: 13 02:12:31 -99.096069 0.000691 LBFGSLineSearch: 14 02:12:32 -99.096069 0.000538 LBFGSLineSearch: 15 02:12:32 -99.096069 0.000403 LBFGSLineSearch: 16 02:12:33 -99.096069 0.000334 LBFGSLineSearch: 17 02:12:33 -99.096069 0.000142 LBFGSLineSearch: 18 02:12:34 -99.096069 0.000202 LBFGSLineSearch: 19 02:12:34 -99.096069 0.000108 LBFGSLineSearch: 20 02:12:34 -99.096069 0.000050 LBFGSLineSearch: 21 02:12:35 -99.096069 0.000003 Minimization converged after 21 steps. Pressure: -42.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:12:42 -99.529010 0.030928 LBFGSLineSearch: 1 02:12:42 -99.529025 0.046140 LBFGSLineSearch: 2 02:12:42 -99.529047 0.094849 LBFGSLineSearch: 3 02:12:43 -99.529093 0.031751 LBFGSLineSearch: 4 02:12:43 -99.529095 0.009159 LBFGSLineSearch: 5 02:12:43 -99.529096 0.011598 LBFGSLineSearch: 6 02:12:44 -99.529107 0.012767 LBFGSLineSearch: 7 02:12:45 -99.529109 0.009071 LBFGSLineSearch: 8 02:12:46 -99.529113 0.003548 LBFGSLineSearch: 9 02:12:46 -99.529116 0.004714 LBFGSLineSearch: 10 02:12:46 -99.529118 0.003364 LBFGSLineSearch: 11 02:12:47 -99.529118 0.001688 LBFGSLineSearch: 12 02:12:48 -99.529118 0.001979 LBFGSLineSearch: 13 02:12:48 -99.529119 0.000732 LBFGSLineSearch: 14 02:12:49 -99.529119 0.000570 LBFGSLineSearch: 15 02:12:50 -99.529119 0.000398 LBFGSLineSearch: 16 02:12:50 -99.529119 0.000349 LBFGSLineSearch: 17 02:12:52 -99.529119 0.000139 LBFGSLineSearch: 18 02:12:54 -99.529119 0.000223 LBFGSLineSearch: 19 02:12:55 -99.529119 0.000181 LBFGSLineSearch: 20 02:12:56 -99.529119 0.000045 LBFGSLineSearch: 21 02:12:56 -99.529119 0.000003 Minimization converged after 21 steps. Pressure: -43.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:02 -99.962277 0.030943 LBFGSLineSearch: 1 02:13:03 -99.962293 0.046080 LBFGSLineSearch: 2 02:13:03 -99.962315 0.095081 LBFGSLineSearch: 3 02:13:04 -99.962361 0.032014 LBFGSLineSearch: 4 02:13:04 -99.962363 0.009202 LBFGSLineSearch: 5 02:13:05 -99.962364 0.011818 LBFGSLineSearch: 6 02:13:05 -99.962376 0.012854 LBFGSLineSearch: 7 02:13:07 -99.962378 0.009291 LBFGSLineSearch: 8 02:13:08 -99.962381 0.003651 LBFGSLineSearch: 9 02:13:09 -99.962384 0.004844 LBFGSLineSearch: 10 02:13:09 -99.962387 0.003590 LBFGSLineSearch: 11 02:13:10 -99.962387 0.001820 LBFGSLineSearch: 12 02:13:11 -99.962387 0.002069 LBFGSLineSearch: 13 02:13:11 -99.962388 0.000777 LBFGSLineSearch: 14 02:13:13 -99.962388 0.000602 LBFGSLineSearch: 15 02:13:14 -99.962388 0.000393 LBFGSLineSearch: 16 02:13:14 -99.962388 0.000361 LBFGSLineSearch: 17 02:13:15 -99.962388 0.000137 LBFGSLineSearch: 18 02:13:15 -99.962388 0.000245 LBFGSLineSearch: 19 02:13:16 -99.962388 0.000068 LBFGSLineSearch: 20 02:13:16 -99.962388 0.000019 LBFGSLineSearch: 21 02:13:17 -99.962388 0.000002 Minimization converged after 21 steps. Pressure: -43.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:24 -100.395768 0.030958 LBFGSLineSearch: 1 02:13:24 -100.395783 0.046058 LBFGSLineSearch: 2 02:13:25 -100.395805 0.095220 LBFGSLineSearch: 3 02:13:25 -100.395852 0.032317 LBFGSLineSearch: 4 02:13:26 -100.395854 0.009283 LBFGSLineSearch: 5 02:13:26 -100.395855 0.011953 LBFGSLineSearch: 6 02:13:26 -100.395867 0.013024 LBFGSLineSearch: 7 02:13:28 -100.395869 0.009603 LBFGSLineSearch: 8 02:13:28 -100.395873 0.003747 LBFGSLineSearch: 9 02:13:28 -100.395876 0.005023 LBFGSLineSearch: 10 02:13:29 -100.395879 0.003829 LBFGSLineSearch: 11 02:13:29 -100.395879 0.001976 LBFGSLineSearch: 12 02:13:29 -100.395879 0.002170 LBFGSLineSearch: 13 02:13:30 -100.395880 0.000824 LBFGSLineSearch: 14 02:13:30 -100.395880 0.000634 LBFGSLineSearch: 15 02:13:31 -100.395880 0.000389 LBFGSLineSearch: 16 02:13:31 -100.395880 0.000369 LBFGSLineSearch: 17 02:13:32 -100.395880 0.000147 LBFGSLineSearch: 18 02:13:32 -100.395880 0.000228 LBFGSLineSearch: 19 02:13:32 -100.395880 0.000044 LBFGSLineSearch: 20 02:13:32 -100.395880 0.000021 LBFGSLineSearch: 21 02:13:33 -100.395880 0.000000 Minimization converged after 21 steps. Pressure: -44.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:13:40 -100.829485 0.030972 LBFGSLineSearch: 1 02:13:40 -100.829500 0.046011 LBFGSLineSearch: 2 02:13:41 -100.829522 0.095412 LBFGSLineSearch: 3 02:13:41 -100.829570 0.032612 LBFGSLineSearch: 4 02:13:43 -100.829572 0.009346 LBFGSLineSearch: 5 02:13:44 -100.829573 0.012154 LBFGSLineSearch: 6 02:13:45 -100.829585 0.013145 LBFGSLineSearch: 7 02:13:45 -100.829587 0.009866 LBFGSLineSearch: 8 02:13:46 -100.829591 0.003858 LBFGSLineSearch: 9 02:13:47 -100.829595 0.005278 LBFGSLineSearch: 10 02:13:47 -100.829597 0.004090 LBFGSLineSearch: 11 02:13:47 -100.829598 0.002142 LBFGSLineSearch: 12 02:13:48 -100.829598 0.002280 LBFGSLineSearch: 13 02:13:48 -100.829598 0.000876 LBFGSLineSearch: 14 02:13:49 -100.829599 0.000668 LBFGSLineSearch: 15 02:13:50 -100.829599 0.000387 LBFGSLineSearch: 16 02:13:51 -100.829599 0.000366 LBFGSLineSearch: 17 02:13:52 -100.829599 0.000167 LBFGSLineSearch: 18 02:13:52 -100.829599 0.000290 LBFGSLineSearch: 19 02:13:53 -100.829599 0.000104 LBFGSLineSearch: 20 02:13:53 -100.829599 0.000001 Minimization converged after 20 steps. Pressure: -44.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:00 -101.263432 0.030989 LBFGSLineSearch: 1 02:14:00 -101.263447 0.045972 LBFGSLineSearch: 2 02:14:01 -101.263470 0.095582 LBFGSLineSearch: 3 02:14:01 -101.263517 0.032929 LBFGSLineSearch: 4 02:14:02 -101.263519 0.009438 LBFGSLineSearch: 5 02:14:02 -101.263520 0.012349 LBFGSLineSearch: 6 02:14:02 -101.263533 0.013285 LBFGSLineSearch: 7 02:14:03 -101.263535 0.010159 LBFGSLineSearch: 8 02:14:04 -101.263539 0.003975 LBFGSLineSearch: 9 02:14:05 -101.263544 0.008386 LBFGSLineSearch: 10 02:14:05 -101.263547 0.001928 LBFGSLineSearch: 11 02:14:06 -101.263547 0.001175 LBFGSLineSearch: 12 02:14:06 -101.263548 0.000959 LBFGSLineSearch: 13 02:14:07 -101.263548 0.000806 LBFGSLineSearch: 14 02:14:07 -101.263548 0.000400 LBFGSLineSearch: 15 02:14:08 -101.263548 0.000496 LBFGSLineSearch: 16 02:14:09 -101.263548 0.000149 LBFGSLineSearch: 17 02:14:10 -101.263548 0.000214 LBFGSLineSearch: 18 02:14:10 -101.263548 0.000153 LBFGSLineSearch: 19 02:14:11 -101.263548 0.000004 Minimization converged after 19 steps. Pressure: -45.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:18 -101.697614 0.031007 LBFGSLineSearch: 1 02:14:18 -101.697629 0.045925 LBFGSLineSearch: 2 02:14:19 -101.697652 0.095776 LBFGSLineSearch: 3 02:14:19 -101.697700 0.033245 LBFGSLineSearch: 4 02:14:20 -101.697702 0.009588 LBFGSLineSearch: 5 02:14:20 -101.697703 0.012557 LBFGSLineSearch: 6 02:14:20 -101.697716 0.013419 LBFGSLineSearch: 7 02:14:21 -101.697718 0.010473 LBFGSLineSearch: 8 02:14:21 -101.697723 0.004101 LBFGSLineSearch: 9 02:14:21 -101.697728 0.008799 LBFGSLineSearch: 10 02:14:22 -101.697730 0.002038 LBFGSLineSearch: 11 02:14:22 -101.697731 0.001213 LBFGSLineSearch: 12 02:14:23 -101.697731 0.001015 LBFGSLineSearch: 13 02:14:23 -101.697732 0.000837 LBFGSLineSearch: 14 02:14:24 -101.697732 0.000398 LBFGSLineSearch: 15 02:14:24 -101.697732 0.000473 LBFGSLineSearch: 16 02:14:25 -101.697732 0.000183 LBFGSLineSearch: 17 02:14:25 -101.697732 0.000220 LBFGSLineSearch: 18 02:14:26 -101.697732 0.000007 Minimization converged after 18 steps. Pressure: -45.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:33 -102.132034 0.031027 LBFGSLineSearch: 1 02:14:33 -102.132050 0.045858 LBFGSLineSearch: 2 02:14:34 -102.132072 0.096045 LBFGSLineSearch: 3 02:14:35 -102.132121 0.033508 LBFGSLineSearch: 4 02:14:36 -102.132123 0.009732 LBFGSLineSearch: 5 02:14:36 -102.132124 0.012759 LBFGSLineSearch: 6 02:14:37 -102.132138 0.013672 LBFGSLineSearch: 7 02:14:38 -102.132140 0.010697 LBFGSLineSearch: 8 02:14:38 -102.132145 0.004251 LBFGSLineSearch: 9 02:14:38 -102.132150 0.009189 LBFGSLineSearch: 10 02:14:39 -102.132153 0.002155 LBFGSLineSearch: 11 02:14:39 -102.132154 0.001327 LBFGSLineSearch: 12 02:14:39 -102.132154 0.001071 LBFGSLineSearch: 13 02:14:40 -102.132155 0.000877 LBFGSLineSearch: 14 02:14:40 -102.132155 0.000388 LBFGSLineSearch: 15 02:14:41 -102.132155 0.000375 LBFGSLineSearch: 16 02:14:41 -102.132155 0.000238 LBFGSLineSearch: 17 02:14:41 -102.132155 0.000214 LBFGSLineSearch: 18 02:14:42 -102.132155 0.000202 LBFGSLineSearch: 19 02:14:42 -102.132155 0.000010 Minimization converged after 19 steps. Pressure: -46.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:14:50 -102.566699 0.031045 LBFGSLineSearch: 1 02:14:50 -102.566715 0.045837 LBFGSLineSearch: 2 02:14:50 -102.566737 0.096116 LBFGSLineSearch: 3 02:14:51 -102.566786 0.033939 LBFGSLineSearch: 4 02:14:51 -102.566788 0.009902 LBFGSLineSearch: 5 02:14:51 -102.566789 0.013026 LBFGSLineSearch: 6 02:14:52 -102.566803 0.013693 LBFGSLineSearch: 7 02:14:52 -102.566806 0.011115 LBFGSLineSearch: 8 02:14:52 -102.566811 0.004394 LBFGSLineSearch: 9 02:14:52 -102.566817 0.009726 LBFGSLineSearch: 10 02:14:53 -102.566820 0.002276 LBFGSLineSearch: 11 02:14:55 -102.566821 0.001457 LBFGSLineSearch: 12 02:14:55 -102.566822 0.001128 LBFGSLineSearch: 13 02:14:56 -102.566822 0.000929 LBFGSLineSearch: 14 02:14:56 -102.566822 0.000507 LBFGSLineSearch: 15 02:14:56 -102.566822 0.000242 LBFGSLineSearch: 16 02:14:56 -102.566822 0.000285 LBFGSLineSearch: 17 02:14:57 -102.566822 0.000496 LBFGSLineSearch: 18 02:14:57 -102.566822 0.000204 LBFGSLineSearch: 19 02:14:57 -102.566822 0.000014 LBFGSLineSearch: 20 02:14:57 -102.566822 0.000001 Minimization converged after 20 steps. Pressure: -46.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:04 -103.001613 0.031056 LBFGSLineSearch: 1 02:15:05 -103.001629 0.045793 LBFGSLineSearch: 2 02:15:05 -103.001652 0.096304 LBFGSLineSearch: 3 02:15:06 -103.001701 0.034320 LBFGSLineSearch: 4 02:15:06 -103.001703 0.010071 LBFGSLineSearch: 5 02:15:07 -103.001704 0.013292 LBFGSLineSearch: 6 02:15:07 -103.001719 0.013798 LBFGSLineSearch: 7 02:15:08 -103.001721 0.011542 LBFGSLineSearch: 8 02:15:09 -103.001727 0.004558 LBFGSLineSearch: 9 02:15:09 -103.001734 0.010314 LBFGSLineSearch: 10 02:15:09 -103.001737 0.002416 LBFGSLineSearch: 11 02:15:10 -103.001739 0.001529 LBFGSLineSearch: 12 02:15:11 -103.001739 0.004411 LBFGSLineSearch: 13 02:15:11 -103.001739 0.001407 LBFGSLineSearch: 14 02:15:12 -103.001739 0.000685 LBFGSLineSearch: 15 02:15:13 -103.001739 0.002066 LBFGSLineSearch: 16 02:15:13 -103.001739 0.000320 LBFGSLineSearch: 17 02:15:14 -103.001739 0.000260 LBFGSLineSearch: 18 02:15:14 -103.001739 0.000027 LBFGSLineSearch: 19 02:15:15 -103.001739 0.000049 LBFGSLineSearch: 20 02:15:15 -103.001739 0.000003 Minimization converged after 20 steps. Pressure: -47.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:22 -103.436784 0.031078 LBFGSLineSearch: 1 02:15:23 -103.436800 0.045727 LBFGSLineSearch: 2 02:15:24 -103.436822 0.096690 LBFGSLineSearch: 3 02:15:24 -103.436872 0.034600 LBFGSLineSearch: 4 02:15:25 -103.436874 0.010247 LBFGSLineSearch: 5 02:15:25 -103.436876 0.013575 LBFGSLineSearch: 6 02:15:26 -103.436891 0.013953 LBFGSLineSearch: 7 02:15:26 -103.436893 0.011949 LBFGSLineSearch: 8 02:15:26 -103.436899 0.004744 LBFGSLineSearch: 9 02:15:27 -103.436907 0.010956 LBFGSLineSearch: 10 02:15:27 -103.436911 0.002572 LBFGSLineSearch: 11 02:15:28 -103.436912 0.001882 LBFGSLineSearch: 12 02:15:28 -103.436913 0.004895 LBFGSLineSearch: 13 02:15:29 -103.436913 0.001679 LBFGSLineSearch: 14 02:15:29 -103.436913 0.000804 LBFGSLineSearch: 15 02:15:30 -103.436913 0.002070 LBFGSLineSearch: 16 02:15:30 -103.436913 0.000395 LBFGSLineSearch: 17 02:15:30 -103.436913 0.000293 LBFGSLineSearch: 18 02:15:31 -103.436913 0.000496 LBFGSLineSearch: 19 02:15:31 -103.436913 0.000022 LBFGSLineSearch: 20 02:15:32 -103.436913 0.000011 LBFGSLineSearch: 21 02:15:33 -103.436913 0.000000 Minimization converged after 21 steps. Pressure: -47.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:15:39 -103.872218 0.031093 LBFGSLineSearch: 1 02:15:40 -103.872234 0.045694 LBFGSLineSearch: 2 02:15:41 -103.872257 0.096660 LBFGSLineSearch: 3 02:15:41 -103.872307 0.035144 LBFGSLineSearch: 4 02:15:42 -103.872309 0.010416 LBFGSLineSearch: 5 02:15:44 -103.872310 0.013874 LBFGSLineSearch: 6 02:15:44 -103.872326 0.014087 LBFGSLineSearch: 7 02:15:45 -103.872329 0.012412 LBFGSLineSearch: 8 02:15:46 -103.872335 0.004949 LBFGSLineSearch: 9 02:15:46 -103.872344 0.011702 LBFGSLineSearch: 10 02:15:47 -103.872348 0.002752 LBFGSLineSearch: 11 02:15:48 -103.872350 0.002341 LBFGSLineSearch: 12 02:15:49 -103.872351 0.005386 LBFGSLineSearch: 13 02:15:49 -103.872351 0.002000 LBFGSLineSearch: 14 02:15:50 -103.872351 0.000926 LBFGSLineSearch: 15 02:15:50 -103.872351 0.001961 LBFGSLineSearch: 16 02:15:51 -103.872352 0.000666 LBFGSLineSearch: 17 02:15:52 -103.872352 0.000383 LBFGSLineSearch: 18 02:15:52 -103.872352 0.000305 LBFGSLineSearch: 19 02:15:53 -103.872352 0.000701 LBFGSLineSearch: 20 02:15:53 -103.872352 0.000027 LBFGSLineSearch: 21 02:15:54 -103.872352 0.000013 LBFGSLineSearch: 22 02:15:55 -103.872352 0.000000 Minimization converged after 22 steps. Pressure: -48.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:02 -104.307925 0.031112 LBFGSLineSearch: 1 02:16:03 -104.307941 0.045645 LBFGSLineSearch: 2 02:16:04 -104.307963 0.096828 LBFGSLineSearch: 3 02:16:05 -104.308014 0.035600 LBFGSLineSearch: 4 02:16:06 -104.308016 0.010604 LBFGSLineSearch: 5 02:16:07 -104.308018 0.014208 LBFGSLineSearch: 6 02:16:08 -104.308034 0.014220 LBFGSLineSearch: 7 02:16:08 -104.308037 0.012927 LBFGSLineSearch: 8 02:16:08 -104.308044 0.005180 LBFGSLineSearch: 9 02:16:09 -104.308054 0.012560 LBFGSLineSearch: 10 02:16:11 -104.308059 0.002956 LBFGSLineSearch: 11 02:16:12 -104.308061 0.002853 LBFGSLineSearch: 12 02:16:12 -104.308062 0.005969 LBFGSLineSearch: 13 02:16:12 -104.308063 0.002255 LBFGSLineSearch: 14 02:16:12 -104.308063 0.001053 LBFGSLineSearch: 15 02:16:12 -104.308063 0.001955 LBFGSLineSearch: 16 02:16:12 -104.308063 0.001030 LBFGSLineSearch: 17 02:16:13 -104.308063 0.000377 LBFGSLineSearch: 18 02:16:13 -104.308063 0.000068 LBFGSLineSearch: 19 02:16:13 -104.308063 0.000038 LBFGSLineSearch: 20 02:16:13 -104.308063 0.000034 LBFGSLineSearch: 21 02:16:14 -104.308063 0.000000 Minimization converged after 21 steps. Pressure: -48.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:20 -104.743914 0.031132 LBFGSLineSearch: 1 02:16:21 -104.743930 0.045593 LBFGSLineSearch: 2 02:16:22 -104.743953 0.096993 LBFGSLineSearch: 3 02:16:24 -104.744004 0.036084 LBFGSLineSearch: 4 02:16:24 -104.744007 0.010802 LBFGSLineSearch: 5 02:16:25 -104.744008 0.014564 LBFGSLineSearch: 6 02:16:25 -104.744026 0.014339 LBFGSLineSearch: 7 02:16:26 -104.744029 0.013523 LBFGSLineSearch: 8 02:16:26 -104.744036 0.005438 LBFGSLineSearch: 9 02:16:27 -104.744047 0.013594 LBFGSLineSearch: 10 02:16:27 -104.744053 0.003192 LBFGSLineSearch: 11 02:16:27 -104.744056 0.003543 LBFGSLineSearch: 12 02:16:28 -104.744057 0.006599 LBFGSLineSearch: 13 02:16:28 -104.744058 0.001565 LBFGSLineSearch: 14 02:16:29 -104.744058 0.000712 LBFGSLineSearch: 15 02:16:29 -104.744058 0.000530 LBFGSLineSearch: 16 02:16:30 -104.744058 0.000462 LBFGSLineSearch: 17 02:16:31 -104.744058 0.000512 LBFGSLineSearch: 18 02:16:32 -104.744058 0.000045 LBFGSLineSearch: 19 02:16:33 -104.744058 0.000095 LBFGSLineSearch: 20 02:16:33 -104.744058 0.000001 Minimization converged after 20 steps. Pressure: -49.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:41 -105.180200 0.031153 LBFGSLineSearch: 1 02:16:41 -105.180216 0.045533 LBFGSLineSearch: 2 02:16:41 -105.180239 0.097169 LBFGSLineSearch: 3 02:16:42 -105.180290 0.036578 LBFGSLineSearch: 4 02:16:42 -105.180293 0.011013 LBFGSLineSearch: 5 02:16:42 -105.180294 0.014945 LBFGSLineSearch: 6 02:16:43 -105.180313 0.014569 LBFGSLineSearch: 7 02:16:43 -105.180316 0.014108 LBFGSLineSearch: 8 02:16:43 -105.180324 0.005737 LBFGSLineSearch: 9 02:16:44 -105.180336 0.014861 LBFGSLineSearch: 10 02:16:44 -105.180344 0.003488 LBFGSLineSearch: 11 02:16:45 -105.180348 0.004488 LBFGSLineSearch: 12 02:16:46 -105.180349 0.007592 LBFGSLineSearch: 13 02:16:46 -105.180350 0.001749 LBFGSLineSearch: 14 02:16:47 -105.180350 0.000794 LBFGSLineSearch: 15 02:16:47 -105.180351 0.000600 LBFGSLineSearch: 16 02:16:48 -105.180351 0.000529 LBFGSLineSearch: 17 02:16:49 -105.180351 0.000513 LBFGSLineSearch: 18 02:16:50 -105.180351 0.000055 LBFGSLineSearch: 19 02:16:51 -105.180351 0.000077 LBFGSLineSearch: 20 02:16:51 -105.180351 0.000016 LBFGSLineSearch: 21 02:16:52 -105.180351 0.000000 Minimization converged after 21 steps. Pressure: -49.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:16:58 -105.616798 0.031175 LBFGSLineSearch: 1 02:16:58 -105.616814 0.045485 LBFGSLineSearch: 2 02:16:59 -105.616836 0.097334 LBFGSLineSearch: 3 02:17:00 -105.616889 0.037173 LBFGSLineSearch: 4 02:17:01 -105.616891 0.011212 LBFGSLineSearch: 5 02:17:01 -105.616893 0.015305 LBFGSLineSearch: 6 02:17:01 -105.616912 0.014631 LBFGSLineSearch: 7 02:17:02 -105.616916 0.015133 LBFGSLineSearch: 8 02:17:02 -105.616925 0.006016 LBFGSLineSearch: 9 02:17:02 -105.616939 0.016635 LBFGSLineSearch: 10 02:17:02 -105.616949 0.003975 LBFGSLineSearch: 11 02:17:03 -105.616954 0.005788 LBFGSLineSearch: 12 02:17:03 -105.616956 0.008758 LBFGSLineSearch: 13 02:17:04 -105.616957 0.002010 LBFGSLineSearch: 14 02:17:05 -105.616958 0.000931 LBFGSLineSearch: 15 02:17:05 -105.616958 0.000821 LBFGSLineSearch: 16 02:17:06 -105.616958 0.000602 LBFGSLineSearch: 17 02:17:06 -105.616958 0.000614 LBFGSLineSearch: 18 02:17:07 -105.616958 0.000172 LBFGSLineSearch: 19 02:17:08 -105.616958 0.000071 LBFGSLineSearch: 20 02:17:10 -105.616958 0.000073 LBFGSLineSearch: 21 02:17:11 -105.616958 0.000017 LBFGSLineSearch: 22 02:17:12 -105.616958 0.000000 Minimization converged after 22 steps. Pressure: -50.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:20 -106.053731 0.031198 LBFGSLineSearch: 1 02:17:20 -106.053747 0.045425 LBFGSLineSearch: 2 02:17:20 -106.053770 0.097588 LBFGSLineSearch: 3 02:17:21 -106.053823 0.037808 LBFGSLineSearch: 4 02:17:21 -106.053826 0.011393 LBFGSLineSearch: 5 02:17:21 -106.053828 0.015652 LBFGSLineSearch: 6 02:17:22 -106.053848 0.014777 LBFGSLineSearch: 7 02:17:22 -106.053852 0.016448 LBFGSLineSearch: 8 02:17:22 -106.053862 0.006552 LBFGSLineSearch: 9 02:17:23 -106.053879 0.018939 LBFGSLineSearch: 10 02:17:23 -106.053893 0.004782 LBFGSLineSearch: 11 02:17:23 -106.053899 0.007593 LBFGSLineSearch: 12 02:17:24 -106.053903 0.010073 LBFGSLineSearch: 13 02:17:24 -106.053904 0.002373 LBFGSLineSearch: 14 02:17:24 -106.053905 0.001186 LBFGSLineSearch: 15 02:17:25 -106.053906 0.002954 LBFGSLineSearch: 16 02:17:25 -106.053906 0.000659 LBFGSLineSearch: 17 02:17:26 -106.053906 0.002746 LBFGSLineSearch: 18 02:17:26 -106.053906 0.000090 LBFGSLineSearch: 19 02:17:27 -106.053906 0.000103 LBFGSLineSearch: 20 02:17:27 -106.053906 0.000040 LBFGSLineSearch: 21 02:17:28 -106.053906 0.000010 Minimization converged after 21 steps. Pressure: -50.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:36 -106.491036 0.031229 LBFGSLineSearch: 1 02:17:36 -106.491052 0.045381 LBFGSLineSearch: 2 02:17:37 -106.491075 0.097744 LBFGSLineSearch: 3 02:17:38 -106.491129 0.038604 LBFGSLineSearch: 4 02:17:38 -106.491132 0.011604 LBFGSLineSearch: 5 02:17:39 -106.491133 0.016140 LBFGSLineSearch: 6 02:17:39 -106.491155 0.014798 LBFGSLineSearch: 7 02:17:39 -106.491159 0.018045 LBFGSLineSearch: 8 02:17:40 -106.491172 0.007259 LBFGSLineSearch: 9 02:17:40 -106.491193 0.022097 LBFGSLineSearch: 10 02:17:41 -106.491212 0.005958 LBFGSLineSearch: 11 02:17:42 -106.491222 0.010756 LBFGSLineSearch: 12 02:17:43 -106.491227 0.011302 LBFGSLineSearch: 13 02:17:43 -106.491231 0.003270 LBFGSLineSearch: 14 02:17:44 -106.491232 0.001988 LBFGSLineSearch: 15 02:17:44 -106.491233 0.005237 LBFGSLineSearch: 16 02:17:45 -106.491234 0.001033 LBFGSLineSearch: 17 02:17:46 -106.491235 0.005370 LBFGSLineSearch: 18 02:17:47 -106.491235 0.001624 LBFGSLineSearch: 19 02:17:47 -106.491235 0.000141 LBFGSLineSearch: 20 02:17:48 -106.491235 0.000671 LBFGSLineSearch: 21 02:17:48 -106.491235 0.000172 LBFGSLineSearch: 22 02:17:49 -106.491235 0.000000 Minimization converged after 22 steps. Pressure: -51.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:17:55 -106.928774 0.031253 LBFGSLineSearch: 1 02:17:55 -106.928791 0.045282 LBFGSLineSearch: 2 02:17:56 -106.928814 0.098069 LBFGSLineSearch: 3 02:17:57 -106.928869 0.039454 LBFGSLineSearch: 4 02:17:58 -106.928872 0.011837 LBFGSLineSearch: 5 02:17:58 -106.928873 0.016555 LBFGSLineSearch: 6 02:17:59 -106.928896 0.015077 LBFGSLineSearch: 7 02:17:59 -106.928901 0.020359 LBFGSLineSearch: 8 02:18:00 -106.928917 0.008228 LBFGSLineSearch: 9 02:18:01 -106.928946 0.027540 LBFGSLineSearch: 10 02:18:02 -106.928976 0.008067 LBFGSLineSearch: 11 02:18:03 -106.928996 0.017528 LBFGSLineSearch: 12 02:18:03 -106.929008 0.014993 LBFGSLineSearch: 13 02:18:03 -106.929018 0.006232 LBFGSLineSearch: 14 02:18:04 -106.929022 0.006822 LBFGSLineSearch: 15 02:18:04 -106.929023 0.006429 LBFGSLineSearch: 16 02:18:05 -106.929027 0.004143 LBFGSLineSearch: 17 02:18:05 -106.929028 0.001718 LBFGSLineSearch: 18 02:18:06 -106.929028 0.002692 LBFGSLineSearch: 19 02:18:06 -106.929029 0.000290 LBFGSLineSearch: 20 02:18:07 -106.929029 0.000263 LBFGSLineSearch: 21 02:18:07 -106.929029 0.000255 LBFGSLineSearch: 22 02:18:09 -106.929029 0.000025 LBFGSLineSearch: 23 02:18:09 -106.929029 0.000000 Minimization converged after 23 steps. Pressure: -51.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:16 -107.367123 0.031292 LBFGSLineSearch: 1 02:18:17 -107.367140 0.045182 LBFGSLineSearch: 2 02:18:18 -107.367163 0.098261 LBFGSLineSearch: 3 02:18:18 -107.367219 0.040855 LBFGSLineSearch: 4 02:18:19 -107.367222 0.012158 LBFGSLineSearch: 5 02:18:19 -107.367224 0.017274 LBFGSLineSearch: 6 02:18:20 -107.367257 0.029046 LBFGSLineSearch: 7 02:18:21 -107.367261 0.016020 LBFGSLineSearch: 8 02:18:21 -107.367302 0.046579 LBFGSLineSearch: 9 02:18:22 -107.367395 0.021165 LBFGSLineSearch: 10 02:18:22 -107.367439 0.037319 LBFGSLineSearch: 11 02:18:23 -107.386760 2.324459 LBFGSLineSearch: 12 02:18:24 -107.386769 2.358894 LBFGSLineSearch: 13 02:18:25 -107.415632 1.820942 LBFGSLineSearch: 14 02:18:26 -107.458874 1.378710 LBFGSLineSearch: 15 02:18:26 -107.470566 1.716686 LBFGSLineSearch: 16 02:18:27 -107.484478 0.444147 LBFGSLineSearch: 17 02:18:27 -107.491443 0.354267 LBFGSLineSearch: 18 02:18:27 -107.494747 0.349475 LBFGSLineSearch: 19 02:18:28 -107.497617 0.326777 LBFGSLineSearch: 20 02:18:28 -107.498517 0.151569 LBFGSLineSearch: 21 02:18:28 -107.498833 0.109742 LBFGSLineSearch: 22 02:18:28 -107.499146 0.197290 LBFGSLineSearch: 23 02:18:29 -107.499890 0.124842 LBFGSLineSearch: 24 02:18:29 -107.500145 0.051190 LBFGSLineSearch: 25 02:18:30 -107.500173 0.015498 LBFGSLineSearch: 26 02:18:30 -107.500175 0.004787 LBFGSLineSearch: 27 02:18:31 -107.500177 0.012285 LBFGSLineSearch: 28 02:18:31 -107.500186 0.002641 LBFGSLineSearch: 29 02:18:31 -107.500187 0.003477 LBFGSLineSearch: 30 02:18:32 -107.500189 0.004780 LBFGSLineSearch: 31 02:18:32 -107.500189 0.000684 LBFGSLineSearch: 32 02:18:33 -107.500189 0.000008 Minimization converged after 32 steps. Pressure: -52.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:40 -107.948021 0.031995 LBFGSLineSearch: 1 02:18:40 -107.948038 0.043640 LBFGSLineSearch: 2 02:18:41 -107.948063 0.101625 LBFGSLineSearch: 3 02:18:41 -107.948123 0.057797 LBFGSLineSearch: 4 02:18:42 -107.948129 0.015909 LBFGSLineSearch: 5 02:18:42 -107.948130 0.007405 LBFGSLineSearch: 6 02:18:43 -107.948134 0.016600 LBFGSLineSearch: 7 02:18:43 -107.948141 0.017421 LBFGSLineSearch: 8 02:18:44 -107.948146 0.008216 LBFGSLineSearch: 9 02:18:44 -107.948150 0.010232 LBFGSLineSearch: 10 02:18:45 -107.948157 0.004025 LBFGSLineSearch: 11 02:18:45 -107.948158 0.003977 LBFGSLineSearch: 12 02:18:46 -107.948158 0.001064 LBFGSLineSearch: 13 02:18:46 -107.948158 0.000803 LBFGSLineSearch: 14 02:18:47 -107.948158 0.002855 LBFGSLineSearch: 15 02:18:47 -107.948158 0.000327 LBFGSLineSearch: 16 02:18:47 -107.948158 0.000193 LBFGSLineSearch: 17 02:18:48 -107.948158 0.000115 LBFGSLineSearch: 18 02:18:48 -107.948158 0.000069 LBFGSLineSearch: 19 02:18:48 -107.948158 0.000100 LBFGSLineSearch: 20 02:18:49 -107.948158 0.000007 Minimization converged after 20 steps. Pressure: -52.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:18:55 -108.396266 0.032014 LBFGSLineSearch: 1 02:18:56 -108.396283 0.043613 LBFGSLineSearch: 2 02:18:56 -108.396308 0.101827 LBFGSLineSearch: 3 02:18:56 -108.396370 0.058544 LBFGSLineSearch: 4 02:18:57 -108.396375 0.016018 LBFGSLineSearch: 5 02:18:57 -108.396376 0.007504 LBFGSLineSearch: 6 02:18:57 -108.396381 0.016725 LBFGSLineSearch: 7 02:18:58 -108.396388 0.017503 LBFGSLineSearch: 8 02:18:59 -108.396393 0.008331 LBFGSLineSearch: 9 02:18:59 -108.396396 0.005944 LBFGSLineSearch: 10 02:18:59 -108.396400 0.009728 LBFGSLineSearch: 11 02:19:00 -108.396404 0.002384 LBFGSLineSearch: 12 02:19:00 -108.396405 0.000766 LBFGSLineSearch: 13 02:19:01 -108.396405 0.003189 LBFGSLineSearch: 14 02:19:01 -108.396405 0.000331 LBFGSLineSearch: 15 02:19:01 -108.396405 0.001901 LBFGSLineSearch: 16 02:19:02 -108.396405 0.000419 LBFGSLineSearch: 17 02:19:02 -108.396405 0.000548 LBFGSLineSearch: 18 02:19:03 -108.396405 0.000079 LBFGSLineSearch: 19 02:19:03 -108.396405 0.000348 LBFGSLineSearch: 20 02:19:04 -108.396405 0.000047 LBFGSLineSearch: 21 02:19:04 -108.396405 0.000007 Minimization converged after 21 steps. Pressure: -53.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:12 -108.844791 0.032035 LBFGSLineSearch: 1 02:19:12 -108.844809 0.043565 LBFGSLineSearch: 2 02:19:12 -108.844834 0.102202 LBFGSLineSearch: 3 02:19:13 -108.844896 0.059253 LBFGSLineSearch: 4 02:19:13 -108.844902 0.016172 LBFGSLineSearch: 5 02:19:14 -108.844903 0.007660 LBFGSLineSearch: 6 02:19:14 -108.844907 0.016960 LBFGSLineSearch: 7 02:19:14 -108.844914 0.017604 LBFGSLineSearch: 8 02:19:14 -108.844920 0.008509 LBFGSLineSearch: 9 02:19:15 -108.844923 0.005945 LBFGSLineSearch: 10 02:19:15 -108.844927 0.009536 LBFGSLineSearch: 11 02:19:15 -108.844931 0.002595 LBFGSLineSearch: 12 02:19:15 -108.844932 0.000781 LBFGSLineSearch: 13 02:19:16 -108.844932 0.003333 LBFGSLineSearch: 14 02:19:16 -108.844932 0.000328 LBFGSLineSearch: 15 02:19:16 -108.844932 0.001688 LBFGSLineSearch: 16 02:19:17 -108.844932 0.000379 LBFGSLineSearch: 17 02:19:17 -108.844932 0.000490 LBFGSLineSearch: 18 02:19:17 -108.844932 0.000101 LBFGSLineSearch: 19 02:19:17 -108.844932 0.000466 LBFGSLineSearch: 20 02:19:18 -108.844932 0.000033 LBFGSLineSearch: 21 02:19:18 -108.844932 0.000008 Minimization converged after 21 steps. Pressure: -53.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:25 -109.293600 0.032056 LBFGSLineSearch: 1 02:19:25 -109.293617 0.043522 LBFGSLineSearch: 2 02:19:26 -109.293643 0.102610 LBFGSLineSearch: 3 02:19:26 -109.293706 0.060013 LBFGSLineSearch: 4 02:19:27 -109.293712 0.016329 LBFGSLineSearch: 5 02:19:27 -109.293713 0.007834 LBFGSLineSearch: 6 02:19:28 -109.293717 0.017196 LBFGSLineSearch: 7 02:19:29 -109.293724 0.017775 LBFGSLineSearch: 8 02:19:30 -109.293730 0.008745 LBFGSLineSearch: 9 02:19:30 -109.293733 0.005929 LBFGSLineSearch: 10 02:19:31 -109.293737 0.009385 LBFGSLineSearch: 11 02:19:31 -109.293741 0.002698 LBFGSLineSearch: 12 02:19:31 -109.293742 0.000813 LBFGSLineSearch: 13 02:19:32 -109.293742 0.003431 LBFGSLineSearch: 14 02:19:32 -109.293742 0.000314 LBFGSLineSearch: 15 02:19:32 -109.293742 0.001732 LBFGSLineSearch: 16 02:19:33 -109.293742 0.000398 LBFGSLineSearch: 17 02:19:33 -109.293742 0.000514 LBFGSLineSearch: 18 02:19:33 -109.293742 0.000082 LBFGSLineSearch: 19 02:19:34 -109.293742 0.000363 LBFGSLineSearch: 20 02:19:35 -109.293742 0.000030 LBFGSLineSearch: 21 02:19:35 -109.293742 0.000010 Minimization converged after 21 steps. Pressure: -54.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:19:41 -109.742695 0.032078 LBFGSLineSearch: 1 02:19:41 -109.742712 0.043482 LBFGSLineSearch: 2 02:19:42 -109.742738 0.103040 LBFGSLineSearch: 3 02:19:42 -109.742802 0.060920 LBFGSLineSearch: 4 02:19:43 -109.742808 0.016512 LBFGSLineSearch: 5 02:19:43 -109.742810 0.008005 LBFGSLineSearch: 6 02:19:44 -109.742814 0.017462 LBFGSLineSearch: 7 02:19:44 -109.742821 0.018039 LBFGSLineSearch: 8 02:19:45 -109.742826 0.009062 LBFGSLineSearch: 9 02:19:45 -109.742830 0.005865 LBFGSLineSearch: 10 02:19:46 -109.742834 0.009268 LBFGSLineSearch: 11 02:19:46 -109.742838 0.002691 LBFGSLineSearch: 12 02:19:47 -109.742839 0.000837 LBFGSLineSearch: 13 02:19:47 -109.742839 0.003566 LBFGSLineSearch: 14 02:19:48 -109.742839 0.000312 LBFGSLineSearch: 15 02:19:48 -109.742839 0.001679 LBFGSLineSearch: 16 02:19:49 -109.742839 0.000433 LBFGSLineSearch: 17 02:19:50 -109.742839 0.000403 LBFGSLineSearch: 18 02:19:51 -109.742839 0.000095 LBFGSLineSearch: 19 02:19:52 -109.742839 0.000317 LBFGSLineSearch: 20 02:19:53 -109.742839 0.000060 LBFGSLineSearch: 21 02:19:53 -109.742839 0.000011 LBFGSLineSearch: 22 02:19:54 -109.742839 0.000001 Minimization converged after 22 steps. Pressure: -54.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:02 -110.192081 0.032089 LBFGSLineSearch: 1 02:20:02 -110.192098 0.043471 LBFGSLineSearch: 2 02:20:03 -110.192124 0.103573 LBFGSLineSearch: 3 02:20:04 -110.192189 0.061680 LBFGSLineSearch: 4 02:20:04 -110.192196 0.016677 LBFGSLineSearch: 5 02:20:05 -110.192197 0.008165 LBFGSLineSearch: 6 02:20:05 -110.192201 0.017686 LBFGSLineSearch: 7 02:20:06 -110.192208 0.018298 LBFGSLineSearch: 8 02:20:06 -110.192214 0.009343 LBFGSLineSearch: 9 02:20:07 -110.192217 0.005836 LBFGSLineSearch: 10 02:20:07 -110.192221 0.009219 LBFGSLineSearch: 11 02:20:07 -110.192225 0.002695 LBFGSLineSearch: 12 02:20:08 -110.192226 0.000872 LBFGSLineSearch: 13 02:20:08 -110.192227 0.003693 LBFGSLineSearch: 14 02:20:09 -110.192227 0.000284 LBFGSLineSearch: 15 02:20:10 -110.192227 0.001499 LBFGSLineSearch: 16 02:20:10 -110.192227 0.000545 LBFGSLineSearch: 17 02:20:11 -110.192227 0.000210 LBFGSLineSearch: 18 02:20:12 -110.192227 0.000371 LBFGSLineSearch: 19 02:20:12 -110.192227 0.000175 LBFGSLineSearch: 20 02:20:13 -110.192227 0.000209 LBFGSLineSearch: 21 02:20:13 -110.192227 0.000023 LBFGSLineSearch: 22 02:20:14 -110.192227 0.000013 LBFGSLineSearch: 23 02:20:14 -110.192227 0.000000 Minimization converged after 23 steps. Pressure: -55.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:22 -110.641762 0.032110 LBFGSLineSearch: 1 02:20:23 -110.641779 0.043433 LBFGSLineSearch: 2 02:20:23 -110.641805 0.104225 LBFGSLineSearch: 3 02:20:24 -110.641872 0.062480 LBFGSLineSearch: 4 02:20:24 -110.641879 0.016877 LBFGSLineSearch: 5 02:20:24 -110.641880 0.008334 LBFGSLineSearch: 6 02:20:25 -110.641884 0.017975 LBFGSLineSearch: 7 02:20:25 -110.641891 0.018581 LBFGSLineSearch: 8 02:20:25 -110.641897 0.009653 LBFGSLineSearch: 9 02:20:26 -110.641901 0.005812 LBFGSLineSearch: 10 02:20:26 -110.641905 0.009206 LBFGSLineSearch: 11 02:20:26 -110.641908 0.002691 LBFGSLineSearch: 12 02:20:27 -110.641910 0.000902 LBFGSLineSearch: 13 02:20:27 -110.641910 0.003697 LBFGSLineSearch: 14 02:20:28 -110.641910 0.000487 LBFGSLineSearch: 15 02:20:28 -110.641910 0.000775 LBFGSLineSearch: 16 02:20:28 -110.641910 0.001663 LBFGSLineSearch: 17 02:20:29 -110.641910 0.000717 LBFGSLineSearch: 18 02:20:30 -110.641910 0.000184 LBFGSLineSearch: 19 02:20:30 -110.641910 0.000464 LBFGSLineSearch: 20 02:20:31 -110.641910 0.000355 LBFGSLineSearch: 21 02:20:31 -110.641910 0.000064 LBFGSLineSearch: 22 02:20:32 -110.641910 0.000091 LBFGSLineSearch: 23 02:20:33 -110.641910 0.000015 LBFGSLineSearch: 24 02:20:34 -110.641910 0.000001 Minimization converged after 24 steps. Pressure: -55.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:20:43 -111.091743 0.032131 LBFGSLineSearch: 1 02:20:43 -111.091760 0.043403 LBFGSLineSearch: 2 02:20:44 -111.091786 0.104670 LBFGSLineSearch: 3 02:20:44 -111.091855 0.063540 LBFGSLineSearch: 4 02:20:45 -111.091862 0.017062 LBFGSLineSearch: 5 02:20:45 -111.091863 0.008507 LBFGSLineSearch: 6 02:20:46 -111.091867 0.018248 LBFGSLineSearch: 7 02:20:46 -111.091874 0.018880 LBFGSLineSearch: 8 02:20:46 -111.091880 0.009973 LBFGSLineSearch: 9 02:20:47 -111.091884 0.005811 LBFGSLineSearch: 10 02:20:47 -111.091888 0.009236 LBFGSLineSearch: 11 02:20:48 -111.091892 0.002677 LBFGSLineSearch: 12 02:20:48 -111.091893 0.000945 LBFGSLineSearch: 13 02:20:48 -111.091893 0.003735 LBFGSLineSearch: 14 02:20:48 -111.091894 0.000952 LBFGSLineSearch: 15 02:20:49 -111.091894 0.000654 LBFGSLineSearch: 16 02:20:49 -111.091894 0.001886 LBFGSLineSearch: 17 02:20:49 -111.091894 0.000822 LBFGSLineSearch: 18 02:20:50 -111.091894 0.000173 LBFGSLineSearch: 19 02:20:50 -111.091894 0.000453 LBFGSLineSearch: 20 02:20:51 -111.091894 0.000418 LBFGSLineSearch: 21 02:20:51 -111.091894 0.000025 LBFGSLineSearch: 22 02:20:52 -111.091894 0.000012 LBFGSLineSearch: 23 02:20:52 -111.091894 0.000008 Minimization converged after 23 steps. Pressure: -56.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:00 -111.542029 0.032157 LBFGSLineSearch: 1 02:21:00 -111.542047 0.043341 LBFGSLineSearch: 2 02:21:00 -111.542073 0.105489 LBFGSLineSearch: 3 02:21:01 -111.542143 0.064168 LBFGSLineSearch: 4 02:21:01 -111.542150 0.017085 LBFGSLineSearch: 5 02:21:01 -111.542151 0.008710 LBFGSLineSearch: 6 02:21:02 -111.542156 0.018326 LBFGSLineSearch: 7 02:21:02 -111.542163 0.019170 LBFGSLineSearch: 8 02:21:04 -111.542169 0.010337 LBFGSLineSearch: 9 02:21:05 -111.542173 0.005858 LBFGSLineSearch: 10 02:21:05 -111.542177 0.009323 LBFGSLineSearch: 11 02:21:06 -111.542181 0.002641 LBFGSLineSearch: 12 02:21:06 -111.542182 0.001081 LBFGSLineSearch: 13 02:21:07 -111.542183 0.004181 LBFGSLineSearch: 14 02:21:07 -111.542183 0.000379 LBFGSLineSearch: 15 02:21:08 -111.542183 0.001776 LBFGSLineSearch: 16 02:21:08 -111.542183 0.000184 LBFGSLineSearch: 17 02:21:08 -111.542183 0.000123 LBFGSLineSearch: 18 02:21:09 -111.542183 0.000202 LBFGSLineSearch: 19 02:21:09 -111.542183 0.000024 LBFGSLineSearch: 20 02:21:09 -111.542183 0.000081 LBFGSLineSearch: 21 02:21:09 -111.542183 0.000000 Minimization converged after 21 steps. Pressure: -56.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:15 -111.992627 0.032175 LBFGSLineSearch: 1 02:21:16 -111.992645 0.043332 LBFGSLineSearch: 2 02:21:16 -111.992672 0.105953 LBFGSLineSearch: 3 02:21:17 -111.992743 0.065524 LBFGSLineSearch: 4 02:21:17 -111.992750 0.017504 LBFGSLineSearch: 5 02:21:18 -111.992751 0.008894 LBFGSLineSearch: 6 02:21:18 -111.992756 0.018929 LBFGSLineSearch: 7 02:21:19 -111.992763 0.019550 LBFGSLineSearch: 8 02:21:19 -111.992771 0.010227 LBFGSLineSearch: 9 02:21:20 -111.992777 0.013686 LBFGSLineSearch: 10 02:21:20 -111.992781 0.004106 LBFGSLineSearch: 11 02:21:21 -111.992783 0.000924 LBFGSLineSearch: 12 02:21:21 -111.992784 0.001671 LBFGSLineSearch: 13 02:21:22 -111.992784 0.001546 LBFGSLineSearch: 14 02:21:22 -111.992784 0.000494 LBFGSLineSearch: 15 02:21:23 -111.992784 0.000883 LBFGSLineSearch: 16 02:21:23 -111.992784 0.000268 LBFGSLineSearch: 17 02:21:24 -111.992784 0.000166 LBFGSLineSearch: 18 02:21:24 -111.992784 0.000258 LBFGSLineSearch: 19 02:21:25 -111.992784 0.000137 LBFGSLineSearch: 20 02:21:25 -111.992784 0.000113 LBFGSLineSearch: 21 02:21:26 -111.992784 0.000057 LBFGSLineSearch: 22 02:21:26 -111.992784 0.000025 LBFGSLineSearch: 23 02:21:27 -111.992784 0.000025 LBFGSLineSearch: 24 02:21:27 -111.992784 0.000000 Minimization converged after 24 steps. Pressure: -57.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:34 -112.443543 0.032197 LBFGSLineSearch: 1 02:21:34 -112.443561 0.043301 LBFGSLineSearch: 2 02:21:34 -112.443588 0.106580 LBFGSLineSearch: 3 02:21:35 -112.443661 0.066648 LBFGSLineSearch: 4 02:21:35 -112.443668 0.017739 LBFGSLineSearch: 5 02:21:35 -112.443670 0.009110 LBFGSLineSearch: 6 02:21:35 -112.443674 0.019304 LBFGSLineSearch: 7 02:21:36 -112.443682 0.019930 LBFGSLineSearch: 8 02:21:36 -112.443690 0.010411 LBFGSLineSearch: 9 02:21:36 -112.443696 0.014137 LBFGSLineSearch: 10 02:21:37 -112.443700 0.004050 LBFGSLineSearch: 11 02:21:38 -112.443703 0.001013 LBFGSLineSearch: 12 02:21:38 -112.443703 0.001705 LBFGSLineSearch: 13 02:21:38 -112.443704 0.001765 LBFGSLineSearch: 14 02:21:38 -112.443704 0.000600 LBFGSLineSearch: 15 02:21:39 -112.443704 0.000752 LBFGSLineSearch: 16 02:21:39 -112.443704 0.000362 LBFGSLineSearch: 17 02:21:40 -112.443704 0.000227 LBFGSLineSearch: 18 02:21:40 -112.443704 0.000240 LBFGSLineSearch: 19 02:21:41 -112.443704 0.000256 LBFGSLineSearch: 20 02:21:41 -112.443704 0.000132 LBFGSLineSearch: 21 02:21:42 -112.443704 0.000118 LBFGSLineSearch: 22 02:21:42 -112.443704 0.000039 LBFGSLineSearch: 23 02:21:43 -112.443704 0.000031 LBFGSLineSearch: 24 02:21:43 -112.443704 0.000022 LBFGSLineSearch: 25 02:21:44 -112.443704 0.000000 Minimization converged after 25 steps. Pressure: -57.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:21:51 -112.894785 0.032220 LBFGSLineSearch: 1 02:21:52 -112.894803 0.043270 LBFGSLineSearch: 2 02:21:52 -112.894830 0.107231 LBFGSLineSearch: 3 02:21:53 -112.894905 0.067865 LBFGSLineSearch: 4 02:21:53 -112.894913 0.017978 LBFGSLineSearch: 5 02:21:54 -112.894914 0.009332 LBFGSLineSearch: 6 02:21:54 -112.894919 0.019704 LBFGSLineSearch: 7 02:21:54 -112.894926 0.020354 LBFGSLineSearch: 8 02:21:55 -112.894935 0.010650 LBFGSLineSearch: 9 02:21:55 -112.894941 0.014676 LBFGSLineSearch: 10 02:21:55 -112.894946 0.003993 LBFGSLineSearch: 11 02:21:55 -112.894949 0.001078 LBFGSLineSearch: 12 02:21:56 -112.894949 0.001485 LBFGSLineSearch: 13 02:21:56 -112.894949 0.001164 LBFGSLineSearch: 14 02:21:56 -112.894949 0.000496 LBFGSLineSearch: 15 02:21:57 -112.894950 0.000713 LBFGSLineSearch: 16 02:21:57 -112.894950 0.000261 LBFGSLineSearch: 17 02:21:57 -112.894950 0.000297 LBFGSLineSearch: 18 02:21:58 -112.894950 0.000146 LBFGSLineSearch: 19 02:21:58 -112.894950 0.000070 LBFGSLineSearch: 20 02:21:58 -112.894950 0.000046 LBFGSLineSearch: 21 02:21:59 -112.894950 0.000037 LBFGSLineSearch: 22 02:21:59 -112.894950 0.000013 LBFGSLineSearch: 23 02:22:00 -112.894950 0.000000 Minimization converged after 23 steps. Pressure: -58.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:07 -113.346361 0.032244 LBFGSLineSearch: 1 02:22:08 -113.346380 0.043242 LBFGSLineSearch: 2 02:22:09 -113.346407 0.107888 LBFGSLineSearch: 3 02:22:10 -113.346483 0.069169 LBFGSLineSearch: 4 02:22:10 -113.346491 0.018231 LBFGSLineSearch: 5 02:22:11 -113.346493 0.009571 LBFGSLineSearch: 6 02:22:12 -113.346498 0.020133 LBFGSLineSearch: 7 02:22:13 -113.346505 0.020829 LBFGSLineSearch: 8 02:22:14 -113.346514 0.010956 LBFGSLineSearch: 9 02:22:14 -113.346521 0.015337 LBFGSLineSearch: 10 02:22:14 -113.346526 0.003938 LBFGSLineSearch: 11 02:22:15 -113.346529 0.001135 LBFGSLineSearch: 12 02:22:16 -113.346529 0.001420 LBFGSLineSearch: 13 02:22:16 -113.346530 0.000481 LBFGSLineSearch: 14 02:22:16 -113.346530 0.000574 LBFGSLineSearch: 15 02:22:17 -113.346530 0.000482 LBFGSLineSearch: 16 02:22:17 -113.346530 0.000196 LBFGSLineSearch: 17 02:22:17 -113.346530 0.000343 LBFGSLineSearch: 18 02:22:18 -113.346530 0.000295 LBFGSLineSearch: 19 02:22:18 -113.346530 0.000096 LBFGSLineSearch: 20 02:22:19 -113.346530 0.000050 LBFGSLineSearch: 21 02:22:19 -113.346530 0.000163 LBFGSLineSearch: 22 02:22:19 -113.346530 0.000010 Minimization converged after 22 steps. Pressure: -58.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:27 -113.798282 0.032268 LBFGSLineSearch: 1 02:22:29 -113.798300 0.043110 LBFGSLineSearch: 2 02:22:30 -113.798328 0.109454 LBFGSLineSearch: 3 02:22:31 -113.798406 0.070062 LBFGSLineSearch: 4 02:22:32 -113.798415 0.018618 LBFGSLineSearch: 5 02:22:32 -113.798416 0.009813 LBFGSLineSearch: 6 02:22:33 -113.798421 0.020883 LBFGSLineSearch: 7 02:22:33 -113.798429 0.021388 LBFGSLineSearch: 8 02:22:34 -113.798439 0.011085 LBFGSLineSearch: 9 02:22:34 -113.798446 0.016361 LBFGSLineSearch: 10 02:22:35 -113.798452 0.004060 LBFGSLineSearch: 11 02:22:36 -113.798455 0.001258 LBFGSLineSearch: 12 02:22:37 -113.798455 0.001420 LBFGSLineSearch: 13 02:22:37 -113.798455 0.001553 LBFGSLineSearch: 14 02:22:38 -113.798456 0.000668 LBFGSLineSearch: 15 02:22:39 -113.798456 0.000549 LBFGSLineSearch: 16 02:22:39 -113.798456 0.000444 LBFGSLineSearch: 17 02:22:40 -113.798456 0.000402 LBFGSLineSearch: 18 02:22:40 -113.798457 0.000171 LBFGSLineSearch: 19 02:22:40 -113.798457 0.000119 LBFGSLineSearch: 20 02:22:41 -113.798457 0.000084 LBFGSLineSearch: 21 02:22:41 -113.798457 0.000066 LBFGSLineSearch: 22 02:22:41 -113.798457 0.000055 LBFGSLineSearch: 23 02:22:41 -113.798457 0.000025 LBFGSLineSearch: 24 02:22:41 -113.798457 0.000001 Minimization converged after 24 steps. Pressure: -59.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:22:48 -114.250559 0.032294 LBFGSLineSearch: 1 02:22:48 -114.250578 0.043193 LBFGSLineSearch: 2 02:22:49 -114.250605 0.109316 LBFGSLineSearch: 3 02:22:50 -114.250686 0.072102 LBFGSLineSearch: 4 02:22:51 -114.250695 0.018804 LBFGSLineSearch: 5 02:22:52 -114.250697 0.010128 LBFGSLineSearch: 6 02:22:52 -114.250702 0.021140 LBFGSLineSearch: 7 02:22:54 -114.250710 0.022007 LBFGSLineSearch: 8 02:22:54 -114.250720 0.011868 LBFGSLineSearch: 9 02:22:55 -114.250728 0.017218 LBFGSLineSearch: 10 02:22:55 -114.250735 0.003905 LBFGSLineSearch: 11 02:22:56 -114.250738 0.001419 LBFGSLineSearch: 12 02:22:56 -114.250738 0.001634 LBFGSLineSearch: 13 02:22:56 -114.250739 0.001750 LBFGSLineSearch: 14 02:22:57 -114.250740 0.000745 LBFGSLineSearch: 15 02:22:57 -114.250740 0.000708 LBFGSLineSearch: 16 02:22:58 -114.250740 0.000494 LBFGSLineSearch: 17 02:22:58 -114.250741 0.000469 LBFGSLineSearch: 18 02:23:00 -114.250741 0.000241 LBFGSLineSearch: 19 02:23:01 -114.250741 0.000144 LBFGSLineSearch: 20 02:23:01 -114.250741 0.000088 LBFGSLineSearch: 21 02:23:02 -114.250741 0.000065 LBFGSLineSearch: 22 02:23:03 -114.250741 0.000070 LBFGSLineSearch: 23 02:23:03 -114.250741 0.000058 LBFGSLineSearch: 24 02:23:04 -114.250741 0.000006 Minimization converged after 24 steps. Pressure: -59.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:10 -114.703209 0.032324 LBFGSLineSearch: 1 02:23:10 -114.703227 0.043169 LBFGSLineSearch: 2 02:23:11 -114.703255 0.110046 LBFGSLineSearch: 3 02:23:11 -114.703338 0.073835 LBFGSLineSearch: 4 02:23:12 -114.703347 0.019107 LBFGSLineSearch: 5 02:23:12 -114.703349 0.010430 LBFGSLineSearch: 6 02:23:13 -114.703354 0.021732 LBFGSLineSearch: 7 02:23:13 -114.703363 0.022765 LBFGSLineSearch: 8 02:23:14 -114.703374 0.012573 LBFGSLineSearch: 9 02:23:14 -114.703383 0.018546 LBFGSLineSearch: 10 02:23:15 -114.703391 0.003950 LBFGSLineSearch: 11 02:23:15 -114.703395 0.001687 LBFGSLineSearch: 12 02:23:16 -114.703395 0.001958 LBFGSLineSearch: 13 02:23:17 -114.703396 0.002061 LBFGSLineSearch: 14 02:23:18 -114.703398 0.000974 LBFGSLineSearch: 15 02:23:18 -114.703398 0.000879 LBFGSLineSearch: 16 02:23:18 -114.703398 0.000546 LBFGSLineSearch: 17 02:23:19 -114.703399 0.000395 LBFGSLineSearch: 18 02:23:20 -114.703399 0.000301 LBFGSLineSearch: 19 02:23:21 -114.703399 0.000095 LBFGSLineSearch: 20 02:23:21 -114.703399 0.000234 LBFGSLineSearch: 21 02:23:22 -114.703399 0.000069 LBFGSLineSearch: 22 02:23:22 -114.703399 0.000000 Minimization converged after 22 steps. Pressure: -60.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:29 -115.156250 0.032347 LBFGSLineSearch: 1 02:23:29 -115.156269 0.043154 LBFGSLineSearch: 2 02:23:29 -115.156297 0.110946 LBFGSLineSearch: 3 02:23:30 -115.156383 0.075618 LBFGSLineSearch: 4 02:23:30 -115.156393 0.019458 LBFGSLineSearch: 5 02:23:30 -115.156394 0.010798 LBFGSLineSearch: 6 02:23:30 -115.156400 0.022422 LBFGSLineSearch: 7 02:23:31 -115.156409 0.023708 LBFGSLineSearch: 8 02:23:32 -115.156422 0.013593 LBFGSLineSearch: 9 02:23:32 -115.156432 0.020374 LBFGSLineSearch: 10 02:23:33 -115.156441 0.004095 LBFGSLineSearch: 11 02:23:34 -115.156446 0.002097 LBFGSLineSearch: 12 02:23:34 -115.156447 0.002459 LBFGSLineSearch: 13 02:23:34 -115.156448 0.002577 LBFGSLineSearch: 14 02:23:35 -115.156452 0.001389 LBFGSLineSearch: 15 02:23:36 -115.156452 0.001077 LBFGSLineSearch: 16 02:23:36 -115.156452 0.000640 LBFGSLineSearch: 17 02:23:36 -115.156453 0.000458 LBFGSLineSearch: 18 02:23:37 -115.156453 0.000206 LBFGSLineSearch: 19 02:23:37 -115.156453 0.000209 LBFGSLineSearch: 20 02:23:37 -115.156453 0.000230 LBFGSLineSearch: 21 02:23:38 -115.156453 0.000093 LBFGSLineSearch: 22 02:23:38 -115.156453 0.000042 LBFGSLineSearch: 23 02:23:39 -115.156453 0.000008 Minimization converged after 23 steps. Pressure: -60.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:23:46 -115.609715 0.032380 LBFGSLineSearch: 1 02:23:46 -115.609733 0.043144 LBFGSLineSearch: 2 02:23:46 -115.609762 0.111826 LBFGSLineSearch: 3 02:23:47 -115.609850 0.077779 LBFGSLineSearch: 4 02:23:47 -115.609861 0.019846 LBFGSLineSearch: 5 02:23:47 -115.609863 0.011215 LBFGSLineSearch: 6 02:23:47 -115.609869 0.023267 LBFGSLineSearch: 7 02:23:48 -115.609879 0.024953 LBFGSLineSearch: 8 02:23:49 -115.609893 0.015122 LBFGSLineSearch: 9 02:23:49 -115.609906 0.023041 LBFGSLineSearch: 10 02:23:50 -115.609918 0.004468 LBFGSLineSearch: 11 02:23:50 -115.609925 0.002830 LBFGSLineSearch: 12 02:23:51 -115.609927 0.003317 LBFGSLineSearch: 13 02:23:51 -115.609929 0.003485 LBFGSLineSearch: 14 02:23:52 -115.609935 0.002744 LBFGSLineSearch: 15 02:23:52 -115.609936 0.001893 LBFGSLineSearch: 16 02:23:52 -115.609936 0.001092 LBFGSLineSearch: 17 02:23:53 -115.609937 0.000916 LBFGSLineSearch: 18 02:23:54 -115.609938 0.000284 LBFGSLineSearch: 19 02:23:54 -115.609938 0.000458 LBFGSLineSearch: 20 02:23:54 -115.609938 0.001207 LBFGSLineSearch: 21 02:23:55 -115.609938 0.000496 LBFGSLineSearch: 22 02:23:55 -115.609938 0.000183 LBFGSLineSearch: 23 02:23:56 -115.609938 0.000152 LBFGSLineSearch: 24 02:23:56 -115.609938 0.000027 LBFGSLineSearch: 25 02:23:56 -115.609938 0.000000 Minimization converged after 25 steps. Pressure: -61.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:24:03 -116.063658 0.032409 LBFGSLineSearch: 1 02:24:03 -116.063676 0.043146 LBFGSLineSearch: 2 02:24:03 -116.063705 0.112796 LBFGSLineSearch: 3 02:24:04 -116.063797 0.080437 LBFGSLineSearch: 4 02:24:04 -116.063809 0.020639 LBFGSLineSearch: 5 02:24:04 -116.063811 0.011735 LBFGSLineSearch: 6 02:24:04 -116.063818 0.024314 LBFGSLineSearch: 7 02:24:05 -116.063829 0.026810 LBFGSLineSearch: 8 02:24:05 -116.063846 0.017878 LBFGSLineSearch: 9 02:24:05 -116.063864 0.027495 LBFGSLineSearch: 10 02:24:05 -116.063884 0.005467 LBFGSLineSearch: 11 02:24:06 -116.063899 0.005546 LBFGSLineSearch: 12 02:24:06 -116.063902 0.008879 LBFGSLineSearch: 13 02:24:06 -116.063928 0.004725 LBFGSLineSearch: 14 02:24:07 -116.063933 0.005480 LBFGSLineSearch: 15 02:24:07 -116.063938 0.003303 LBFGSLineSearch: 16 02:24:07 -116.063939 0.003127 LBFGSLineSearch: 17 02:24:07 -116.063943 0.004161 LBFGSLineSearch: 18 02:24:08 -116.063948 0.007974 LBFGSLineSearch: 19 02:24:09 -116.378508 1.435618 LBFGSLineSearch: 20 02:24:09 -116.378508 1.436396 LBFGSLineSearch: 21 02:24:10 -116.394519 0.470373 LBFGSLineSearch: 22 02:24:10 -116.523856 4.340070 LBFGSLineSearch: 23 02:24:11 -116.534117 5.080940 LBFGSLineSearch: 24 02:24:13 -140.585953 41.414341 LBFGSLineSearch: 25 02:24:13 -140.593887 41.984235 LBFGSLineSearch: 26 02:24:13 -142.754607 50.810288 LBFGSLineSearch: 27 02:24:14 -144.239929 48.183185 LBFGSLineSearch: 28 02:24:14 -148.213279 15.634321 LBFGSLineSearch: 29 02:24:15 -157.575816 17.303397 Failed to get energy or crystal structure at pressure -61.0 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')