Model name? Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? [ { "property-id": "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "instance-id": 1, "prototype-label": { "source-value": "AB4_mP10_11_e_4e" }, "stoichiometric-species": { "source-value": [ "C", "Fe" ] }, "a": { "source-value": 6.6812599255781056, "source-unit": "angstrom", "si-unit": "m", "si-value": 6.681259925578105e-10 }, "parameter-names": { "source-value": [ "b/a", "c/a", "beta", "x1", "z1", "x2", "z2", "x3", "z3", "x4", "z4", "x5", "z5" ] }, "parameter-values": { "source-value": [ 0.40549209578882794, 0.8638052826296133, 101.0606068548105, 0.7179747678127213, 0.13423575089445472, 0.17973733153539628, 0.1054618038530375, 0.49554502020148483, 0.829333281069448, 0.07491811480516652, 0.6832690455365695, 0.6804840007952779, 0.5052315820783138 ] }, "cell-cauchy-stress": { "source-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ], "source-unit": "eV/angstrom^3", "si-unit": "kg / m s^2", "si-value": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ] }, "temperature": { "source-value": 0.0, "source-unit": "K", "si-unit": "K", "si-value": 0.0 }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_329801609112_000" ] ] }, "coordinates-file": { "source-value": "instance-1.poscar" }, "coordinates-file-conventional": { "source-value": "conventional.instance-1.poscar" }, "meta": { "uuid": "TE_196224119665_003-and-SM_531038274471_000-1753137573-tr", "path": "tr/TE_196224119665_003-and-SM_531038274471_000-1753137573-tr", "type": "tr", "_id": "TE_196224119665_003-and-SM_531038274471_000-1753137573-tr", "runner": { "extended-id": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "short-id": "TE_196224119665_003", "kimid-prefix": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe", "kimid-typecode": "te", "kimid-number": "196224119665", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe", "type": "te", "kimnum": "196224119665", "version": 3, "shortcode": "TE_196224119665", "kimcode": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "path": "te/EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "approved": true, "_id": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "makeable": true, "runner": true, "driver": { "extended-id": "EquilibriumCrystalStructure__TD_457028483760_003", "short-id": "TD_457028483760_003", "kimid-prefix": "EquilibriumCrystalStructure", "kimid-typecode": "td", "kimid-number": "457028483760", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "EquilibriumCrystalStructure", "type": "td", "kimnum": "457028483760", "version": 3, "shortcode": "TD_457028483760", "kimcode": "EquilibriumCrystalStructure__TD_457028483760_003", "path": "td/EquilibriumCrystalStructure__TD_457028483760_003", "approved": true, "_id": "EquilibriumCrystalStructure__TD_457028483760_003", "makeable": true, "driver": true, "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "description": "Computes the equilibrium crystal structure and energy for an arbitrary crystal at zero temperature and applied stress by performing symmetry-constrained relaxation. The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_mP10_11_e_4e v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype AB4_mP10_11_e_4e at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guess for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation is used:\na (angstrom): 6.9852, b/a: 0.4089933, c/a: 0.87735498, beta: 102.649, x1: 0.73977627, z1: 0.13501917, x2: 0.19064933, z2: 0.12620311, x3: 0.47972681, z3: 0.8350018, x4: 0.081032821, z4: 0.67902396, x5: 0.66972022, z5: 0.5039733, obtained from OpenKIM Reference Data item RD_329801609112_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-07-21 22:28:00.006475" }, "subject": { "extended-id": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "short-id": "SM_531038274471_000", "kimid-prefix": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC", "kimid-typecode": "sm", "kimid-number": "531038274471", "kimid-version": "000", "kimid-version-as-integer": 0, "name": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC", "type": "sm", "kimnum": "531038274471", "version": 0, "shortcode": "SM_531038274471", "kimcode": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "path": "sm/Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "approved": true, "_id": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "makeable": true, "subject": true, "driver": false, "content-origin": "NIST IPRP (https://www.ctcms.nist.gov/potentials/Fe.html#Fe-Ti-C)", "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3", "description": "Modified embedded-atom method (MEAM) interatomic potentials for the Fe\u2013Ti\u2013C and Fe\u2013Ti\u2013N ternary systems have been developed based on the previously developed MEAM potentials for sub-unary and binary systems. An attempt was made to find a way to determine ternary potential parameters using the corresponding binary parameters. The calculated coherent interface properties, interfacial energy, work of separation and misfit strain energy between body-centered cubic Fe and NaCl-type TiC or TiN were reasonable when compared with relevant first-principles calculations under the same condition. The applicability of the present potentials for atomistic simulations to investigate nucleation kinetics of TiC or TiN precipitates and their effects on mechanical properties in steels is also demonstrated.", "developer": [ "5a167265-87e3-44e4-870e-759fac0c70d7", "59cc80e4-a52a-48c1-90e0-292f4f6782fe", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/82f4fba9", "domain": "openkim.org", "kim-api-version": "2.1", "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3", "potential-type": "meam", "publication-year": "2019", "run-compatibility": "portable-models", "simulator-name": "LAMMPS", "simulator-potential": "meam/c", "source-citations": [ { "author": "Kim, Hyun-Kyu and Jung, Woo-Sang and Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2009.03.019", "journal": "Acta Materialia", "number": "11", "pages": "3140--3147", "recordkey": "SM_531038274471_000a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom method interatomic potentials for the {F}e\u2013{T}i\u2013{C} and {F}e\u2013{T}i\u2013{N} ternary systems", "volume": "57", "year": "2009" } ], "species": [ "Fe", "Ti", "C" ], "title": "LAMMPS MEAM potential for Fe-Ti-C developed by Kim, Jung, and Lee (2009) v000", "created_on": "2023-11-29 17:14:14.307974" }, "test": "EquilibriumCrystalStructure_AB4_mP10_11_e_4e_CFe__TE_196224119665_003", "simulator-model": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "domain": "openkim.org", "test-result-id": "TE_196224119665_003-and-SM_531038274471_000-1753137573-tr", "created_on": "2025-07-21 23:20:30.225633", "dependencies": [] }, "created_on": "2025-07-21 23:20:30.225633", "inserted_on": "2025-07-21 23:27:21.582936", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.00024000679389568624 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:06:32 -47.527196 0.032027 LBFGSLineSearch: 1 01:06:34 -47.527502 0.018322 LBFGSLineSearch: 2 01:06:37 -47.527570 0.008789 LBFGSLineSearch: 3 01:06:39 -47.527582 0.002965 LBFGSLineSearch: 4 01:06:40 -47.527583 0.002235 LBFGSLineSearch: 5 01:06:42 -47.527584 0.001469 LBFGSLineSearch: 6 01:06:44 -47.527585 0.001240 LBFGSLineSearch: 7 01:06:45 -47.527586 0.001262 LBFGSLineSearch: 8 01:06:46 -47.527586 0.001163 LBFGSLineSearch: 9 01:06:47 -47.527586 0.000906 LBFGSLineSearch: 10 01:06:47 -47.527587 0.000879 LBFGSLineSearch: 11 01:06:48 -47.527587 0.000494 LBFGSLineSearch: 12 01:06:49 -47.527587 0.000317 LBFGSLineSearch: 13 01:06:49 -47.527587 0.000432 LBFGSLineSearch: 14 01:06:50 -47.527587 0.000255 LBFGSLineSearch: 15 01:06:50 -47.527587 0.000214 LBFGSLineSearch: 16 01:06:51 -47.527587 0.000175 LBFGSLineSearch: 17 01:06:51 -47.527587 0.000167 LBFGSLineSearch: 18 01:06:51 -47.527587 0.000075 LBFGSLineSearch: 19 01:06:51 -47.527587 0.000094 LBFGSLineSearch: 20 01:06:52 -47.527587 0.000077 LBFGSLineSearch: 21 01:06:52 -47.527587 0.000028 LBFGSLineSearch: 22 01:06:53 -47.527587 0.000015 LBFGSLineSearch: 23 01:06:53 -47.527587 0.000002 Minimization converged after 23 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:01 -47.488500 0.003910 LBFGSLineSearch: 1 01:07:02 -47.488504 0.002197 LBFGSLineSearch: 2 01:07:02 -47.488505 0.001046 LBFGSLineSearch: 3 01:07:03 -47.488506 0.000397 LBFGSLineSearch: 4 01:07:03 -47.488506 0.000222 LBFGSLineSearch: 5 01:07:03 -47.488506 0.000201 LBFGSLineSearch: 6 01:07:04 -47.488506 0.000197 LBFGSLineSearch: 7 01:07:04 -47.488506 0.000173 LBFGSLineSearch: 8 01:07:04 -47.488506 0.000099 LBFGSLineSearch: 9 01:07:05 -47.488506 0.000112 LBFGSLineSearch: 10 01:07:05 -47.488506 0.000091 LBFGSLineSearch: 11 01:07:05 -47.488506 0.000094 LBFGSLineSearch: 12 01:07:05 -47.488506 0.000045 LBFGSLineSearch: 13 01:07:05 -47.488506 0.000050 LBFGSLineSearch: 14 01:07:06 -47.488506 0.000025 LBFGSLineSearch: 15 01:07:07 -47.488506 0.000029 LBFGSLineSearch: 16 01:07:08 -47.488506 0.000018 LBFGSLineSearch: 17 01:07:09 -47.488506 0.000014 LBFGSLineSearch: 18 01:07:11 -47.488506 0.000007 Minimization converged after 18 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:20 -47.444645 0.004390 LBFGSLineSearch: 1 01:07:21 -47.444651 0.002460 LBFGSLineSearch: 2 01:07:21 -47.444652 0.001172 LBFGSLineSearch: 3 01:07:22 -47.444652 0.000389 LBFGSLineSearch: 4 01:07:23 -47.444652 0.000250 LBFGSLineSearch: 5 01:07:23 -47.444652 0.000209 LBFGSLineSearch: 6 01:07:24 -47.444652 0.000165 LBFGSLineSearch: 7 01:07:25 -47.444652 0.000236 LBFGSLineSearch: 8 01:07:25 -47.444652 0.000127 LBFGSLineSearch: 9 01:07:25 -47.444652 0.000092 LBFGSLineSearch: 10 01:07:25 -47.444652 0.000121 LBFGSLineSearch: 11 01:07:26 -47.444652 0.000135 LBFGSLineSearch: 12 01:07:26 -47.444652 0.000100 LBFGSLineSearch: 13 01:07:27 -47.444652 0.000066 LBFGSLineSearch: 14 01:07:27 -47.444652 0.000039 LBFGSLineSearch: 15 01:07:28 -47.444652 0.000059 LBFGSLineSearch: 16 01:07:28 -47.444652 0.000033 LBFGSLineSearch: 17 01:07:29 -47.444652 0.000027 LBFGSLineSearch: 18 01:07:30 -47.444652 0.000028 LBFGSLineSearch: 19 01:07:30 -47.444652 0.000047 LBFGSLineSearch: 20 01:07:31 -47.444652 0.000010 LBFGSLineSearch: 21 01:07:33 -47.444652 0.000010 LBFGSLineSearch: 22 01:07:35 -47.444652 0.000004 Minimization converged after 22 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:07:47 -47.395436 0.004922 LBFGSLineSearch: 1 01:07:50 -47.395444 0.002759 LBFGSLineSearch: 2 01:07:52 -47.395445 0.001310 LBFGSLineSearch: 3 01:07:54 -47.395445 0.000436 LBFGSLineSearch: 4 01:07:54 -47.395446 0.000282 LBFGSLineSearch: 5 01:07:55 -47.395446 0.000231 LBFGSLineSearch: 6 01:07:55 -47.395446 0.000338 LBFGSLineSearch: 7 01:07:56 -47.395446 0.000182 LBFGSLineSearch: 8 01:07:56 -47.395446 0.000177 LBFGSLineSearch: 9 01:07:58 -47.395446 0.000273 LBFGSLineSearch: 10 01:07:58 -47.395446 0.000139 LBFGSLineSearch: 11 01:07:59 -47.395446 0.000142 LBFGSLineSearch: 12 01:07:59 -47.395446 0.000070 LBFGSLineSearch: 13 01:08:00 -47.395446 0.000062 LBFGSLineSearch: 14 01:08:01 -47.395446 0.000061 LBFGSLineSearch: 15 01:08:02 -47.395446 0.000033 LBFGSLineSearch: 16 01:08:03 -47.395446 0.000031 LBFGSLineSearch: 17 01:08:05 -47.395446 0.000027 LBFGSLineSearch: 18 01:08:06 -47.395446 0.000013 LBFGSLineSearch: 19 01:08:07 -47.395446 0.000015 LBFGSLineSearch: 20 01:08:08 -47.395446 0.000005 Minimization converged after 20 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:19 -47.340223 0.005523 LBFGSLineSearch: 1 01:08:21 -47.340232 0.003092 LBFGSLineSearch: 2 01:08:22 -47.340234 0.001466 LBFGSLineSearch: 3 01:08:23 -47.340235 0.000489 LBFGSLineSearch: 4 01:08:25 -47.340235 0.000320 LBFGSLineSearch: 5 01:08:25 -47.340235 0.000265 LBFGSLineSearch: 6 01:08:27 -47.340235 0.000422 LBFGSLineSearch: 7 01:08:27 -47.340235 0.000207 LBFGSLineSearch: 8 01:08:28 -47.340235 0.000147 LBFGSLineSearch: 9 01:08:29 -47.340235 0.000110 LBFGSLineSearch: 10 01:08:30 -47.340235 0.000065 LBFGSLineSearch: 11 01:08:31 -47.340235 0.000053 LBFGSLineSearch: 12 01:08:31 -47.340235 0.000040 LBFGSLineSearch: 13 01:08:32 -47.340235 0.000029 LBFGSLineSearch: 14 01:08:33 -47.340235 0.000025 LBFGSLineSearch: 15 01:08:33 -47.340235 0.000021 LBFGSLineSearch: 16 01:08:33 -47.340235 0.000018 LBFGSLineSearch: 17 01:08:34 -47.340235 0.000006 Minimization converged after 17 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:08:42 -47.278276 0.006197 LBFGSLineSearch: 1 01:08:44 -47.278287 0.003463 LBFGSLineSearch: 2 01:08:45 -47.278289 0.001639 LBFGSLineSearch: 3 01:08:48 -47.278290 0.000548 LBFGSLineSearch: 4 01:08:50 -47.278290 0.000364 LBFGSLineSearch: 5 01:08:50 -47.278290 0.000303 LBFGSLineSearch: 6 01:08:52 -47.278290 0.000459 LBFGSLineSearch: 7 01:08:54 -47.278290 0.000231 LBFGSLineSearch: 8 01:08:56 -47.278290 0.000165 LBFGSLineSearch: 9 01:08:58 -47.278290 0.000123 LBFGSLineSearch: 10 01:09:00 -47.278290 0.000064 LBFGSLineSearch: 11 01:09:03 -47.278290 0.000094 LBFGSLineSearch: 12 01:09:05 -47.278290 0.000061 LBFGSLineSearch: 13 01:09:06 -47.278290 0.000043 LBFGSLineSearch: 14 01:09:06 -47.278290 0.000030 LBFGSLineSearch: 15 01:09:08 -47.278290 0.000021 LBFGSLineSearch: 16 01:09:09 -47.278290 0.000026 LBFGSLineSearch: 17 01:09:10 -47.278290 0.000018 LBFGSLineSearch: 18 01:09:11 -47.278290 0.000006 Minimization converged after 18 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:22 -47.208775 0.006952 LBFGSLineSearch: 1 01:09:25 -47.208790 0.003878 LBFGSLineSearch: 2 01:09:26 -47.208793 0.001833 LBFGSLineSearch: 3 01:09:27 -47.208793 0.000615 LBFGSLineSearch: 4 01:09:29 -47.208793 0.000413 LBFGSLineSearch: 5 01:09:30 -47.208793 0.000348 LBFGSLineSearch: 6 01:09:32 -47.208793 0.000487 LBFGSLineSearch: 7 01:09:33 -47.208793 0.000259 LBFGSLineSearch: 8 01:09:34 -47.208793 0.000185 LBFGSLineSearch: 9 01:09:35 -47.208794 0.000140 LBFGSLineSearch: 10 01:09:36 -47.208794 0.000081 LBFGSLineSearch: 11 01:09:37 -47.208794 0.000097 LBFGSLineSearch: 12 01:09:37 -47.208794 0.000073 LBFGSLineSearch: 13 01:09:38 -47.208794 0.000050 LBFGSLineSearch: 14 01:09:40 -47.208794 0.000037 LBFGSLineSearch: 15 01:09:41 -47.208794 0.000034 LBFGSLineSearch: 16 01:09:42 -47.208794 0.000019 LBFGSLineSearch: 17 01:09:43 -47.208794 0.000024 LBFGSLineSearch: 18 01:09:46 -47.208794 0.000014 LBFGSLineSearch: 19 01:09:48 -47.208794 0.000007 Minimization converged after 19 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:09:59 -47.130807 0.007800 LBFGSLineSearch: 1 01:10:00 -47.130825 0.004343 LBFGSLineSearch: 2 01:10:00 -47.130828 0.002048 LBFGSLineSearch: 3 01:10:01 -47.130829 0.000689 LBFGSLineSearch: 4 01:10:02 -47.130829 0.000470 LBFGSLineSearch: 5 01:10:03 -47.130829 0.000374 LBFGSLineSearch: 6 01:10:05 -47.130829 0.000300 LBFGSLineSearch: 7 01:10:05 -47.130829 0.000204 LBFGSLineSearch: 8 01:10:07 -47.130829 0.000204 LBFGSLineSearch: 9 01:10:09 -47.130829 0.000154 LBFGSLineSearch: 10 01:10:11 -47.130829 0.000091 LBFGSLineSearch: 11 01:10:12 -47.130829 0.000131 LBFGSLineSearch: 12 01:10:12 -47.130829 0.000076 LBFGSLineSearch: 13 01:10:13 -47.130829 0.000055 LBFGSLineSearch: 14 01:10:15 -47.130829 0.000049 LBFGSLineSearch: 15 01:10:17 -47.130829 0.000041 LBFGSLineSearch: 16 01:10:17 -47.130829 0.000083 LBFGSLineSearch: 17 01:10:18 -47.130829 0.000029 LBFGSLineSearch: 18 01:10:18 -47.130829 0.000016 LBFGSLineSearch: 19 01:10:18 -47.130829 0.000025 LBFGSLineSearch: 20 01:10:19 -47.130829 0.000018 LBFGSLineSearch: 21 01:10:19 -47.130829 0.000007 Minimization converged after 21 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:10:29 -47.043343 0.008749 LBFGSLineSearch: 1 01:10:30 -47.043366 0.004862 LBFGSLineSearch: 2 01:10:32 -47.043370 0.002287 LBFGSLineSearch: 3 01:10:36 -47.043371 0.000773 LBFGSLineSearch: 4 01:10:39 -47.043371 0.000535 LBFGSLineSearch: 5 01:10:40 -47.043371 0.000414 LBFGSLineSearch: 6 01:10:42 -47.043371 0.000339 LBFGSLineSearch: 7 01:10:43 -47.043371 0.000307 LBFGSLineSearch: 8 01:10:44 -47.043372 0.000240 LBFGSLineSearch: 9 01:10:45 -47.043372 0.000169 LBFGSLineSearch: 10 01:10:46 -47.043372 0.000090 LBFGSLineSearch: 11 01:10:47 -47.043372 0.000139 LBFGSLineSearch: 12 01:10:49 -47.043372 0.000079 LBFGSLineSearch: 13 01:10:52 -47.043372 0.000064 LBFGSLineSearch: 14 01:10:57 -47.043372 0.000054 LBFGSLineSearch: 15 01:11:01 -47.043372 0.000046 LBFGSLineSearch: 16 01:11:03 -47.043372 0.000030 LBFGSLineSearch: 17 01:11:03 -47.043372 0.000009 Minimization converged after 17 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:13 -46.945235 0.009816 LBFGSLineSearch: 1 01:11:17 -46.945264 0.005439 LBFGSLineSearch: 2 01:11:20 -46.945270 0.002553 LBFGSLineSearch: 3 01:11:22 -46.945271 0.000867 LBFGSLineSearch: 4 01:11:26 -46.945271 0.000609 LBFGSLineSearch: 5 01:11:27 -46.945271 0.000456 LBFGSLineSearch: 6 01:11:28 -46.945271 0.000383 LBFGSLineSearch: 7 01:11:29 -46.945271 0.000394 LBFGSLineSearch: 8 01:11:30 -46.945271 0.000260 LBFGSLineSearch: 9 01:11:32 -46.945271 0.000188 LBFGSLineSearch: 10 01:11:34 -46.945271 0.000104 LBFGSLineSearch: 11 01:11:34 -46.945271 0.000130 LBFGSLineSearch: 12 01:11:35 -46.945271 0.000074 LBFGSLineSearch: 13 01:11:35 -46.945271 0.000069 LBFGSLineSearch: 14 01:11:36 -46.945271 0.000066 LBFGSLineSearch: 15 01:11:36 -46.945271 0.000050 LBFGSLineSearch: 16 01:11:37 -46.945271 0.000032 LBFGSLineSearch: 17 01:11:38 -46.945271 0.000010 Minimization converged after 17 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:11:52 -46.835197 0.011009 LBFGSLineSearch: 1 01:11:54 -46.835232 0.006094 LBFGSLineSearch: 2 01:11:56 -46.835240 0.002848 LBFGSLineSearch: 3 01:11:59 -46.835241 0.000970 LBFGSLineSearch: 4 01:12:02 -46.835241 0.000696 LBFGSLineSearch: 5 01:12:04 -46.835241 0.000502 LBFGSLineSearch: 6 01:12:05 -46.835242 0.000433 LBFGSLineSearch: 7 01:12:06 -46.835242 0.000408 LBFGSLineSearch: 8 01:12:07 -46.835242 0.000395 LBFGSLineSearch: 9 01:12:08 -46.835242 0.000303 LBFGSLineSearch: 10 01:12:09 -46.835242 0.000172 LBFGSLineSearch: 11 01:12:10 -46.835242 0.000113 LBFGSLineSearch: 12 01:12:12 -46.835242 0.000151 LBFGSLineSearch: 13 01:12:15 -46.835242 0.000081 LBFGSLineSearch: 14 01:12:18 -46.835242 0.000076 LBFGSLineSearch: 15 01:12:20 -46.835242 0.000062 LBFGSLineSearch: 16 01:12:21 -46.835242 0.000053 LBFGSLineSearch: 17 01:12:22 -46.835242 0.000033 LBFGSLineSearch: 18 01:12:22 -46.835242 0.000033 LBFGSLineSearch: 19 01:12:24 -46.835242 0.000010 LBFGSLineSearch: 20 01:12:26 -46.835242 0.000001 Minimization converged after 20 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:12:39 -46.711788 0.012346 LBFGSLineSearch: 1 01:12:40 -46.711833 0.006807 LBFGSLineSearch: 2 01:12:41 -46.711842 0.003175 LBFGSLineSearch: 3 01:12:42 -46.711844 0.001088 LBFGSLineSearch: 4 01:12:43 -46.711844 0.000791 LBFGSLineSearch: 5 01:12:45 -46.711844 0.000555 LBFGSLineSearch: 6 01:12:47 -46.711844 0.000487 LBFGSLineSearch: 7 01:12:48 -46.711844 0.000456 LBFGSLineSearch: 8 01:12:50 -46.711844 0.000456 LBFGSLineSearch: 9 01:12:53 -46.711844 0.000339 LBFGSLineSearch: 10 01:12:57 -46.711844 0.000193 LBFGSLineSearch: 11 01:12:59 -46.711844 0.000152 LBFGSLineSearch: 12 01:13:00 -46.711844 0.000106 LBFGSLineSearch: 13 01:13:03 -46.711844 0.000090 LBFGSLineSearch: 14 01:13:04 -46.711844 0.000078 LBFGSLineSearch: 15 01:13:08 -46.711844 0.000064 LBFGSLineSearch: 16 01:13:09 -46.711844 0.000091 LBFGSLineSearch: 17 01:13:10 -46.711844 0.000040 LBFGSLineSearch: 18 01:13:10 -46.711844 0.000027 LBFGSLineSearch: 19 01:13:12 -46.711844 0.000011 LBFGSLineSearch: 20 01:13:13 -46.711844 0.000008 Minimization converged after 20 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:13:27 -46.573398 0.013844 LBFGSLineSearch: 1 01:13:28 -46.573454 0.007614 LBFGSLineSearch: 2 01:13:29 -46.573465 0.003533 LBFGSLineSearch: 3 01:13:30 -46.573467 0.001219 LBFGSLineSearch: 4 01:13:32 -46.573467 0.000900 LBFGSLineSearch: 5 01:13:34 -46.573467 0.000624 LBFGSLineSearch: 6 01:13:36 -46.573468 0.000547 LBFGSLineSearch: 7 01:13:40 -46.573468 0.000510 LBFGSLineSearch: 8 01:13:42 -46.573468 0.000514 LBFGSLineSearch: 9 01:13:43 -46.573468 0.000380 LBFGSLineSearch: 10 01:13:44 -46.573468 0.000224 LBFGSLineSearch: 11 01:13:45 -46.573468 0.000223 LBFGSLineSearch: 12 01:13:47 -46.573468 0.000163 LBFGSLineSearch: 13 01:13:52 -46.573468 0.000165 LBFGSLineSearch: 14 01:13:56 -46.573468 0.000093 LBFGSLineSearch: 15 01:14:00 -46.573468 0.000094 LBFGSLineSearch: 16 01:14:03 -46.573468 0.000080 LBFGSLineSearch: 17 01:14:06 -46.573468 0.000083 LBFGSLineSearch: 18 01:14:10 -46.573468 0.000114 LBFGSLineSearch: 19 01:14:13 -46.573468 0.000032 LBFGSLineSearch: 20 01:14:18 -46.573468 0.000038 LBFGSLineSearch: 21 01:14:22 -46.573468 0.000011 LBFGSLineSearch: 22 01:14:26 -46.573468 0.000001 Minimization converged after 22 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:14:39 -46.418224 0.015525 LBFGSLineSearch: 1 01:14:41 -46.418294 0.008500 LBFGSLineSearch: 2 01:14:43 -46.418308 0.003935 LBFGSLineSearch: 3 01:14:44 -46.418311 0.001366 LBFGSLineSearch: 4 01:14:48 -46.418311 0.001023 LBFGSLineSearch: 5 01:14:48 -46.418311 0.000702 LBFGSLineSearch: 6 01:14:49 -46.418311 0.000613 LBFGSLineSearch: 7 01:14:49 -46.418312 0.000571 LBFGSLineSearch: 8 01:14:52 -46.418312 0.000579 LBFGSLineSearch: 9 01:14:55 -46.418312 0.000426 LBFGSLineSearch: 10 01:14:56 -46.418312 0.000264 LBFGSLineSearch: 11 01:14:57 -46.418312 0.000263 LBFGSLineSearch: 12 01:14:59 -46.418312 0.000154 LBFGSLineSearch: 13 01:15:02 -46.418312 0.000220 LBFGSLineSearch: 14 01:15:05 -46.418312 0.000106 LBFGSLineSearch: 15 01:15:06 -46.418312 0.000160 LBFGSLineSearch: 16 01:15:07 -46.418312 0.000074 LBFGSLineSearch: 17 01:15:08 -46.418312 0.000149 LBFGSLineSearch: 18 01:15:08 -46.418312 0.000046 LBFGSLineSearch: 19 01:15:09 -46.418312 0.000036 LBFGSLineSearch: 20 01:15:12 -46.418312 0.000013 LBFGSLineSearch: 21 01:15:15 -46.418312 0.000001 Minimization converged after 21 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:15:26 -46.244253 0.017406 LBFGSLineSearch: 1 01:15:27 -46.244341 0.009491 LBFGSLineSearch: 2 01:15:27 -46.244359 0.004375 LBFGSLineSearch: 3 01:15:28 -46.244362 0.001530 LBFGSLineSearch: 4 01:15:28 -46.244362 0.001159 LBFGSLineSearch: 5 01:15:28 -46.244362 0.000785 LBFGSLineSearch: 6 01:15:29 -46.244362 0.000686 LBFGSLineSearch: 7 01:15:30 -46.244362 0.000638 LBFGSLineSearch: 8 01:15:32 -46.244362 0.000656 LBFGSLineSearch: 9 01:15:37 -46.244363 0.000478 LBFGSLineSearch: 10 01:15:42 -46.244363 0.000310 LBFGSLineSearch: 11 01:15:44 -46.244363 0.000240 LBFGSLineSearch: 12 01:15:48 -46.244363 0.000234 LBFGSLineSearch: 13 01:15:49 -46.244363 0.000178 LBFGSLineSearch: 14 01:15:49 -46.244363 0.000230 LBFGSLineSearch: 15 01:15:50 -46.244363 0.000113 LBFGSLineSearch: 16 01:15:52 -46.244363 0.000121 LBFGSLineSearch: 17 01:15:55 -46.244363 0.000126 LBFGSLineSearch: 18 01:15:57 -46.244363 0.000046 LBFGSLineSearch: 19 01:16:01 -46.244363 0.000014 LBFGSLineSearch: 20 01:16:05 -46.244363 0.000014 LBFGSLineSearch: 21 01:16:06 -46.244363 0.000001 Minimization converged after 21 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:16:16 -46.049234 0.019513 LBFGSLineSearch: 1 01:16:19 -46.049343 0.010592 LBFGSLineSearch: 2 01:16:22 -46.049366 0.004859 LBFGSLineSearch: 3 01:16:24 -46.049369 0.001714 LBFGSLineSearch: 4 01:16:26 -46.049370 0.001309 LBFGSLineSearch: 5 01:16:29 -46.049370 0.000874 LBFGSLineSearch: 6 01:16:33 -46.049370 0.000768 LBFGSLineSearch: 7 01:16:34 -46.049370 0.000712 LBFGSLineSearch: 8 01:16:36 -46.049370 0.000744 LBFGSLineSearch: 9 01:16:39 -46.049370 0.000536 LBFGSLineSearch: 10 01:16:42 -46.049371 0.000362 LBFGSLineSearch: 11 01:16:43 -46.049371 0.000270 LBFGSLineSearch: 12 01:16:43 -46.049371 0.000261 LBFGSLineSearch: 13 01:16:44 -46.049371 0.000192 LBFGSLineSearch: 14 01:16:45 -46.049371 0.000246 LBFGSLineSearch: 15 01:16:45 -46.049371 0.000145 LBFGSLineSearch: 16 01:16:46 -46.049371 0.000136 LBFGSLineSearch: 17 01:16:47 -46.049371 0.000149 LBFGSLineSearch: 18 01:16:48 -46.049371 0.000098 LBFGSLineSearch: 19 01:16:50 -46.049371 0.000178 LBFGSLineSearch: 20 01:16:51 -46.049371 0.000163 LBFGSLineSearch: 21 01:16:53 -46.049371 0.000041 LBFGSLineSearch: 22 01:16:54 -46.049371 0.000013 LBFGSLineSearch: 23 01:16:56 -46.049371 0.000003 Minimization converged after 23 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:17:09 -45.830652 0.021872 LBFGSLineSearch: 1 01:17:13 -45.830789 0.011812 LBFGSLineSearch: 2 01:17:16 -45.830817 0.005390 LBFGSLineSearch: 3 01:17:19 -45.830821 0.001918 LBFGSLineSearch: 4 01:17:20 -45.830821 0.001472 LBFGSLineSearch: 5 01:17:21 -45.830822 0.000971 LBFGSLineSearch: 6 01:17:25 -45.830822 0.000862 LBFGSLineSearch: 7 01:17:28 -45.830822 0.000795 LBFGSLineSearch: 8 01:17:31 -45.830822 0.000843 LBFGSLineSearch: 9 01:17:32 -45.830823 0.000601 LBFGSLineSearch: 10 01:17:34 -45.830823 0.000420 LBFGSLineSearch: 11 01:17:37 -45.830823 0.000304 LBFGSLineSearch: 12 01:17:41 -45.830823 0.000284 LBFGSLineSearch: 13 01:17:43 -45.830823 0.000212 LBFGSLineSearch: 14 01:17:43 -45.830823 0.000260 LBFGSLineSearch: 15 01:17:43 -45.830823 0.000214 LBFGSLineSearch: 16 01:17:43 -45.830823 0.000143 LBFGSLineSearch: 17 01:17:44 -45.830823 0.000143 LBFGSLineSearch: 18 01:17:44 -45.830823 0.000219 LBFGSLineSearch: 19 01:17:45 -45.830823 0.000193 LBFGSLineSearch: 20 01:17:46 -45.830823 0.000111 LBFGSLineSearch: 21 01:17:47 -45.830823 0.000046 LBFGSLineSearch: 22 01:17:48 -45.830823 0.000014 LBFGSLineSearch: 23 01:17:51 -45.830823 0.000001 Minimization converged after 23 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:03 -45.585702 0.024513 LBFGSLineSearch: 1 01:18:03 -45.585873 0.013164 LBFGSLineSearch: 2 01:18:04 -45.585906 0.005971 LBFGSLineSearch: 3 01:18:04 -45.585912 0.002147 LBFGSLineSearch: 4 01:18:05 -45.585912 0.001648 LBFGSLineSearch: 5 01:18:05 -45.585913 0.001074 LBFGSLineSearch: 6 01:18:09 -45.585913 0.000920 LBFGSLineSearch: 7 01:18:14 -45.585914 0.000676 LBFGSLineSearch: 8 01:18:15 -45.585914 0.000625 LBFGSLineSearch: 9 01:18:16 -45.585914 0.000438 LBFGSLineSearch: 10 01:18:16 -45.585914 0.000301 LBFGSLineSearch: 11 01:18:17 -45.585914 0.000204 LBFGSLineSearch: 12 01:18:18 -45.585914 0.000188 LBFGSLineSearch: 13 01:18:19 -45.585914 0.000162 LBFGSLineSearch: 14 01:18:19 -45.585914 0.000142 LBFGSLineSearch: 15 01:18:19 -45.585914 0.000166 LBFGSLineSearch: 16 01:18:20 -45.585914 0.000253 LBFGSLineSearch: 17 01:18:21 -45.585914 0.000103 LBFGSLineSearch: 18 01:18:21 -45.585914 0.000053 LBFGSLineSearch: 19 01:18:22 -45.585914 0.000033 LBFGSLineSearch: 20 01:18:24 -45.585914 0.000014 LBFGSLineSearch: 21 01:18:25 -45.585914 0.000018 LBFGSLineSearch: 22 01:18:28 -45.585914 0.000001 Minimization converged after 22 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:18:42 -45.311251 0.027467 LBFGSLineSearch: 1 01:18:44 -45.311464 0.014659 LBFGSLineSearch: 2 01:18:44 -45.311505 0.006607 LBFGSLineSearch: 3 01:18:45 -45.311512 0.002402 LBFGSLineSearch: 4 01:18:45 -45.311513 0.001835 LBFGSLineSearch: 5 01:18:46 -45.311513 0.001185 LBFGSLineSearch: 6 01:18:47 -45.311514 0.001028 LBFGSLineSearch: 7 01:18:47 -45.311514 0.000811 LBFGSLineSearch: 8 01:18:49 -45.311514 0.000718 LBFGSLineSearch: 9 01:18:51 -45.311514 0.000486 LBFGSLineSearch: 10 01:18:52 -45.311514 0.000342 LBFGSLineSearch: 11 01:18:52 -45.311515 0.000240 LBFGSLineSearch: 12 01:18:53 -45.311515 0.000207 LBFGSLineSearch: 13 01:18:53 -45.311515 0.000230 LBFGSLineSearch: 14 01:18:54 -45.311515 0.000176 LBFGSLineSearch: 15 01:18:56 -45.311515 0.000080 LBFGSLineSearch: 16 01:18:59 -45.311515 0.000073 LBFGSLineSearch: 17 01:19:03 -45.311515 0.000043 LBFGSLineSearch: 18 01:19:06 -45.311515 0.000024 LBFGSLineSearch: 19 01:19:08 -45.311515 0.000017 LBFGSLineSearch: 20 01:19:10 -45.311515 0.000001 Minimization converged after 20 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:21 -45.003807 0.030772 LBFGSLineSearch: 1 01:19:23 -45.004073 0.016310 LBFGSLineSearch: 2 01:19:24 -45.004124 0.007299 LBFGSLineSearch: 3 01:19:26 -45.004132 0.002633 LBFGSLineSearch: 4 01:19:28 -45.004132 0.002036 LBFGSLineSearch: 5 01:19:29 -45.004133 0.001303 LBFGSLineSearch: 6 01:19:31 -45.004134 0.001147 LBFGSLineSearch: 7 01:19:34 -45.004134 0.000923 LBFGSLineSearch: 8 01:19:36 -45.004134 0.000815 LBFGSLineSearch: 9 01:19:37 -45.004135 0.000533 LBFGSLineSearch: 10 01:19:38 -45.004135 0.000347 LBFGSLineSearch: 11 01:19:39 -45.004135 0.000494 LBFGSLineSearch: 12 01:19:40 -45.004135 0.000244 LBFGSLineSearch: 13 01:19:41 -45.004135 0.000176 LBFGSLineSearch: 14 01:19:42 -45.004135 0.000249 LBFGSLineSearch: 15 01:19:44 -45.004135 0.000086 LBFGSLineSearch: 16 01:19:45 -45.004135 0.000035 LBFGSLineSearch: 17 01:19:45 -45.004135 0.000020 LBFGSLineSearch: 18 01:19:46 -45.004135 0.000024 LBFGSLineSearch: 19 01:19:48 -45.004135 0.000001 Minimization converged after 19 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:19:59 -44.659480 0.034466 LBFGSLineSearch: 1 01:20:00 -44.659811 0.018132 LBFGSLineSearch: 2 01:20:00 -44.659873 0.008050 LBFGSLineSearch: 3 01:20:01 -44.659883 0.002868 LBFGSLineSearch: 4 01:20:01 -44.659883 0.002254 LBFGSLineSearch: 5 01:20:02 -44.659884 0.001463 LBFGSLineSearch: 6 01:20:03 -44.659885 0.001281 LBFGSLineSearch: 7 01:20:04 -44.659886 0.001063 LBFGSLineSearch: 8 01:20:04 -44.659886 0.000914 LBFGSLineSearch: 9 01:20:04 -44.659886 0.000599 LBFGSLineSearch: 10 01:20:04 -44.659886 0.000592 LBFGSLineSearch: 11 01:20:05 -44.659887 0.000453 LBFGSLineSearch: 12 01:20:05 -44.659887 0.000287 LBFGSLineSearch: 13 01:20:06 -44.659887 0.000255 LBFGSLineSearch: 14 01:20:06 -44.659887 0.000246 LBFGSLineSearch: 15 01:20:07 -44.659887 0.000087 LBFGSLineSearch: 16 01:20:08 -44.659887 0.000043 LBFGSLineSearch: 17 01:20:09 -44.659887 0.000025 LBFGSLineSearch: 18 01:20:10 -44.659887 0.000009 Minimization converged after 18 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:20:21 -44.273936 0.038596 LBFGSLineSearch: 1 01:20:23 -44.274348 0.020134 LBFGSLineSearch: 2 01:20:26 -44.274423 0.008861 LBFGSLineSearch: 3 01:20:30 -44.274435 0.003113 LBFGSLineSearch: 4 01:20:34 -44.274436 0.002490 LBFGSLineSearch: 5 01:20:35 -44.274437 0.001645 LBFGSLineSearch: 6 01:20:36 -44.274438 0.001430 LBFGSLineSearch: 7 01:20:36 -44.274439 0.001221 LBFGSLineSearch: 8 01:20:37 -44.274439 0.000995 LBFGSLineSearch: 9 01:20:37 -44.274440 0.000945 LBFGSLineSearch: 10 01:20:38 -44.274440 0.000604 LBFGSLineSearch: 11 01:20:39 -44.274440 0.000428 LBFGSLineSearch: 12 01:20:40 -44.274440 0.000615 LBFGSLineSearch: 13 01:20:40 -44.274440 0.000297 LBFGSLineSearch: 14 01:20:42 -44.274440 0.000281 LBFGSLineSearch: 15 01:20:43 -44.274440 0.000490 LBFGSLineSearch: 16 01:20:44 -44.274440 0.000221 LBFGSLineSearch: 17 01:20:45 -44.274440 0.000078 LBFGSLineSearch: 18 01:20:47 -44.274440 0.000060 LBFGSLineSearch: 19 01:20:50 -44.274440 0.000018 LBFGSLineSearch: 20 01:20:52 -44.274440 0.000023 LBFGSLineSearch: 21 01:20:54 -44.274440 0.000002 Minimization converged after 21 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:07 -43.842354 0.043209 LBFGSLineSearch: 1 01:21:12 -43.842867 0.022340 LBFGSLineSearch: 2 01:21:15 -43.842958 0.009739 LBFGSLineSearch: 3 01:21:16 -43.842972 0.003364 LBFGSLineSearch: 4 01:21:19 -43.842973 0.002744 LBFGSLineSearch: 5 01:21:20 -43.842974 0.001849 LBFGSLineSearch: 6 01:21:21 -43.842976 0.001600 LBFGSLineSearch: 7 01:21:21 -43.842977 0.001401 LBFGSLineSearch: 8 01:21:21 -43.842977 0.001129 LBFGSLineSearch: 9 01:21:21 -43.842977 0.001071 LBFGSLineSearch: 10 01:21:21 -43.842978 0.000695 LBFGSLineSearch: 11 01:21:22 -43.842978 0.000509 LBFGSLineSearch: 12 01:21:22 -43.842978 0.000686 LBFGSLineSearch: 13 01:21:22 -43.842978 0.000340 LBFGSLineSearch: 14 01:21:23 -43.842978 0.000357 LBFGSLineSearch: 15 01:21:24 -43.842978 0.000325 LBFGSLineSearch: 16 01:21:26 -43.842978 0.000651 LBFGSLineSearch: 17 01:21:27 -43.842978 0.000079 LBFGSLineSearch: 18 01:21:27 -43.842978 0.000043 LBFGSLineSearch: 19 01:21:30 -43.842978 0.000022 LBFGSLineSearch: 20 01:21:33 -43.842978 0.000002 Minimization converged after 20 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:21:47 -43.359374 0.048361 LBFGSLineSearch: 1 01:21:50 -43.360010 0.024755 LBFGSLineSearch: 2 01:21:51 -43.360120 0.010683 LBFGSLineSearch: 3 01:21:52 -43.360137 0.003622 LBFGSLineSearch: 4 01:21:54 -43.360139 0.003023 LBFGSLineSearch: 5 01:21:54 -43.360140 0.002077 LBFGSLineSearch: 6 01:21:56 -43.360142 0.001790 LBFGSLineSearch: 7 01:21:57 -43.360143 0.001602 LBFGSLineSearch: 8 01:21:57 -43.360144 0.001282 LBFGSLineSearch: 9 01:21:58 -43.360144 0.001213 LBFGSLineSearch: 10 01:21:58 -43.360144 0.000801 LBFGSLineSearch: 11 01:21:59 -43.360145 0.000585 LBFGSLineSearch: 12 01:21:59 -43.360145 0.000777 LBFGSLineSearch: 13 01:22:00 -43.360145 0.000384 LBFGSLineSearch: 14 01:22:00 -43.360145 0.000411 LBFGSLineSearch: 15 01:22:01 -43.360145 0.000381 LBFGSLineSearch: 16 01:22:02 -43.360145 0.000476 LBFGSLineSearch: 17 01:22:03 -43.360145 0.000708 LBFGSLineSearch: 18 01:22:04 -43.360145 0.000071 LBFGSLineSearch: 19 01:22:05 -43.360145 0.000049 LBFGSLineSearch: 20 01:22:07 -43.360145 0.000021 LBFGSLineSearch: 21 01:22:07 -43.360145 0.000001 Minimization converged after 21 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:22:20 -42.819042 0.054111 LBFGSLineSearch: 1 01:22:24 -42.819830 0.027399 LBFGSLineSearch: 2 01:22:27 -42.819962 0.011692 LBFGSLineSearch: 3 01:22:28 -42.819982 0.003883 LBFGSLineSearch: 4 01:22:29 -42.819984 0.003329 LBFGSLineSearch: 5 01:22:31 -42.819985 0.002333 LBFGSLineSearch: 6 01:22:33 -42.819988 0.002016 LBFGSLineSearch: 7 01:22:35 -42.819990 0.001822 LBFGSLineSearch: 8 01:22:35 -42.819990 0.001461 LBFGSLineSearch: 9 01:22:36 -42.819991 0.001372 LBFGSLineSearch: 10 01:22:38 -42.819991 0.000925 LBFGSLineSearch: 11 01:22:39 -42.819991 0.000671 LBFGSLineSearch: 12 01:22:41 -42.819991 0.000884 LBFGSLineSearch: 13 01:22:45 -42.819992 0.000428 LBFGSLineSearch: 14 01:22:48 -42.819992 0.000554 LBFGSLineSearch: 15 01:22:49 -42.819992 0.000459 LBFGSLineSearch: 16 01:22:51 -42.819992 0.000580 LBFGSLineSearch: 17 01:22:54 -42.819992 0.000785 LBFGSLineSearch: 18 01:22:57 -42.819992 0.000068 LBFGSLineSearch: 19 01:22:59 -42.819992 0.000023 LBFGSLineSearch: 20 01:23:00 -42.819992 0.000010 Minimization converged after 20 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:10 -42.214749 0.060528 LBFGSLineSearch: 1 01:23:13 -42.215723 0.030284 LBFGSLineSearch: 2 01:23:14 -42.215882 0.012769 LBFGSLineSearch: 3 01:23:15 -42.215906 0.004142 LBFGSLineSearch: 4 01:23:16 -42.215908 0.003669 LBFGSLineSearch: 5 01:23:17 -42.215910 0.002620 LBFGSLineSearch: 6 01:23:18 -42.215913 0.002328 LBFGSLineSearch: 7 01:23:21 -42.215915 0.002053 LBFGSLineSearch: 8 01:23:22 -42.215915 0.001672 LBFGSLineSearch: 9 01:23:23 -42.215916 0.001555 LBFGSLineSearch: 10 01:23:26 -42.215917 0.001070 LBFGSLineSearch: 11 01:23:30 -42.215917 0.000768 LBFGSLineSearch: 12 01:23:33 -42.215917 0.001005 LBFGSLineSearch: 13 01:23:34 -42.215917 0.000476 LBFGSLineSearch: 14 01:23:34 -42.215917 0.000765 LBFGSLineSearch: 15 01:23:34 -42.215917 0.000613 LBFGSLineSearch: 16 01:23:35 -42.215918 0.000962 LBFGSLineSearch: 17 01:23:35 -42.215918 0.000068 LBFGSLineSearch: 18 01:23:36 -42.215918 0.000022 LBFGSLineSearch: 19 01:23:36 -42.215918 0.000013 LBFGSLineSearch: 20 01:23:37 -42.215918 0.000001 Minimization converged after 20 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:23:48 -41.539168 0.067675 LBFGSLineSearch: 1 01:23:51 -41.540370 0.033429 LBFGSLineSearch: 2 01:23:55 -41.540560 0.013910 LBFGSLineSearch: 3 01:23:58 -41.540588 0.004406 LBFGSLineSearch: 4 01:23:59 -41.540590 0.003290 LBFGSLineSearch: 5 01:24:00 -41.540592 0.003717 LBFGSLineSearch: 6 01:24:03 -41.540593 0.003731 LBFGSLineSearch: 7 01:24:06 -41.540596 0.003035 LBFGSLineSearch: 8 01:24:09 -41.540598 0.003302 LBFGSLineSearch: 9 01:24:13 -41.540599 0.002963 LBFGSLineSearch: 10 01:24:16 -41.540601 0.001968 LBFGSLineSearch: 11 01:24:19 -41.540602 0.001144 LBFGSLineSearch: 12 01:24:20 -41.540602 0.000862 LBFGSLineSearch: 13 01:24:21 -41.540603 0.000846 LBFGSLineSearch: 14 01:24:23 -41.540603 0.000928 LBFGSLineSearch: 15 01:24:24 -41.540603 0.000622 LBFGSLineSearch: 16 01:24:27 -41.540603 0.000915 LBFGSLineSearch: 17 01:24:30 -41.540603 0.000315 LBFGSLineSearch: 18 01:24:32 -41.540603 0.000051 LBFGSLineSearch: 19 01:24:35 -41.540603 0.000021 LBFGSLineSearch: 20 01:24:37 -41.540603 0.000014 LBFGSLineSearch: 21 01:24:38 -41.540603 0.000001 Minimization converged after 21 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:24:51 -40.784185 0.075642 LBFGSLineSearch: 1 01:24:55 -40.785666 0.036850 LBFGSLineSearch: 2 01:24:57 -40.785892 0.015118 LBFGSLineSearch: 3 01:24:58 -40.785925 0.004658 LBFGSLineSearch: 4 01:24:59 -40.785927 0.003533 LBFGSLineSearch: 5 01:25:00 -40.785929 0.004159 LBFGSLineSearch: 6 01:25:01 -40.785931 0.004225 LBFGSLineSearch: 7 01:25:02 -40.785933 0.004628 LBFGSLineSearch: 8 01:25:03 -40.785936 0.003030 LBFGSLineSearch: 9 01:25:05 -40.785938 0.002943 LBFGSLineSearch: 10 01:25:07 -40.785941 0.002103 LBFGSLineSearch: 11 01:25:09 -40.785941 0.001886 LBFGSLineSearch: 12 01:25:13 -40.785942 0.001224 LBFGSLineSearch: 13 01:25:15 -40.785942 0.001000 LBFGSLineSearch: 14 01:25:19 -40.785943 0.000907 LBFGSLineSearch: 15 01:25:21 -40.785943 0.000598 LBFGSLineSearch: 16 01:25:24 -40.785943 0.000751 LBFGSLineSearch: 17 01:25:27 -40.785943 0.001554 LBFGSLineSearch: 18 01:25:28 -40.785944 0.000701 LBFGSLineSearch: 19 01:25:29 -40.785944 0.000579 LBFGSLineSearch: 20 01:25:30 -40.785944 0.000254 LBFGSLineSearch: 21 01:25:32 -40.785944 0.000078 LBFGSLineSearch: 22 01:25:34 -40.785944 0.000024 LBFGSLineSearch: 23 01:25:39 -40.785944 0.000006 Minimization converged after 23 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:25:56 -39.940822 0.084513 LBFGSLineSearch: 1 01:25:59 -39.942642 0.040555 LBFGSLineSearch: 2 01:26:02 -39.942909 0.016392 LBFGSLineSearch: 3 01:26:03 -39.942948 0.004911 LBFGSLineSearch: 4 01:26:04 -39.942951 0.003791 LBFGSLineSearch: 5 01:26:05 -39.942953 0.004667 LBFGSLineSearch: 6 01:26:06 -39.942955 0.004810 LBFGSLineSearch: 7 01:26:08 -39.942958 0.005290 LBFGSLineSearch: 8 01:26:09 -39.942962 0.003531 LBFGSLineSearch: 9 01:26:11 -39.942965 0.003375 LBFGSLineSearch: 10 01:26:13 -39.942968 0.002533 LBFGSLineSearch: 11 01:26:15 -39.942970 0.001626 LBFGSLineSearch: 12 01:26:18 -39.942970 0.001370 LBFGSLineSearch: 13 01:26:21 -39.942970 0.001094 LBFGSLineSearch: 14 01:26:25 -39.942971 0.001207 LBFGSLineSearch: 15 01:26:27 -39.942971 0.000701 LBFGSLineSearch: 16 01:26:30 -39.942971 0.001493 LBFGSLineSearch: 17 01:26:32 -39.942972 0.000945 LBFGSLineSearch: 18 01:26:34 -39.942972 0.000016 LBFGSLineSearch: 19 01:26:35 -39.942972 0.000010 Minimization converged after 19 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:26:48 -38.999157 0.094383 LBFGSLineSearch: 1 01:26:49 -39.001389 0.044571 LBFGSLineSearch: 2 01:26:50 -39.001704 0.017729 LBFGSLineSearch: 3 01:26:51 -39.001749 0.005342 LBFGSLineSearch: 4 01:26:52 -39.001752 0.004229 LBFGSLineSearch: 5 01:26:52 -39.001756 0.006185 LBFGSLineSearch: 6 01:26:53 -39.001760 0.004247 LBFGSLineSearch: 7 01:26:55 -39.001767 0.003698 LBFGSLineSearch: 8 01:26:57 -39.001770 0.005065 LBFGSLineSearch: 9 01:26:59 -39.001774 0.003034 LBFGSLineSearch: 10 01:27:03 -39.001777 0.001859 LBFGSLineSearch: 11 01:27:06 -39.001778 0.001224 LBFGSLineSearch: 12 01:27:07 -39.001778 0.001565 LBFGSLineSearch: 13 01:27:11 -39.001779 0.000896 LBFGSLineSearch: 14 01:27:12 -39.001779 0.001720 LBFGSLineSearch: 15 01:27:14 -39.001780 0.001641 LBFGSLineSearch: 16 01:27:16 -39.001780 0.001014 LBFGSLineSearch: 17 01:27:19 -39.001780 0.000771 LBFGSLineSearch: 18 01:27:20 -39.001780 0.000432 LBFGSLineSearch: 19 01:27:21 -39.001780 0.000108 LBFGSLineSearch: 20 01:27:22 -39.001780 0.000036 LBFGSLineSearch: 21 01:27:24 -39.001780 0.000022 LBFGSLineSearch: 22 01:27:25 -39.001780 0.000010 LBFGSLineSearch: 23 01:27:25 -39.001780 0.000006 Minimization converged after 23 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:27:37 -37.948240 0.105358 LBFGSLineSearch: 1 01:27:39 -37.950971 0.048901 LBFGSLineSearch: 2 01:27:40 -37.951339 0.019129 LBFGSLineSearch: 3 01:27:41 -37.951392 0.005998 LBFGSLineSearch: 4 01:27:43 -37.951396 0.004788 LBFGSLineSearch: 5 01:27:44 -37.951400 0.007094 LBFGSLineSearch: 6 01:27:45 -37.951407 0.004990 LBFGSLineSearch: 7 01:27:46 -37.951415 0.004732 LBFGSLineSearch: 8 01:27:47 -37.951420 0.004977 LBFGSLineSearch: 9 01:27:49 -37.951424 0.003783 LBFGSLineSearch: 10 01:27:50 -37.951427 0.002599 LBFGSLineSearch: 11 01:27:51 -37.951429 0.002076 LBFGSLineSearch: 12 01:27:52 -37.951429 0.001766 LBFGSLineSearch: 13 01:27:53 -37.951430 0.001956 LBFGSLineSearch: 14 01:27:55 -37.951431 0.001783 LBFGSLineSearch: 15 01:27:56 -37.951431 0.001117 LBFGSLineSearch: 16 01:27:58 -37.951432 0.002369 LBFGSLineSearch: 17 01:27:59 -37.951433 0.000625 LBFGSLineSearch: 18 01:27:59 -37.951433 0.000589 LBFGSLineSearch: 19 01:28:00 -37.951433 0.000391 LBFGSLineSearch: 20 01:28:01 -37.951433 0.000217 LBFGSLineSearch: 21 01:28:03 -37.951433 0.000115 LBFGSLineSearch: 22 01:28:03 -37.951433 0.000053 LBFGSLineSearch: 23 01:28:05 -37.951433 0.000065 LBFGSLineSearch: 24 01:28:06 -37.951433 0.000017 LBFGSLineSearch: 25 01:28:07 -37.951433 0.000013 LBFGSLineSearch: 26 01:28:09 -37.951433 0.000007 Minimization converged after 26 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:28:23 -36.776000 0.117548 LBFGSLineSearch: 1 01:28:25 -36.779333 0.053571 LBFGSLineSearch: 2 01:28:26 -36.779763 0.020590 LBFGSLineSearch: 3 01:28:27 -36.779824 0.006744 LBFGSLineSearch: 4 01:28:28 -36.779830 0.005445 LBFGSLineSearch: 5 01:28:29 -36.779835 0.008207 LBFGSLineSearch: 6 01:28:31 -36.779843 0.005863 LBFGSLineSearch: 7 01:28:33 -36.779855 0.006072 LBFGSLineSearch: 8 01:28:34 -36.779862 0.003998 LBFGSLineSearch: 9 01:28:34 -36.779865 0.004228 LBFGSLineSearch: 10 01:28:35 -36.779868 0.003988 LBFGSLineSearch: 11 01:28:38 -36.779873 0.002087 LBFGSLineSearch: 12 01:28:40 -36.779875 0.002119 LBFGSLineSearch: 13 01:28:42 -36.779876 0.002636 LBFGSLineSearch: 14 01:28:45 -36.779876 0.001235 LBFGSLineSearch: 15 01:28:47 -36.779877 0.002485 LBFGSLineSearch: 16 01:28:50 -36.779879 0.000508 LBFGSLineSearch: 17 01:28:54 -36.779879 0.000203 LBFGSLineSearch: 18 01:28:56 -36.779879 0.000192 LBFGSLineSearch: 19 01:28:59 -36.779879 0.000149 LBFGSLineSearch: 20 01:29:00 -36.779879 0.000073 LBFGSLineSearch: 21 01:29:02 -36.779879 0.000037 LBFGSLineSearch: 22 01:29:04 -36.779879 0.000012 LBFGSLineSearch: 23 01:29:05 -36.779879 0.000012 LBFGSLineSearch: 24 01:29:05 -36.779879 0.000000 Minimization converged after 24 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:29:17 -35.469154 0.131073 LBFGSLineSearch: 1 01:29:20 -35.473210 0.058594 LBFGSLineSearch: 2 01:29:23 -35.473708 0.022113 LBFGSLineSearch: 3 01:29:27 -35.473780 0.007576 LBFGSLineSearch: 4 01:29:28 -35.473787 0.006233 LBFGSLineSearch: 5 01:29:30 -35.473793 0.009597 LBFGSLineSearch: 6 01:29:31 -35.473805 0.006636 LBFGSLineSearch: 7 01:29:33 -35.473820 0.007945 LBFGSLineSearch: 8 01:29:35 -35.473828 0.006461 LBFGSLineSearch: 9 01:29:36 -35.473835 0.005113 LBFGSLineSearch: 10 01:29:40 -35.473847 0.002575 LBFGSLineSearch: 11 01:29:43 -35.473848 0.002294 LBFGSLineSearch: 12 01:29:43 -35.473850 0.001783 LBFGSLineSearch: 13 01:29:44 -35.473851 0.002257 LBFGSLineSearch: 14 01:29:46 -35.473852 0.002571 LBFGSLineSearch: 15 01:29:48 -35.473854 0.003286 LBFGSLineSearch: 16 01:29:51 -35.473856 0.001255 LBFGSLineSearch: 17 01:29:52 -35.473856 0.000470 LBFGSLineSearch: 18 01:29:54 -35.473856 0.000391 LBFGSLineSearch: 19 01:29:58 -35.473856 0.000147 LBFGSLineSearch: 20 01:29:59 -35.473856 0.000137 LBFGSLineSearch: 21 01:30:01 -35.473856 0.000051 LBFGSLineSearch: 22 01:30:03 -35.473856 0.000055 LBFGSLineSearch: 23 01:30:05 -35.473856 0.000020 LBFGSLineSearch: 24 01:30:07 -35.473856 0.000005 Minimization converged after 24 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:21 -34.013103 0.146077 LBFGSLineSearch: 1 01:30:22 -34.018025 0.063990 LBFGSLineSearch: 2 01:30:23 -34.018599 0.023695 LBFGSLineSearch: 3 01:30:23 -34.018684 0.008521 LBFGSLineSearch: 4 01:30:24 -34.018692 0.007190 LBFGSLineSearch: 5 01:30:25 -34.018700 0.011365 LBFGSLineSearch: 6 01:30:25 -34.018718 0.007421 LBFGSLineSearch: 7 01:30:25 -34.018736 0.009364 LBFGSLineSearch: 8 01:30:26 -34.018745 0.007852 LBFGSLineSearch: 9 01:30:27 -34.018758 0.006431 LBFGSLineSearch: 10 01:30:28 -34.018777 0.003329 LBFGSLineSearch: 11 01:30:29 -34.018779 0.002942 LBFGSLineSearch: 12 01:30:30 -34.018783 0.002429 LBFGSLineSearch: 13 01:30:31 -34.018789 0.003837 LBFGSLineSearch: 14 01:30:33 -34.018791 0.002310 LBFGSLineSearch: 15 01:30:35 -34.018792 0.001127 LBFGSLineSearch: 16 01:30:37 -34.018792 0.000629 LBFGSLineSearch: 17 01:30:39 -34.018792 0.000295 LBFGSLineSearch: 18 01:30:40 -34.018792 0.000167 LBFGSLineSearch: 19 01:30:41 -34.018792 0.000093 LBFGSLineSearch: 20 01:30:41 -34.018792 0.000079 LBFGSLineSearch: 21 01:30:42 -34.018792 0.000037 LBFGSLineSearch: 22 01:30:43 -34.018792 0.000035 LBFGSLineSearch: 23 01:30:43 -34.018792 0.000012 LBFGSLineSearch: 24 01:30:45 -34.018792 0.000001 Minimization converged after 24 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:30:55 -32.391838 0.162696 LBFGSLineSearch: 1 01:30:56 -32.397794 0.069785 LBFGSLineSearch: 2 01:30:59 -32.398452 0.025356 LBFGSLineSearch: 3 01:31:01 -32.398553 0.009621 LBFGSLineSearch: 4 01:31:02 -32.398562 0.008374 LBFGSLineSearch: 5 01:31:03 -32.398575 0.013677 LBFGSLineSearch: 6 01:31:04 -32.398601 0.008209 LBFGSLineSearch: 7 01:31:06 -32.398623 0.011062 LBFGSLineSearch: 8 01:31:07 -32.398638 0.009381 LBFGSLineSearch: 9 01:31:08 -32.398658 0.008208 LBFGSLineSearch: 10 01:31:09 -32.398689 0.004446 LBFGSLineSearch: 11 01:31:10 -32.398692 0.003927 LBFGSLineSearch: 12 01:31:12 -32.398700 0.003684 LBFGSLineSearch: 13 01:31:13 -32.398706 0.005916 LBFGSLineSearch: 14 01:31:14 -32.398711 0.004375 LBFGSLineSearch: 15 01:31:16 -32.398715 0.002823 LBFGSLineSearch: 16 01:31:18 -32.398716 0.001074 LBFGSLineSearch: 17 01:31:20 -32.398716 0.000578 LBFGSLineSearch: 18 01:31:22 -32.398717 0.000139 LBFGSLineSearch: 19 01:31:24 -32.398717 0.000077 LBFGSLineSearch: 20 01:31:25 -32.398717 0.000060 LBFGSLineSearch: 21 01:31:27 -32.398717 0.000060 LBFGSLineSearch: 22 01:31:29 -32.398717 0.000063 LBFGSLineSearch: 23 01:31:29 -32.398717 0.000010 LBFGSLineSearch: 24 01:31:31 -32.398717 0.000000 Minimization converged after 24 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:31:43 -30.587860 0.181086 LBFGSLineSearch: 1 01:31:44 -30.595045 0.076015 LBFGSLineSearch: 2 01:31:45 -30.595796 0.027099 LBFGSLineSearch: 3 01:31:47 -30.595916 0.010922 LBFGSLineSearch: 4 01:31:48 -30.595928 0.009894 LBFGSLineSearch: 5 01:31:50 -30.595946 0.016811 LBFGSLineSearch: 6 01:31:50 -30.595987 0.010052 LBFGSLineSearch: 7 01:31:53 -30.596017 0.013504 LBFGSLineSearch: 8 01:31:55 -30.596041 0.011598 LBFGSLineSearch: 9 01:31:57 -30.596073 0.010828 LBFGSLineSearch: 10 01:31:59 -30.596130 0.006628 LBFGSLineSearch: 11 01:32:01 -30.596136 0.005709 LBFGSLineSearch: 12 01:32:03 -30.596151 0.005797 LBFGSLineSearch: 13 01:32:04 -30.596160 0.006248 LBFGSLineSearch: 14 01:32:06 -30.596168 0.009506 LBFGSLineSearch: 15 01:32:09 -30.596183 0.004429 LBFGSLineSearch: 16 01:32:12 -30.596186 0.004370 LBFGSLineSearch: 17 01:32:15 -30.596187 0.003050 LBFGSLineSearch: 18 01:32:17 -30.596188 0.001496 LBFGSLineSearch: 19 01:32:17 -30.596188 0.001420 LBFGSLineSearch: 20 01:32:18 -30.596188 0.001024 LBFGSLineSearch: 21 01:32:19 -30.596189 0.000271 LBFGSLineSearch: 22 01:32:19 -30.596189 0.000125 LBFGSLineSearch: 23 01:32:19 -30.596189 0.000110 LBFGSLineSearch: 24 01:32:20 -30.596189 0.000103 LBFGSLineSearch: 25 01:32:20 -30.596189 0.000093 LBFGSLineSearch: 26 01:32:21 -30.596189 0.000095 LBFGSLineSearch: 27 01:32:21 -30.596189 0.000093 LBFGSLineSearch: 28 01:32:21 -30.596189 0.000064 LBFGSLineSearch: 29 01:32:22 -30.596189 0.000001 Minimization converged after 29 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:32:34 -28.582158 0.201404 LBFGSLineSearch: 1 01:32:36 -28.590797 0.082760 LBFGSLineSearch: 2 01:32:37 -28.591649 0.028953 LBFGSLineSearch: 3 01:32:38 -28.591796 0.012604 LBFGSLineSearch: 4 01:32:39 -28.591819 0.016922 LBFGSLineSearch: 5 01:32:41 -28.591873 0.014783 LBFGSLineSearch: 6 01:32:42 -28.591912 0.015788 LBFGSLineSearch: 7 01:32:43 -28.591964 0.016907 LBFGSLineSearch: 8 01:32:44 -28.592030 0.012802 LBFGSLineSearch: 9 01:32:46 -28.592062 0.018012 LBFGSLineSearch: 10 01:32:47 -28.592173 0.009336 LBFGSLineSearch: 11 01:32:48 -28.592195 0.010132 LBFGSLineSearch: 12 01:32:49 -28.592216 0.011512 LBFGSLineSearch: 13 01:32:50 -28.592250 0.009877 LBFGSLineSearch: 14 01:32:51 -28.592284 0.008579 LBFGSLineSearch: 15 01:32:52 -28.592305 0.012819 LBFGSLineSearch: 16 01:32:53 -28.592334 0.017457 LBFGSLineSearch: 17 01:32:53 -28.592365 0.007474 LBFGSLineSearch: 18 01:32:54 -28.592370 0.003193 LBFGSLineSearch: 19 01:32:55 -28.592372 0.003173 LBFGSLineSearch: 20 01:32:56 -28.592374 0.001120 LBFGSLineSearch: 21 01:32:57 -28.592374 0.000386 LBFGSLineSearch: 22 01:32:58 -28.592374 0.000180 LBFGSLineSearch: 23 01:32:58 -28.592374 0.000169 LBFGSLineSearch: 24 01:32:59 -28.592374 0.000167 LBFGSLineSearch: 25 01:32:59 -28.592374 0.000160 LBFGSLineSearch: 26 01:32:59 -28.592374 0.000159 LBFGSLineSearch: 27 01:33:00 -28.592374 0.000002 Minimization converged after 27 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:33:13 -26.354693 0.223769 LBFGSLineSearch: 1 01:33:14 -26.365042 0.090297 LBFGSLineSearch: 2 01:33:16 -26.366004 0.030973 LBFGSLineSearch: 3 01:33:18 -26.366197 0.015273 LBFGSLineSearch: 4 01:33:19 -26.366235 0.023007 LBFGSLineSearch: 5 01:33:20 -26.366339 0.020610 LBFGSLineSearch: 6 01:33:23 -26.366409 0.020958 LBFGSLineSearch: 7 01:33:26 -26.366521 0.023980 LBFGSLineSearch: 8 01:33:28 -26.366682 0.023072 LBFGSLineSearch: 9 01:33:29 -26.366815 0.038686 LBFGSLineSearch: 10 01:33:30 -26.367386 0.023158 LBFGSLineSearch: 11 01:33:32 -26.367954 0.075556 LBFGSLineSearch: 12 01:33:33 -26.371976 0.207759 LBFGSLineSearch: 13 01:33:34 -26.372422 0.237269 LBFGSLineSearch: 14 01:33:34 -26.384297 0.300969 LBFGSLineSearch: 15 01:33:35 -26.404368 0.359564 LBFGSLineSearch: 16 01:33:35 -26.420616 0.309545 LBFGSLineSearch: 17 01:33:36 -26.435364 0.232186 LBFGSLineSearch: 18 01:33:37 -26.447768 0.219791 LBFGSLineSearch: 19 01:33:38 -26.463074 0.158040 LBFGSLineSearch: 20 01:33:38 -26.470702 0.160637 LBFGSLineSearch: 21 01:33:38 -26.476576 0.160087 LBFGSLineSearch: 22 01:33:39 -26.485175 0.194367 LBFGSLineSearch: 23 01:33:40 -26.487904 0.123955 LBFGSLineSearch: 24 01:33:41 -26.489404 0.064284 LBFGSLineSearch: 25 01:33:42 -26.489873 0.037171 LBFGSLineSearch: 26 01:33:43 -26.490065 0.011960 LBFGSLineSearch: 27 01:33:45 -26.490080 0.007636 LBFGSLineSearch: 28 01:33:45 -26.490085 0.005942 LBFGSLineSearch: 29 01:33:48 -26.490089 0.003041 LBFGSLineSearch: 30 01:33:51 -26.490090 0.002811 LBFGSLineSearch: 31 01:33:52 -26.490091 0.002685 LBFGSLineSearch: 32 01:33:54 -26.490098 0.004719 LBFGSLineSearch: 33 01:33:56 -26.490104 0.004422 LBFGSLineSearch: 34 01:33:59 -26.490128 0.001913 LBFGSLineSearch: 35 01:34:01 -26.490130 0.000177 LBFGSLineSearch: 36 01:34:02 -26.490130 0.000012 LBFGSLineSearch: 37 01:34:05 -26.490130 0.000001 Minimization converged after 37 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:34:14 -24.030393 0.245974 LBFGSLineSearch: 1 01:34:15 -24.042549 0.107667 LBFGSLineSearch: 2 01:34:16 -24.043397 0.023814 LBFGSLineSearch: 3 01:34:19 -24.043517 0.015370 LBFGSLineSearch: 4 01:34:22 -24.043553 0.014878 LBFGSLineSearch: 5 01:34:24 -24.043571 0.011582 LBFGSLineSearch: 6 01:34:25 -24.043580 0.006962 LBFGSLineSearch: 7 01:34:26 -24.043586 0.004326 LBFGSLineSearch: 8 01:34:28 -24.043588 0.003597 LBFGSLineSearch: 9 01:34:29 -24.043589 0.002683 LBFGSLineSearch: 10 01:34:29 -24.043590 0.002356 LBFGSLineSearch: 11 01:34:30 -24.043591 0.002095 LBFGSLineSearch: 12 01:34:31 -24.043592 0.002805 LBFGSLineSearch: 13 01:34:33 -24.043593 0.002166 LBFGSLineSearch: 14 01:34:34 -24.043594 0.001890 LBFGSLineSearch: 15 01:34:36 -24.043594 0.001070 LBFGSLineSearch: 16 01:34:38 -24.043594 0.000638 LBFGSLineSearch: 17 01:34:40 -24.043594 0.000417 LBFGSLineSearch: 18 01:34:41 -24.043594 0.000394 LBFGSLineSearch: 19 01:34:42 -24.043594 0.000551 LBFGSLineSearch: 20 01:34:43 -24.043594 0.000457 LBFGSLineSearch: 21 01:34:44 -24.043595 0.000239 LBFGSLineSearch: 22 01:34:45 -24.043595 0.000072 LBFGSLineSearch: 23 01:34:46 -24.043595 0.000057 LBFGSLineSearch: 24 01:34:47 -24.043595 0.000007 Minimization converged after 24 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:00 -21.311972 0.273170 LBFGSLineSearch: 1 01:35:03 -21.323566 0.125908 LBFGSLineSearch: 2 01:35:04 -21.327068 0.066417 LBFGSLineSearch: 3 01:35:06 -21.327419 0.021754 LBFGSLineSearch: 4 01:35:07 -21.327492 0.018021 LBFGSLineSearch: 5 01:35:08 -21.327581 0.013886 LBFGSLineSearch: 6 01:35:10 -21.327597 0.006219 LBFGSLineSearch: 7 01:35:12 -21.327601 0.003160 LBFGSLineSearch: 8 01:35:13 -21.327603 0.002468 LBFGSLineSearch: 9 01:35:14 -21.327604 0.002520 LBFGSLineSearch: 10 01:35:15 -21.327605 0.002495 LBFGSLineSearch: 11 01:35:16 -21.327607 0.002715 LBFGSLineSearch: 12 01:35:16 -21.327607 0.001484 LBFGSLineSearch: 13 01:35:17 -21.327607 0.001641 LBFGSLineSearch: 14 01:35:17 -21.327608 0.001132 LBFGSLineSearch: 15 01:35:18 -21.327608 0.000496 LBFGSLineSearch: 16 01:35:19 -21.327608 0.000500 LBFGSLineSearch: 17 01:35:22 -21.327608 0.000471 LBFGSLineSearch: 18 01:35:24 -21.327608 0.000164 LBFGSLineSearch: 19 01:35:25 -21.327608 0.000143 LBFGSLineSearch: 20 01:35:27 -21.327608 0.000073 LBFGSLineSearch: 21 01:35:30 -21.327608 0.000048 LBFGSLineSearch: 22 01:35:32 -21.327608 0.000024 LBFGSLineSearch: 23 01:35:33 -21.327608 0.000000 Minimization converged after 23 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:35:45 -18.296198 0.303141 LBFGSLineSearch: 1 01:35:46 -18.310278 0.133605 LBFGSLineSearch: 2 01:35:46 -18.314097 0.068543 LBFGSLineSearch: 3 01:35:47 -18.314462 0.022239 LBFGSLineSearch: 4 01:35:48 -18.314541 0.018687 LBFGSLineSearch: 5 01:35:51 -18.314633 0.014560 LBFGSLineSearch: 6 01:35:52 -18.314650 0.006668 LBFGSLineSearch: 7 01:35:54 -18.314655 0.003609 LBFGSLineSearch: 8 01:35:55 -18.314656 0.002719 LBFGSLineSearch: 9 01:35:56 -18.314658 0.002807 LBFGSLineSearch: 10 01:35:56 -18.314660 0.003063 LBFGSLineSearch: 11 01:35:57 -18.314662 0.002287 LBFGSLineSearch: 12 01:35:58 -18.314662 0.002088 LBFGSLineSearch: 13 01:35:58 -18.314663 0.002133 LBFGSLineSearch: 14 01:35:59 -18.314663 0.000800 LBFGSLineSearch: 15 01:36:00 -18.314663 0.000672 LBFGSLineSearch: 16 01:36:00 -18.314663 0.000516 LBFGSLineSearch: 17 01:36:01 -18.314663 0.000582 LBFGSLineSearch: 18 01:36:01 -18.314663 0.000219 LBFGSLineSearch: 19 01:36:01 -18.314663 0.000173 LBFGSLineSearch: 20 01:36:02 -18.314663 0.000134 LBFGSLineSearch: 21 01:36:03 -18.314663 0.000148 LBFGSLineSearch: 22 01:36:03 -18.314663 0.000049 LBFGSLineSearch: 23 01:36:04 -18.314663 0.000003 Minimization converged after 23 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:16 -14.953018 0.336167 LBFGSLineSearch: 1 01:36:17 -14.970064 0.140737 LBFGSLineSearch: 2 01:36:18 -14.974170 0.070230 LBFGSLineSearch: 3 01:36:19 -14.974545 0.022671 LBFGSLineSearch: 4 01:36:20 -14.974631 0.019247 LBFGSLineSearch: 5 01:36:20 -14.974725 0.015134 LBFGSLineSearch: 6 01:36:20 -14.974743 0.007031 LBFGSLineSearch: 7 01:36:21 -14.974748 0.004089 LBFGSLineSearch: 8 01:36:21 -14.974750 0.003017 LBFGSLineSearch: 9 01:36:23 -14.974752 0.003162 LBFGSLineSearch: 10 01:36:24 -14.974754 0.003766 LBFGSLineSearch: 11 01:36:26 -14.974756 0.002120 LBFGSLineSearch: 12 01:36:28 -14.974757 0.003160 LBFGSLineSearch: 13 01:36:29 -14.974758 0.001201 LBFGSLineSearch: 14 01:36:30 -14.974758 0.000818 LBFGSLineSearch: 15 01:36:31 -14.974758 0.000887 LBFGSLineSearch: 16 01:36:32 -14.974758 0.000837 LBFGSLineSearch: 17 01:36:33 -14.974759 0.000351 LBFGSLineSearch: 18 01:36:34 -14.974759 0.000265 LBFGSLineSearch: 19 01:36:37 -14.974759 0.000470 LBFGSLineSearch: 20 01:36:41 -14.974759 0.000003 Minimization converged after 20 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:36:51 -11.249686 0.372506 LBFGSLineSearch: 1 01:36:52 -11.270259 0.146973 LBFGSLineSearch: 2 01:36:52 -11.274601 0.071365 LBFGSLineSearch: 3 01:36:52 -11.274981 0.023047 LBFGSLineSearch: 4 01:36:53 -11.275075 0.019658 LBFGSLineSearch: 5 01:36:53 -11.275171 0.015561 LBFGSLineSearch: 6 01:36:56 -11.275189 0.007282 LBFGSLineSearch: 7 01:36:59 -11.275195 0.004610 LBFGSLineSearch: 8 01:37:02 -11.275197 0.003342 LBFGSLineSearch: 9 01:37:03 -11.275199 0.003613 LBFGSLineSearch: 10 01:37:05 -11.275202 0.004355 LBFGSLineSearch: 11 01:37:05 -11.275205 0.002893 LBFGSLineSearch: 12 01:37:05 -11.275206 0.003520 LBFGSLineSearch: 13 01:37:05 -11.275207 0.001389 LBFGSLineSearch: 14 01:37:06 -11.275207 0.000947 LBFGSLineSearch: 15 01:37:06 -11.275207 0.000841 LBFGSLineSearch: 16 01:37:06 -11.275207 0.000755 LBFGSLineSearch: 17 01:37:06 -11.275207 0.000538 LBFGSLineSearch: 18 01:37:07 -11.275207 0.000461 LBFGSLineSearch: 19 01:37:08 -11.275208 0.000427 LBFGSLineSearch: 20 01:37:10 -11.275208 0.000129 LBFGSLineSearch: 21 01:37:12 -11.275208 0.000002 Minimization converged after 21 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:37:23 -7.150565 0.412465 LBFGSLineSearch: 1 01:37:24 -7.175309 0.151906 LBFGSLineSearch: 2 01:37:25 -7.179816 0.071858 LBFGSLineSearch: 3 01:37:25 -7.180196 0.023372 LBFGSLineSearch: 4 01:37:26 -7.180299 0.019869 LBFGSLineSearch: 5 01:37:26 -7.180396 0.015781 LBFGSLineSearch: 6 01:37:27 -7.180414 0.007396 LBFGSLineSearch: 7 01:37:28 -7.180420 0.005180 LBFGSLineSearch: 8 01:37:29 -7.180423 0.003682 LBFGSLineSearch: 9 01:37:30 -7.180426 0.004265 LBFGSLineSearch: 10 01:37:31 -7.180429 0.004900 LBFGSLineSearch: 11 01:37:32 -7.180433 0.004097 LBFGSLineSearch: 12 01:37:35 -7.180435 0.002075 LBFGSLineSearch: 13 01:37:38 -7.180435 0.001520 LBFGSLineSearch: 14 01:37:39 -7.180435 0.001038 LBFGSLineSearch: 15 01:37:41 -7.180435 0.001045 LBFGSLineSearch: 16 01:37:43 -7.180435 0.001024 LBFGSLineSearch: 17 01:37:47 -7.180435 0.001585 LBFGSLineSearch: 18 01:37:49 -7.180436 0.000779 LBFGSLineSearch: 19 01:37:50 -7.180436 0.000985 LBFGSLineSearch: 20 01:37:51 -7.180436 0.000828 LBFGSLineSearch: 21 01:37:51 -7.180436 0.000666 LBFGSLineSearch: 22 01:37:52 -7.180436 0.000732 LBFGSLineSearch: 23 01:37:52 -7.180436 0.000947 LBFGSLineSearch: 24 01:37:53 -7.180437 0.001759 LBFGSLineSearch: 25 01:37:53 -7.180437 0.000015 LBFGSLineSearch: 26 01:37:55 -7.180437 0.000000 Minimization converged after 26 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:05 -2.616908 0.456353 LBFGSLineSearch: 1 01:38:05 -2.646559 0.155022 LBFGSLineSearch: 2 01:38:06 -2.651137 0.071579 LBFGSLineSearch: 3 01:38:07 -2.651435 0.041763 LBFGSLineSearch: 4 01:38:08 -2.651583 0.019832 LBFGSLineSearch: 5 01:38:08 -2.651671 0.031170 LBFGSLineSearch: 6 01:38:09 -2.651732 0.011030 LBFGSLineSearch: 7 01:38:12 -2.651744 0.005706 LBFGSLineSearch: 8 01:38:13 -2.651749 0.005116 LBFGSLineSearch: 9 01:38:13 -2.651752 0.004929 LBFGSLineSearch: 10 01:38:14 -2.651756 0.005663 LBFGSLineSearch: 11 01:38:14 -2.651761 0.004770 LBFGSLineSearch: 12 01:38:15 -2.651764 0.004214 LBFGSLineSearch: 13 01:38:17 -2.651765 0.001784 LBFGSLineSearch: 14 01:38:18 -2.651766 0.001387 LBFGSLineSearch: 15 01:38:19 -2.651766 0.001029 LBFGSLineSearch: 16 01:38:23 -2.651766 0.001499 LBFGSLineSearch: 17 01:38:26 -2.651767 0.001030 LBFGSLineSearch: 18 01:38:28 -2.651767 0.001147 LBFGSLineSearch: 19 01:38:29 -2.651767 0.000971 LBFGSLineSearch: 20 01:38:31 -2.651769 0.000294 LBFGSLineSearch: 21 01:38:32 -2.651769 0.000002 Minimization converged after 21 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:38:41 2.393371 0.504514 LBFGSLineSearch: 1 01:38:43 2.357980 0.155705 LBFGSLineSearch: 2 01:38:43 2.353445 0.070394 LBFGSLineSearch: 3 01:38:44 2.353148 0.041879 LBFGSLineSearch: 4 01:38:44 2.353005 0.020665 LBFGSLineSearch: 5 01:38:46 2.352913 0.031830 LBFGSLineSearch: 6 01:38:47 2.352851 0.010412 LBFGSLineSearch: 7 01:38:47 2.352839 0.006112 LBFGSLineSearch: 8 01:38:50 2.352833 0.005597 LBFGSLineSearch: 9 01:38:52 2.352829 0.005448 LBFGSLineSearch: 10 01:38:52 2.352824 0.006706 LBFGSLineSearch: 11 01:38:54 2.352818 0.004448 LBFGSLineSearch: 12 01:38:55 2.352815 0.004333 LBFGSLineSearch: 13 01:38:56 2.352814 0.001985 LBFGSLineSearch: 14 01:38:57 2.352813 0.001395 LBFGSLineSearch: 15 01:38:58 2.352813 0.001323 LBFGSLineSearch: 16 01:39:01 2.352812 0.001959 LBFGSLineSearch: 17 01:39:02 2.352811 0.001604 LBFGSLineSearch: 18 01:39:06 2.352811 0.001564 LBFGSLineSearch: 19 01:39:08 2.352811 0.001296 LBFGSLineSearch: 20 01:39:10 2.352809 0.000153 LBFGSLineSearch: 21 01:39:10 2.352809 0.000000 Minimization converged after 21 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:39:21 7.925946 0.557314 LBFGSLineSearch: 1 01:39:23 7.883885 0.153201 LBFGSLineSearch: 2 01:39:25 7.879523 0.068805 LBFGSLineSearch: 3 01:39:27 7.879229 0.041590 LBFGSLineSearch: 4 01:39:28 7.879093 0.021537 LBFGSLineSearch: 5 01:39:31 7.878994 0.031996 LBFGSLineSearch: 6 01:39:33 7.878934 0.009559 LBFGSLineSearch: 7 01:39:35 7.878921 0.006454 LBFGSLineSearch: 8 01:39:37 7.878915 0.006083 LBFGSLineSearch: 9 01:39:39 7.878909 0.005888 LBFGSLineSearch: 10 01:39:40 7.878903 0.007735 LBFGSLineSearch: 11 01:39:42 7.878896 0.005611 LBFGSLineSearch: 12 01:39:43 7.878893 0.003685 LBFGSLineSearch: 13 01:39:45 7.878892 0.002140 LBFGSLineSearch: 14 01:39:45 7.878892 0.001411 LBFGSLineSearch: 15 01:39:46 7.878891 0.001812 LBFGSLineSearch: 16 01:39:47 7.878890 0.002229 LBFGSLineSearch: 17 01:39:50 7.878889 0.002653 LBFGSLineSearch: 18 01:39:53 7.878888 0.001935 LBFGSLineSearch: 19 01:39:56 7.878887 0.001404 LBFGSLineSearch: 20 01:39:58 7.878887 0.001644 LBFGSLineSearch: 21 01:39:59 7.878885 0.000438 LBFGSLineSearch: 22 01:40:00 7.878885 0.000001 Minimization converged after 22 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:10 14.030336 0.615145 LBFGSLineSearch: 1 01:40:11 13.980579 0.148172 LBFGSLineSearch: 2 01:40:11 13.976523 0.070148 LBFGSLineSearch: 3 01:40:13 13.976239 0.040831 LBFGSLineSearch: 4 01:40:13 13.976107 0.022475 LBFGSLineSearch: 5 01:40:15 13.976002 0.031342 LBFGSLineSearch: 6 01:40:16 13.975945 0.008470 LBFGSLineSearch: 7 01:40:17 13.975933 0.006625 LBFGSLineSearch: 8 01:40:17 13.975925 0.006565 LBFGSLineSearch: 9 01:40:19 13.975918 0.006794 LBFGSLineSearch: 10 01:40:20 13.975910 0.008442 LBFGSLineSearch: 11 01:40:22 13.975903 0.006541 LBFGSLineSearch: 12 01:40:22 13.975900 0.002807 LBFGSLineSearch: 13 01:40:23 13.975899 0.002038 LBFGSLineSearch: 14 01:40:24 13.975898 0.001768 LBFGSLineSearch: 15 01:40:25 13.975898 0.001715 LBFGSLineSearch: 16 01:40:26 13.975897 0.003215 LBFGSLineSearch: 17 01:40:28 13.975894 0.002649 LBFGSLineSearch: 18 01:40:31 13.975893 0.002086 LBFGSLineSearch: 19 01:40:31 13.975892 0.001915 LBFGSLineSearch: 20 01:40:32 13.975892 0.001675 LBFGSLineSearch: 21 01:40:32 13.975890 0.000206 LBFGSLineSearch: 22 01:40:33 13.975890 0.000001 Minimization converged after 22 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:40:42 20.760182 0.678430 LBFGSLineSearch: 1 01:40:44 20.701620 0.165306 LBFGSLineSearch: 2 01:40:45 20.697995 0.070975 LBFGSLineSearch: 3 01:40:46 20.697723 0.039536 LBFGSLineSearch: 4 01:40:47 20.697595 0.023526 LBFGSLineSearch: 5 01:40:48 20.697502 0.026312 LBFGSLineSearch: 6 01:40:49 20.697446 0.014648 LBFGSLineSearch: 7 01:40:50 20.697429 0.008472 LBFGSLineSearch: 8 01:40:51 20.697422 0.007407 LBFGSLineSearch: 9 01:40:53 20.697415 0.006727 LBFGSLineSearch: 10 01:40:54 20.697407 0.006305 LBFGSLineSearch: 11 01:40:55 20.697396 0.005677 LBFGSLineSearch: 12 01:40:56 20.697389 0.006431 LBFGSLineSearch: 13 01:40:57 20.697383 0.004022 LBFGSLineSearch: 14 01:40:58 20.697381 0.002195 LBFGSLineSearch: 15 01:40:59 20.697380 0.002219 LBFGSLineSearch: 16 01:41:00 20.697379 0.002360 LBFGSLineSearch: 17 01:41:01 20.697377 0.004278 LBFGSLineSearch: 18 01:41:02 20.697374 0.003343 LBFGSLineSearch: 19 01:41:02 20.697371 0.002574 LBFGSLineSearch: 20 01:41:03 20.697370 0.002022 LBFGSLineSearch: 21 01:41:03 20.697370 0.001777 LBFGSLineSearch: 22 01:41:04 20.697370 0.002187 LBFGSLineSearch: 23 01:41:04 20.697369 0.001496 LBFGSLineSearch: 24 01:41:06 20.697368 0.001389 LBFGSLineSearch: 25 01:41:06 20.697368 0.000419 LBFGSLineSearch: 26 01:41:07 20.697368 0.000000 Minimization converged after 26 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:19 28.173548 0.747618 LBFGSLineSearch: 1 01:41:20 28.105006 0.184606 LBFGSLineSearch: 2 01:41:21 28.101894 0.071169 LBFGSLineSearch: 3 01:41:22 28.101638 0.037692 LBFGSLineSearch: 4 01:41:23 28.101511 0.024760 LBFGSLineSearch: 5 01:41:25 28.101406 0.025118 LBFGSLineSearch: 6 01:41:25 28.101360 0.012055 LBFGSLineSearch: 7 01:41:25 28.101346 0.008928 LBFGSLineSearch: 8 01:41:25 28.101338 0.007114 LBFGSLineSearch: 9 01:41:28 28.101327 0.006246 LBFGSLineSearch: 10 01:41:29 28.101316 0.006132 LBFGSLineSearch: 11 01:41:30 28.101304 0.007913 LBFGSLineSearch: 12 01:41:32 28.101297 0.004887 LBFGSLineSearch: 13 01:41:34 28.101294 0.002941 LBFGSLineSearch: 14 01:41:36 28.101293 0.002578 LBFGSLineSearch: 15 01:41:37 28.101292 0.002415 LBFGSLineSearch: 16 01:41:39 28.101289 0.004867 LBFGSLineSearch: 17 01:41:40 28.101284 0.003926 LBFGSLineSearch: 18 01:41:40 28.101280 0.003526 LBFGSLineSearch: 19 01:41:41 28.101280 0.001964 LBFGSLineSearch: 20 01:41:42 28.101279 0.001729 LBFGSLineSearch: 21 01:41:43 28.101279 0.001958 LBFGSLineSearch: 22 01:41:43 28.101279 0.001498 LBFGSLineSearch: 23 01:41:45 28.101278 0.001246 LBFGSLineSearch: 24 01:41:46 28.101278 0.000340 LBFGSLineSearch: 25 01:41:47 28.101278 0.000000 Minimization converged after 25 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:41:58 36.333230 0.823195 LBFGSLineSearch: 1 01:41:59 36.253502 0.206376 LBFGSLineSearch: 2 01:41:59 36.250904 0.070593 LBFGSLineSearch: 3 01:42:00 36.250665 0.035534 LBFGSLineSearch: 4 01:42:01 36.250495 0.040886 LBFGSLineSearch: 5 01:42:01 36.250388 0.010906 LBFGSLineSearch: 6 01:42:04 36.250372 0.008535 LBFGSLineSearch: 7 01:42:07 36.250361 0.008756 LBFGSLineSearch: 8 01:42:11 36.250347 0.009097 LBFGSLineSearch: 9 01:42:13 36.250334 0.011825 LBFGSLineSearch: 10 01:42:15 36.250324 0.009099 LBFGSLineSearch: 11 01:42:17 36.250319 0.005120 LBFGSLineSearch: 12 01:42:21 36.250317 0.003109 LBFGSLineSearch: 13 01:42:24 36.250316 0.003605 LBFGSLineSearch: 14 01:42:26 36.250312 0.005235 LBFGSLineSearch: 15 01:42:28 36.250307 0.007987 LBFGSLineSearch: 16 01:42:29 36.250301 0.003699 LBFGSLineSearch: 17 01:42:31 36.250300 0.001665 LBFGSLineSearch: 18 01:42:33 36.250300 0.001493 LBFGSLineSearch: 19 01:42:36 36.250299 0.000065 LBFGSLineSearch: 20 01:42:38 36.250299 0.000001 Minimization converged after 20 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:42:46 45.307086 0.905679 LBFGSLineSearch: 1 01:42:48 45.214990 0.230984 LBFGSLineSearch: 2 01:42:49 45.212764 0.069083 LBFGSLineSearch: 3 01:42:52 45.212543 0.033888 LBFGSLineSearch: 4 01:42:55 45.212360 0.040452 LBFGSLineSearch: 5 01:42:57 45.212265 0.011004 LBFGSLineSearch: 6 01:43:01 45.212250 0.008734 LBFGSLineSearch: 7 01:43:04 45.212238 0.011831 LBFGSLineSearch: 8 01:43:09 45.212224 0.012647 LBFGSLineSearch: 9 01:43:11 45.212209 0.012915 LBFGSLineSearch: 10 01:43:14 45.212197 0.009237 LBFGSLineSearch: 11 01:43:15 45.212192 0.005659 LBFGSLineSearch: 12 01:43:15 45.212189 0.003320 LBFGSLineSearch: 13 01:43:17 45.212187 0.005432 LBFGSLineSearch: 14 01:43:18 45.212182 0.004863 LBFGSLineSearch: 15 01:43:19 45.212176 0.005283 LBFGSLineSearch: 16 01:43:21 45.212169 0.002254 LBFGSLineSearch: 17 01:43:23 45.212168 0.001431 LBFGSLineSearch: 18 01:43:27 45.212168 0.000382 LBFGSLineSearch: 19 01:43:31 45.212167 0.000006 Minimization converged after 19 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:43:40 55.168394 0.995621 LBFGSLineSearch: 1 01:43:42 55.062844 0.258821 LBFGSLineSearch: 2 01:43:46 55.060617 0.066441 LBFGSLineSearch: 3 01:43:51 55.060417 0.034067 LBFGSLineSearch: 4 01:43:54 55.060246 0.027961 LBFGSLineSearch: 5 01:43:55 55.060156 0.017007 LBFGSLineSearch: 6 01:43:56 55.060131 0.010959 LBFGSLineSearch: 7 01:43:57 55.060123 0.010367 LBFGSLineSearch: 8 01:43:58 55.060112 0.010927 LBFGSLineSearch: 9 01:44:01 55.060092 0.010275 LBFGSLineSearch: 10 01:44:03 55.060070 0.008805 LBFGSLineSearch: 11 01:44:07 55.060059 0.008249 LBFGSLineSearch: 12 01:44:10 55.060054 0.004838 LBFGSLineSearch: 13 01:44:15 55.060050 0.003932 LBFGSLineSearch: 14 01:44:17 55.060049 0.003458 LBFGSLineSearch: 15 01:44:18 55.060039 0.010987 LBFGSLineSearch: 16 01:44:20 55.060032 0.007135 LBFGSLineSearch: 17 01:44:22 55.060026 0.003556 LBFGSLineSearch: 18 01:44:27 55.060025 0.001495 LBFGSLineSearch: 19 01:44:30 55.060025 0.001155 LBFGSLineSearch: 20 01:44:31 55.060025 0.001001 LBFGSLineSearch: 21 01:44:31 55.060025 0.001308 LBFGSLineSearch: 22 01:44:33 55.060025 0.000502 LBFGSLineSearch: 23 01:44:33 55.060025 0.000070 LBFGSLineSearch: 24 01:44:33 55.060025 0.000013 LBFGSLineSearch: 25 01:44:34 55.060025 0.000000 Minimization converged after 25 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:44:43 65.996221 1.093620 LBFGSLineSearch: 1 01:44:45 65.875769 0.274691 LBFGSLineSearch: 2 01:44:45 65.873389 0.062719 LBFGSLineSearch: 3 01:44:46 65.873132 0.054191 LBFGSLineSearch: 4 01:44:47 65.872939 0.019963 LBFGSLineSearch: 5 01:44:48 65.872914 0.011951 LBFGSLineSearch: 6 01:44:52 65.872901 0.010864 LBFGSLineSearch: 7 01:44:53 65.872884 0.009825 LBFGSLineSearch: 8 01:44:54 65.872859 0.012699 LBFGSLineSearch: 9 01:44:55 65.872834 0.012012 LBFGSLineSearch: 10 01:44:55 65.872826 0.007116 LBFGSLineSearch: 11 01:44:56 65.872821 0.004502 LBFGSLineSearch: 12 01:44:57 65.872819 0.004350 LBFGSLineSearch: 13 01:44:57 65.872806 0.007391 LBFGSLineSearch: 14 01:44:57 65.872792 0.005113 LBFGSLineSearch: 15 01:44:57 65.872790 0.001623 LBFGSLineSearch: 16 01:44:58 65.872789 0.001053 LBFGSLineSearch: 17 01:44:58 65.872789 0.000979 LBFGSLineSearch: 18 01:44:58 65.872789 0.001041 LBFGSLineSearch: 19 01:44:58 65.872789 0.000281 LBFGSLineSearch: 20 01:44:59 65.872789 0.000038 LBFGSLineSearch: 21 01:44:59 65.872789 0.000001 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:09 77.875810 1.200303 LBFGSLineSearch: 1 01:45:11 77.738689 0.291002 LBFGSLineSearch: 2 01:45:11 77.736173 0.057466 LBFGSLineSearch: 3 01:45:12 77.735907 0.057722 LBFGSLineSearch: 4 01:45:13 77.735754 0.033288 LBFGSLineSearch: 5 01:45:13 77.735690 0.012550 LBFGSLineSearch: 6 01:45:14 77.735675 0.011346 LBFGSLineSearch: 7 01:45:15 77.735655 0.014878 LBFGSLineSearch: 8 01:45:16 77.735625 0.014237 LBFGSLineSearch: 9 01:45:17 77.735598 0.009965 LBFGSLineSearch: 10 01:45:18 77.735590 0.006551 LBFGSLineSearch: 11 01:45:19 77.735584 0.004906 LBFGSLineSearch: 12 01:45:20 77.735581 0.005212 LBFGSLineSearch: 13 01:45:20 77.735563 0.011072 LBFGSLineSearch: 14 01:45:21 77.735550 0.005771 LBFGSLineSearch: 15 01:45:22 77.735548 0.001326 LBFGSLineSearch: 16 01:45:22 77.735548 0.000783 LBFGSLineSearch: 17 01:45:23 77.735548 0.000825 LBFGSLineSearch: 18 01:45:24 77.735547 0.000238 LBFGSLineSearch: 19 01:45:25 77.735547 0.000000 Minimization converged after 19 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:45:36 90.899003 1.316346 LBFGSLineSearch: 1 01:45:37 90.743280 0.308372 LBFGSLineSearch: 2 01:45:37 90.740644 0.054153 LBFGSLineSearch: 3 01:45:39 90.740426 0.037848 LBFGSLineSearch: 4 01:45:40 90.740212 0.036502 LBFGSLineSearch: 5 01:45:40 90.740138 0.018594 LBFGSLineSearch: 6 01:45:41 90.740123 0.013415 LBFGSLineSearch: 7 01:45:42 90.740110 0.016727 LBFGSLineSearch: 8 01:45:43 90.740075 0.009707 LBFGSLineSearch: 9 01:45:44 90.740050 0.018976 LBFGSLineSearch: 10 01:45:44 90.740024 0.008786 LBFGSLineSearch: 11 01:45:44 90.740016 0.006353 LBFGSLineSearch: 12 01:45:45 90.740010 0.006311 LBFGSLineSearch: 13 01:45:46 90.740005 0.005821 LBFGSLineSearch: 14 01:45:47 90.739986 0.011600 LBFGSLineSearch: 15 01:45:48 90.739969 0.005414 LBFGSLineSearch: 16 01:45:48 90.739967 0.001340 LBFGSLineSearch: 17 01:45:49 90.739967 0.000620 LBFGSLineSearch: 18 01:45:51 90.739967 0.000561 LBFGSLineSearch: 19 01:45:52 90.739967 0.000677 LBFGSLineSearch: 20 01:45:53 90.739967 0.000019 LBFGSLineSearch: 21 01:45:55 90.739967 0.000000 Minimization converged after 21 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:03 105.164668 1.442470 LBFGSLineSearch: 1 01:46:04 104.988224 0.326926 LBFGSLineSearch: 2 01:46:04 104.985498 0.075073 LBFGSLineSearch: 3 01:46:05 104.985217 0.039103 LBFGSLineSearch: 4 01:46:06 104.985031 0.036293 LBFGSLineSearch: 5 01:46:07 104.984928 0.019003 LBFGSLineSearch: 6 01:46:07 104.984911 0.014554 LBFGSLineSearch: 7 01:46:08 104.984897 0.015672 LBFGSLineSearch: 8 01:46:09 104.984853 0.014117 LBFGSLineSearch: 9 01:46:12 104.984828 0.012242 LBFGSLineSearch: 10 01:46:13 104.984807 0.010998 LBFGSLineSearch: 11 01:46:13 104.984793 0.009711 LBFGSLineSearch: 12 01:46:14 104.984786 0.006396 LBFGSLineSearch: 13 01:46:15 104.984781 0.007381 LBFGSLineSearch: 14 01:46:18 104.984772 0.006419 LBFGSLineSearch: 15 01:46:18 104.984759 0.007170 LBFGSLineSearch: 16 01:46:19 104.984739 0.010625 LBFGSLineSearch: 17 01:46:19 104.984731 0.005037 LBFGSLineSearch: 18 01:46:19 104.984729 0.000501 LBFGSLineSearch: 19 01:46:19 104.984729 0.000402 LBFGSLineSearch: 20 01:46:20 104.984729 0.000346 LBFGSLineSearch: 21 01:46:21 104.984729 0.000545 LBFGSLineSearch: 22 01:46:21 104.984729 0.000063 LBFGSLineSearch: 23 01:46:21 104.984729 0.000006 Minimization converged after 23 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:29 120.779161 1.579444 LBFGSLineSearch: 1 01:46:30 120.579675 0.346770 LBFGSLineSearch: 2 01:46:30 120.576901 0.108683 LBFGSLineSearch: 3 01:46:31 120.576506 0.042895 LBFGSLineSearch: 4 01:46:31 120.576341 0.035198 LBFGSLineSearch: 5 01:46:31 120.576217 0.021548 LBFGSLineSearch: 6 01:46:32 120.576197 0.015700 LBFGSLineSearch: 7 01:46:32 120.576181 0.016002 LBFGSLineSearch: 8 01:46:33 120.576122 0.012912 LBFGSLineSearch: 9 01:46:33 120.576089 0.011774 LBFGSLineSearch: 10 01:46:34 120.576065 0.014362 LBFGSLineSearch: 11 01:46:35 120.576051 0.007319 LBFGSLineSearch: 12 01:46:35 120.576040 0.008194 LBFGSLineSearch: 13 01:46:36 120.576032 0.011520 LBFGSLineSearch: 14 01:46:36 120.576007 0.010784 LBFGSLineSearch: 15 01:46:36 120.575990 0.009183 LBFGSLineSearch: 16 01:46:37 120.575986 0.002661 LBFGSLineSearch: 17 01:46:37 120.575986 0.000295 LBFGSLineSearch: 18 01:46:37 120.575986 0.000282 LBFGSLineSearch: 19 01:46:37 120.575986 0.000256 LBFGSLineSearch: 20 01:46:38 120.575986 0.000212 LBFGSLineSearch: 21 01:46:38 120.575986 0.000252 LBFGSLineSearch: 22 01:46:38 120.575986 0.000039 LBFGSLineSearch: 23 01:46:39 120.575986 0.000001 Minimization converged after 23 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:46:47 137.856799 1.728081 LBFGSLineSearch: 1 01:46:48 137.631734 0.368093 LBFGSLineSearch: 2 01:46:48 137.628972 0.148892 LBFGSLineSearch: 3 01:46:48 137.628394 0.047980 LBFGSLineSearch: 4 01:46:48 137.628239 0.034528 LBFGSLineSearch: 5 01:46:49 137.628105 0.023212 LBFGSLineSearch: 6 01:46:49 137.628082 0.017042 LBFGSLineSearch: 7 01:46:49 137.628063 0.016865 LBFGSLineSearch: 8 01:46:49 137.627981 0.020716 LBFGSLineSearch: 9 01:46:50 137.627941 0.012602 LBFGSLineSearch: 10 01:46:50 137.627920 0.014193 LBFGSLineSearch: 11 01:46:51 137.627907 0.008840 LBFGSLineSearch: 12 01:46:51 137.627891 0.009207 LBFGSLineSearch: 13 01:46:52 137.627880 0.014030 LBFGSLineSearch: 14 01:46:52 137.627845 0.006990 LBFGSLineSearch: 15 01:46:52 137.627833 0.002698 LBFGSLineSearch: 16 01:46:53 137.627833 0.000606 LBFGSLineSearch: 17 01:46:53 137.627833 0.000148 LBFGSLineSearch: 18 01:46:53 137.627833 0.000130 LBFGSLineSearch: 19 01:46:54 137.627833 0.000124 LBFGSLineSearch: 20 01:46:54 137.627833 0.000034 LBFGSLineSearch: 21 01:46:54 137.627833 0.000004 Minimization converged after 21 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:01 156.520360 1.889253 LBFGSLineSearch: 1 01:47:02 156.266943 0.391000 LBFGSLineSearch: 2 01:47:02 156.264275 0.196562 LBFGSLineSearch: 3 01:47:02 156.263421 0.054230 LBFGSLineSearch: 4 01:47:02 156.263270 0.035534 LBFGSLineSearch: 5 01:47:03 156.263134 0.021280 LBFGSLineSearch: 6 01:47:03 156.263103 0.018694 LBFGSLineSearch: 7 01:47:03 156.263080 0.022156 LBFGSLineSearch: 8 01:47:03 156.262958 0.019391 LBFGSLineSearch: 9 01:47:04 156.262919 0.011442 LBFGSLineSearch: 10 01:47:04 156.262903 0.011500 LBFGSLineSearch: 11 01:47:04 156.262889 0.010424 LBFGSLineSearch: 12 01:47:04 156.262865 0.009892 LBFGSLineSearch: 13 01:47:04 156.262850 0.012520 LBFGSLineSearch: 14 01:47:05 156.262828 0.016561 LBFGSLineSearch: 15 01:47:05 156.262807 0.001061 LBFGSLineSearch: 16 01:47:05 156.262807 0.000471 LBFGSLineSearch: 17 01:47:05 156.262807 0.000060 LBFGSLineSearch: 18 01:47:06 156.262807 0.000009 Minimization converged after 18 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:13 176.901597 2.063882 LBFGSLineSearch: 1 01:47:13 176.616800 0.415657 LBFGSLineSearch: 2 01:47:14 176.613353 0.077021 LBFGSLineSearch: 3 01:47:15 176.613084 0.061960 LBFGSLineSearch: 4 01:47:18 176.612840 0.037221 LBFGSLineSearch: 5 01:47:19 176.612773 0.022585 LBFGSLineSearch: 6 01:47:19 176.612757 0.019771 LBFGSLineSearch: 7 01:47:19 176.612704 0.040856 LBFGSLineSearch: 8 01:47:21 176.612532 0.012401 LBFGSLineSearch: 9 01:47:22 176.612517 0.013507 LBFGSLineSearch: 10 01:47:22 176.612502 0.012180 LBFGSLineSearch: 11 01:47:22 176.612471 0.012695 LBFGSLineSearch: 12 01:47:23 176.612440 0.017573 LBFGSLineSearch: 13 01:47:24 176.612408 0.009741 LBFGSLineSearch: 14 01:47:24 176.612402 0.002740 LBFGSLineSearch: 15 01:47:25 176.612401 0.000983 LBFGSLineSearch: 16 01:47:26 176.612401 0.000443 LBFGSLineSearch: 17 01:47:26 176.612401 0.000130 LBFGSLineSearch: 18 01:47:27 176.612401 0.000113 LBFGSLineSearch: 19 01:47:28 176.612401 0.000039 LBFGSLineSearch: 20 01:47:29 176.612401 0.000004 Minimization converged after 20 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:38 199.141779 2.252939 LBFGSLineSearch: 1 01:47:38 198.822300 0.442230 LBFGSLineSearch: 2 01:47:38 198.818652 0.079863 LBFGSLineSearch: 3 01:47:39 198.818373 0.071118 LBFGSLineSearch: 4 01:47:39 198.818121 0.038898 LBFGSLineSearch: 5 01:47:39 198.818054 0.025504 LBFGSLineSearch: 6 01:47:39 198.818033 0.021944 LBFGSLineSearch: 7 01:47:40 198.817968 0.045704 LBFGSLineSearch: 8 01:47:40 198.817752 0.016549 LBFGSLineSearch: 9 01:47:40 198.817738 0.014477 LBFGSLineSearch: 10 01:47:41 198.817701 0.017185 LBFGSLineSearch: 11 01:47:41 198.817640 0.025968 LBFGSLineSearch: 12 01:47:43 198.817607 0.008989 LBFGSLineSearch: 13 01:47:43 198.817601 0.002998 LBFGSLineSearch: 14 01:47:46 198.817600 0.000626 LBFGSLineSearch: 15 01:47:46 198.817600 0.000332 LBFGSLineSearch: 16 01:47:46 198.817600 0.000315 LBFGSLineSearch: 17 01:47:47 198.817600 0.000374 LBFGSLineSearch: 18 01:47:47 198.817600 0.000190 LBFGSLineSearch: 19 01:47:47 198.817600 0.000013 LBFGSLineSearch: 20 01:47:47 198.817600 0.000000 Minimization converged after 20 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:47:57 223.392239 2.457464 LBFGSLineSearch: 1 01:47:57 223.034475 0.470910 LBFGSLineSearch: 2 01:47:58 223.030607 0.084692 LBFGSLineSearch: 3 01:47:58 223.030319 0.082004 LBFGSLineSearch: 4 01:47:59 223.030055 0.041589 LBFGSLineSearch: 5 01:47:59 223.029987 0.029104 LBFGSLineSearch: 6 01:47:59 223.029958 0.024695 LBFGSLineSearch: 7 01:48:00 223.029883 0.049338 LBFGSLineSearch: 8 01:48:01 223.029636 0.033811 LBFGSLineSearch: 9 01:48:01 223.029595 0.018147 LBFGSLineSearch: 10 01:48:01 223.029572 0.016858 LBFGSLineSearch: 11 01:48:01 223.029524 0.025785 LBFGSLineSearch: 12 01:48:02 223.029440 0.013281 LBFGSLineSearch: 13 01:48:03 223.029430 0.007334 LBFGSLineSearch: 14 01:48:04 223.029425 0.000643 LBFGSLineSearch: 15 01:48:04 223.029425 0.000583 LBFGSLineSearch: 16 01:48:05 223.029425 0.000543 LBFGSLineSearch: 17 01:48:06 223.029425 0.000433 LBFGSLineSearch: 18 01:48:07 223.029425 0.000080 LBFGSLineSearch: 19 01:48:07 223.029425 0.000001 Minimization converged after 19 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:15 249.814932 2.678551 LBFGSLineSearch: 1 01:48:15 249.414962 0.501863 LBFGSLineSearch: 2 01:48:16 249.410851 0.094723 LBFGSLineSearch: 3 01:48:16 249.410555 0.094837 LBFGSLineSearch: 4 01:48:16 249.410270 0.045797 LBFGSLineSearch: 5 01:48:16 249.410202 0.033475 LBFGSLineSearch: 6 01:48:16 249.410163 0.028162 LBFGSLineSearch: 7 01:48:17 249.410077 0.050076 LBFGSLineSearch: 8 01:48:17 249.409813 0.056827 LBFGSLineSearch: 9 01:48:17 249.409714 0.020708 LBFGSLineSearch: 10 01:48:18 249.409687 0.018924 LBFGSLineSearch: 11 01:48:19 249.409653 0.022922 LBFGSLineSearch: 12 01:48:19 249.409568 0.024660 LBFGSLineSearch: 13 01:48:20 249.409524 0.022686 LBFGSLineSearch: 14 01:48:21 249.409492 0.003009 LBFGSLineSearch: 15 01:48:22 249.409492 0.001061 LBFGSLineSearch: 16 01:48:23 249.409492 0.000915 LBFGSLineSearch: 17 01:48:24 249.409492 0.000981 LBFGSLineSearch: 18 01:48:25 249.409492 0.000180 LBFGSLineSearch: 19 01:48:26 249.409492 0.000037 LBFGSLineSearch: 20 01:48:27 249.409492 0.000001 Minimization converged after 20 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:35 278.582999 2.917351 LBFGSLineSearch: 1 01:48:37 278.136552 0.535246 LBFGSLineSearch: 2 01:48:38 278.132172 0.106617 LBFGSLineSearch: 3 01:48:39 278.131866 0.109835 LBFGSLineSearch: 4 01:48:39 278.131552 0.052267 LBFGSLineSearch: 5 01:48:39 278.131483 0.040782 LBFGSLineSearch: 6 01:48:40 278.131428 0.032520 LBFGSLineSearch: 7 01:48:40 278.131330 0.051536 LBFGSLineSearch: 8 01:48:41 278.131049 0.077251 LBFGSLineSearch: 9 01:48:42 278.130875 0.021350 LBFGSLineSearch: 10 01:48:42 278.130830 0.023307 LBFGSLineSearch: 11 01:48:42 278.130796 0.021304 LBFGSLineSearch: 12 01:48:43 278.130725 0.028676 LBFGSLineSearch: 13 01:48:43 278.130645 0.033593 LBFGSLineSearch: 14 01:48:43 278.130581 0.031647 LBFGSLineSearch: 15 01:48:44 278.130562 0.013385 LBFGSLineSearch: 16 01:48:44 278.130559 0.001585 LBFGSLineSearch: 17 01:48:44 278.130558 0.001244 LBFGSLineSearch: 18 01:48:44 278.130558 0.001551 LBFGSLineSearch: 19 01:48:44 278.130558 0.000502 LBFGSLineSearch: 20 01:48:44 278.130558 0.000002 Minimization converged after 20 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:48:51 309.881289 3.175073 LBFGSLineSearch: 1 01:48:51 309.383723 0.571227 LBFGSLineSearch: 2 01:48:52 309.379038 0.120779 LBFGSLineSearch: 3 01:48:52 309.378719 0.127176 LBFGSLineSearch: 4 01:48:52 309.378364 0.061956 LBFGSLineSearch: 5 01:48:52 309.378273 0.047393 LBFGSLineSearch: 6 01:48:52 309.378212 0.038034 LBFGSLineSearch: 7 01:48:53 309.378042 0.056675 LBFGSLineSearch: 8 01:48:53 309.377723 0.068660 LBFGSLineSearch: 9 01:48:53 309.377491 0.029475 LBFGSLineSearch: 10 01:48:53 309.377419 0.028795 LBFGSLineSearch: 11 01:48:54 309.377368 0.022757 LBFGSLineSearch: 12 01:48:54 309.377275 0.035117 LBFGSLineSearch: 13 01:48:54 309.377180 0.036306 LBFGSLineSearch: 14 01:48:55 309.377060 0.034935 LBFGSLineSearch: 15 01:48:56 309.377036 0.011200 LBFGSLineSearch: 16 01:48:57 309.377033 0.002669 LBFGSLineSearch: 17 01:48:57 309.377032 0.002384 LBFGSLineSearch: 18 01:48:58 309.377031 0.002138 LBFGSLineSearch: 19 01:48:58 309.377031 0.000599 LBFGSLineSearch: 20 01:48:59 309.377031 0.000232 LBFGSLineSearch: 21 01:48:59 309.377031 0.000001 Minimization converged after 21 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:08 343.906796 3.452977 LBFGSLineSearch: 1 01:49:08 343.353063 0.609953 LBFGSLineSearch: 2 01:49:09 343.348031 0.138152 LBFGSLineSearch: 3 01:49:09 343.347684 0.147075 LBFGSLineSearch: 4 01:49:10 343.347272 0.076825 LBFGSLineSearch: 5 01:49:10 343.347164 0.056422 LBFGSLineSearch: 6 01:49:10 343.347075 0.045141 LBFGSLineSearch: 7 01:49:11 343.346836 0.066242 LBFGSLineSearch: 8 01:49:12 343.346458 0.088162 LBFGSLineSearch: 9 01:49:12 343.346108 0.031587 LBFGSLineSearch: 10 01:49:13 343.345968 0.034816 LBFGSLineSearch: 11 01:49:14 343.345890 0.029690 LBFGSLineSearch: 12 01:49:15 343.345769 0.041137 LBFGSLineSearch: 13 01:49:16 343.345640 0.040187 LBFGSLineSearch: 14 01:49:16 343.345411 0.048811 LBFGSLineSearch: 15 01:49:17 343.345363 0.018034 LBFGSLineSearch: 16 01:49:18 343.345354 0.004587 LBFGSLineSearch: 17 01:49:19 343.345351 0.006541 LBFGSLineSearch: 18 01:49:20 343.345349 0.002883 LBFGSLineSearch: 19 01:49:20 343.345349 0.000084 LBFGSLineSearch: 20 01:49:21 343.345349 0.000002 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:27 380.868820 3.752349 LBFGSLineSearch: 1 01:49:28 380.253441 0.651424 LBFGSLineSearch: 2 01:49:30 380.248002 0.160137 LBFGSLineSearch: 3 01:49:31 380.247595 0.169696 LBFGSLineSearch: 4 01:49:33 380.247110 0.100547 LBFGSLineSearch: 5 01:49:33 380.246968 0.068855 LBFGSLineSearch: 6 01:49:34 380.246827 0.054524 LBFGSLineSearch: 7 01:49:35 380.246467 0.077379 LBFGSLineSearch: 8 01:49:35 380.245954 0.117867 LBFGSLineSearch: 9 01:49:36 380.245432 0.049899 LBFGSLineSearch: 10 01:49:36 380.245168 0.043564 LBFGSLineSearch: 11 01:49:37 380.245039 0.044888 LBFGSLineSearch: 12 01:49:37 380.244823 0.049220 LBFGSLineSearch: 13 01:49:38 380.244591 0.048866 LBFGSLineSearch: 14 01:49:38 380.244122 0.071269 LBFGSLineSearch: 15 01:49:40 380.244009 0.028238 LBFGSLineSearch: 16 01:49:40 380.243986 0.008388 LBFGSLineSearch: 17 01:49:41 380.243975 0.011748 LBFGSLineSearch: 18 01:49:42 380.243969 0.005552 LBFGSLineSearch: 19 01:49:43 380.243967 0.000053 LBFGSLineSearch: 20 01:49:43 380.243967 0.000003 Minimization converged after 20 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:49:50 420.988200 4.074425 LBFGSLineSearch: 1 01:49:51 420.305226 0.695201 LBFGSLineSearch: 2 01:49:52 420.299296 0.189484 LBFGSLineSearch: 3 01:49:52 420.298748 0.194632 LBFGSLineSearch: 4 01:49:53 420.298179 0.141331 LBFGSLineSearch: 5 01:49:53 420.297953 0.087364 LBFGSLineSearch: 6 01:49:53 420.297706 0.067392 LBFGSLineSearch: 7 01:49:54 420.297133 0.114890 LBFGSLineSearch: 8 01:49:54 420.296335 0.116487 LBFGSLineSearch: 9 01:49:55 420.295373 0.072303 LBFGSLineSearch: 10 01:49:55 420.294959 0.057362 LBFGSLineSearch: 11 01:49:56 420.294740 0.061378 LBFGSLineSearch: 12 01:49:57 420.294351 0.065594 LBFGSLineSearch: 13 01:49:58 420.293547 0.090586 LBFGSLineSearch: 14 01:49:59 420.292829 0.122706 LBFGSLineSearch: 15 01:50:00 420.291466 0.049423 LBFGSLineSearch: 16 01:50:01 420.291375 0.023471 LBFGSLineSearch: 17 01:50:01 420.291346 0.020818 LBFGSLineSearch: 18 01:50:01 420.291219 0.014468 LBFGSLineSearch: 19 01:50:02 420.291216 0.001131 LBFGSLineSearch: 20 01:50:02 420.291216 0.000094 LBFGSLineSearch: 21 01:50:03 420.291216 0.000067 LBFGSLineSearch: 22 01:50:03 420.291216 0.000014 LBFGSLineSearch: 23 01:50:03 420.291216 0.000000 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:10 464.488488 4.419727 LBFGSLineSearch: 1 01:50:10 463.881882 2.029974 LBFGSLineSearch: 2 01:50:11 463.745593 1.299822 LBFGSLineSearch: 3 01:50:12 463.725845 0.301936 LBFGSLineSearch: 4 01:50:12 463.723796 0.215868 LBFGSLineSearch: 5 01:50:13 463.722938 0.118322 LBFGSLineSearch: 6 01:50:14 463.722692 0.136133 LBFGSLineSearch: 7 01:50:15 463.721041 0.171202 LBFGSLineSearch: 8 01:50:16 463.719885 0.165741 LBFGSLineSearch: 9 01:50:16 463.716594 0.172729 LBFGSLineSearch: 10 01:50:17 463.715531 0.123634 LBFGSLineSearch: 11 01:50:18 463.714386 0.186322 LBFGSLineSearch: 12 01:50:18 463.709412 0.278330 LBFGSLineSearch: 13 01:50:19 462.149684 11.306717 LBFGSLineSearch: 14 01:50:19 462.148883 11.467429 LBFGSLineSearch: 15 01:50:20 459.702041 6.648272 LBFGSLineSearch: 16 01:50:20 458.114870 4.170273 LBFGSLineSearch: 17 01:50:20 457.732648 2.186125 LBFGSLineSearch: 18 01:50:20 457.168374 3.739181 LBFGSLineSearch: 19 01:50:20 457.030338 1.230268 LBFGSLineSearch: 20 01:50:20 457.005383 0.470164 LBFGSLineSearch: 21 01:50:20 456.995593 0.492762 LBFGSLineSearch: 22 01:50:21 456.986773 0.408690 LBFGSLineSearch: 23 01:50:21 456.975555 0.361925 LBFGSLineSearch: 24 01:50:21 456.968161 0.339907 LBFGSLineSearch: 25 01:50:22 456.960616 0.603085 LBFGSLineSearch: 26 01:50:22 456.951936 0.265619 LBFGSLineSearch: 27 01:50:22 456.945763 0.154075 LBFGSLineSearch: 28 01:50:22 456.944833 0.134149 LBFGSLineSearch: 29 01:50:22 456.944181 0.072902 LBFGSLineSearch: 30 01:50:22 456.943886 0.033311 LBFGSLineSearch: 31 01:50:22 456.943842 0.017153 LBFGSLineSearch: 32 01:50:23 456.943835 0.006687 LBFGSLineSearch: 33 01:50:23 456.943834 0.002862 LBFGSLineSearch: 34 01:50:23 456.943833 0.000625 LBFGSLineSearch: 35 01:50:23 456.943833 0.000058 LBFGSLineSearch: 36 01:50:23 456.943833 0.000006 Minimization converged after 36 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:30 503.871433 4.692760 LBFGSLineSearch: 1 01:50:30 503.199207 2.007783 LBFGSLineSearch: 2 01:50:31 503.053869 0.232126 LBFGSLineSearch: 3 01:50:32 503.052701 0.065104 LBFGSLineSearch: 4 01:50:32 503.052574 0.052596 LBFGSLineSearch: 5 01:50:32 503.052450 0.081934 LBFGSLineSearch: 6 01:50:34 503.052178 0.078246 LBFGSLineSearch: 7 01:50:35 503.051955 0.064328 LBFGSLineSearch: 8 01:50:35 503.051798 0.032095 LBFGSLineSearch: 9 01:50:36 503.051773 0.015681 LBFGSLineSearch: 10 01:50:36 503.051766 0.014391 LBFGSLineSearch: 11 01:50:37 503.051753 0.020915 LBFGSLineSearch: 12 01:50:37 503.051739 0.016021 LBFGSLineSearch: 13 01:50:38 503.051724 0.005955 LBFGSLineSearch: 14 01:50:38 503.051721 0.005858 LBFGSLineSearch: 15 01:50:38 503.051718 0.006246 LBFGSLineSearch: 16 01:50:38 503.051712 0.002382 LBFGSLineSearch: 17 01:50:38 503.051712 0.000956 LBFGSLineSearch: 18 01:50:39 503.051711 0.000135 LBFGSLineSearch: 19 01:50:39 503.051711 0.000013 LBFGSLineSearch: 20 01:50:39 503.051711 0.000000 Minimization converged after 20 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:50:45 553.925137 5.087343 LBFGSLineSearch: 1 01:50:46 553.155485 1.991316 LBFGSLineSearch: 2 01:50:46 553.021968 0.287425 LBFGSLineSearch: 3 01:50:47 553.020279 0.086453 LBFGSLineSearch: 4 01:50:47 553.020112 0.061244 LBFGSLineSearch: 5 01:50:47 553.019985 0.087225 LBFGSLineSearch: 6 01:50:49 553.019716 0.088046 LBFGSLineSearch: 7 01:50:50 553.019477 0.074056 LBFGSLineSearch: 8 01:50:51 553.019224 0.036787 LBFGSLineSearch: 9 01:50:51 553.019191 0.018671 LBFGSLineSearch: 10 01:50:52 553.019181 0.017425 LBFGSLineSearch: 11 01:50:52 553.019170 0.011301 LBFGSLineSearch: 12 01:50:53 553.019156 0.012131 LBFGSLineSearch: 13 01:50:54 553.019133 0.020276 LBFGSLineSearch: 14 01:50:55 553.019126 0.007043 LBFGSLineSearch: 15 01:50:55 553.019124 0.006123 LBFGSLineSearch: 16 01:50:56 553.019120 0.011692 LBFGSLineSearch: 17 01:50:57 553.019114 0.002213 LBFGSLineSearch: 18 01:50:57 553.019114 0.000890 LBFGSLineSearch: 19 01:50:57 553.019114 0.000009 Minimization converged after 19 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:02 608.132311 5.511323 LBFGSLineSearch: 1 01:51:02 607.254341 1.944897 LBFGSLineSearch: 2 01:51:03 607.135794 0.378974 LBFGSLineSearch: 3 01:51:03 607.133364 0.115657 LBFGSLineSearch: 4 01:51:03 607.133124 0.078518 LBFGSLineSearch: 5 01:51:04 607.132957 0.077335 LBFGSLineSearch: 6 01:51:05 607.132747 0.095436 LBFGSLineSearch: 7 01:51:05 607.132398 0.089572 LBFGSLineSearch: 8 01:51:06 607.132109 0.062015 LBFGSLineSearch: 9 01:51:06 607.132052 0.028815 LBFGSLineSearch: 10 01:51:07 607.132032 0.018515 LBFGSLineSearch: 11 01:51:07 607.132023 0.014926 LBFGSLineSearch: 12 01:51:07 607.131996 0.022762 LBFGSLineSearch: 13 01:51:08 607.131971 0.008657 LBFGSLineSearch: 14 01:51:08 607.131965 0.007838 LBFGSLineSearch: 15 01:51:09 607.131959 0.010526 LBFGSLineSearch: 16 01:51:10 607.131954 0.004225 LBFGSLineSearch: 17 01:51:10 607.131954 0.000452 LBFGSLineSearch: 18 01:51:11 607.131954 0.000003 Minimization converged after 18 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:17 666.797274 5.966532 LBFGSLineSearch: 1 01:51:17 665.799656 1.862508 LBFGSLineSearch: 2 01:51:17 665.699115 0.496963 LBFGSLineSearch: 3 01:51:18 665.695655 0.154143 LBFGSLineSearch: 4 01:51:18 665.695286 0.101681 LBFGSLineSearch: 5 01:51:18 665.695067 0.076084 LBFGSLineSearch: 6 01:51:18 665.694847 0.105062 LBFGSLineSearch: 7 01:51:19 665.694527 0.108430 LBFGSLineSearch: 8 01:51:19 665.694073 0.049421 LBFGSLineSearch: 9 01:51:19 665.694013 0.031346 LBFGSLineSearch: 10 01:51:20 665.693990 0.024966 LBFGSLineSearch: 11 01:51:20 665.693978 0.020369 LBFGSLineSearch: 12 01:51:20 665.693961 0.012740 LBFGSLineSearch: 13 01:51:20 665.693920 0.021087 LBFGSLineSearch: 14 01:51:20 665.693909 0.007642 LBFGSLineSearch: 15 01:51:20 665.693904 0.008098 LBFGSLineSearch: 16 01:51:21 665.693899 0.010388 LBFGSLineSearch: 17 01:51:21 665.693892 0.002289 LBFGSLineSearch: 18 01:51:21 665.693892 0.000644 LBFGSLineSearch: 19 01:51:21 665.693892 0.000268 LBFGSLineSearch: 20 01:51:22 665.693892 0.000002 Minimization converged after 20 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:28 730.242917 6.454904 LBFGSLineSearch: 1 01:51:29 729.114101 1.737300 LBFGSLineSearch: 2 01:51:30 729.034263 0.647997 LBFGSLineSearch: 3 01:51:32 729.029421 0.203987 LBFGSLineSearch: 4 01:51:33 729.028814 0.133698 LBFGSLineSearch: 5 01:51:34 729.028495 0.077261 LBFGSLineSearch: 6 01:51:34 729.028269 0.118017 LBFGSLineSearch: 7 01:51:35 729.027989 0.122177 LBFGSLineSearch: 8 01:51:35 729.027412 0.056085 LBFGSLineSearch: 9 01:51:35 729.027278 0.051653 LBFGSLineSearch: 10 01:51:35 729.027233 0.022377 LBFGSLineSearch: 11 01:51:35 729.027225 0.019880 LBFGSLineSearch: 12 01:51:36 729.027194 0.020530 LBFGSLineSearch: 13 01:51:36 729.027156 0.015207 LBFGSLineSearch: 14 01:51:37 729.027140 0.009878 LBFGSLineSearch: 15 01:51:37 729.027129 0.005584 LBFGSLineSearch: 16 01:51:38 729.027124 0.002545 LBFGSLineSearch: 17 01:51:38 729.027124 0.000446 LBFGSLineSearch: 18 01:51:39 729.027124 0.000014 LBFGSLineSearch: 19 01:51:39 729.027124 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:45 798.811504 6.978438 LBFGSLineSearch: 1 01:51:46 797.540024 1.561485 LBFGSLineSearch: 2 01:51:46 797.482955 0.839986 LBFGSLineSearch: 3 01:51:46 797.476348 0.268956 LBFGSLineSearch: 4 01:51:46 797.475290 0.177674 LBFGSLineSearch: 5 01:51:46 797.474772 0.102330 LBFGSLineSearch: 6 01:51:46 797.474569 0.136196 LBFGSLineSearch: 7 01:51:46 797.474286 0.131927 LBFGSLineSearch: 8 01:51:47 797.473761 0.071550 LBFGSLineSearch: 9 01:51:47 797.473457 0.109697 LBFGSLineSearch: 10 01:51:47 797.473314 0.032717 LBFGSLineSearch: 11 01:51:47 797.473296 0.024209 LBFGSLineSearch: 12 01:51:47 797.473278 0.019609 LBFGSLineSearch: 13 01:51:47 797.473244 0.024855 LBFGSLineSearch: 14 01:51:48 797.473204 0.013081 LBFGSLineSearch: 15 01:51:50 797.473197 0.009722 LBFGSLineSearch: 16 01:51:51 797.473187 0.007921 LBFGSLineSearch: 17 01:51:51 797.473182 0.000131 LBFGSLineSearch: 18 01:51:52 797.473182 0.000002 Minimization converged after 18 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:51:59 872.865494 7.539232 LBFGSLineSearch: 1 01:51:59 871.440371 1.326256 LBFGSLineSearch: 2 01:52:00 871.407122 1.082291 LBFGSLineSearch: 3 01:52:00 871.398415 0.358357 LBFGSLineSearch: 4 01:52:01 871.396464 0.233002 LBFGSLineSearch: 5 01:52:01 871.395577 0.133161 LBFGSLineSearch: 6 01:52:01 871.395253 0.111245 LBFGSLineSearch: 7 01:52:01 871.395036 0.131590 LBFGSLineSearch: 8 01:52:02 871.394152 0.122231 LBFGSLineSearch: 9 01:52:02 871.393919 0.051000 LBFGSLineSearch: 10 01:52:03 871.393865 0.023988 LBFGSLineSearch: 11 01:52:03 871.393856 0.022653 LBFGSLineSearch: 12 01:52:03 871.393814 0.018885 LBFGSLineSearch: 13 01:52:04 871.393768 0.010211 LBFGSLineSearch: 14 01:52:05 871.393761 0.013293 LBFGSLineSearch: 15 01:52:05 871.393746 0.008452 LBFGSLineSearch: 16 01:52:06 871.393746 0.000182 LBFGSLineSearch: 17 01:52:07 871.393746 0.000001 Minimization converged after 17 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:12 952.788349 8.139460 LBFGSLineSearch: 1 01:52:13 951.199631 1.021736 LBFGSLineSearch: 2 01:52:14 951.180853 0.656710 LBFGSLineSearch: 3 01:52:15 951.174663 0.362250 LBFGSLineSearch: 4 01:52:17 951.173704 0.137333 LBFGSLineSearch: 5 01:52:17 951.173368 0.107935 LBFGSLineSearch: 6 01:52:18 951.173042 0.154296 LBFGSLineSearch: 7 01:52:18 951.172131 0.133889 LBFGSLineSearch: 8 01:52:18 951.171743 0.128861 LBFGSLineSearch: 9 01:52:19 951.171610 0.043060 LBFGSLineSearch: 10 01:52:19 951.171550 0.031022 LBFGSLineSearch: 11 01:52:19 951.171536 0.021022 LBFGSLineSearch: 12 01:52:19 951.171517 0.016426 LBFGSLineSearch: 13 01:52:20 951.171463 0.008581 LBFGSLineSearch: 14 01:52:20 951.171457 0.009299 LBFGSLineSearch: 15 01:52:20 951.171450 0.008045 LBFGSLineSearch: 16 01:52:20 951.171440 0.002543 LBFGSLineSearch: 17 01:52:20 951.171440 0.000184 LBFGSLineSearch: 18 01:52:20 951.171440 0.000000 Minimization converged after 18 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:26 1038.985320 8.781388 LBFGSLineSearch: 1 01:52:26 1037.224777 0.637112 LBFGSLineSearch: 2 01:52:27 1037.217428 0.439762 LBFGSLineSearch: 3 01:52:27 1037.214113 0.325467 LBFGSLineSearch: 4 01:52:28 1037.213133 0.161549 LBFGSLineSearch: 5 01:52:28 1037.212693 0.131176 LBFGSLineSearch: 6 01:52:28 1037.212401 0.200339 LBFGSLineSearch: 7 01:52:29 1037.211420 0.135316 LBFGSLineSearch: 8 01:52:30 1037.210836 0.081293 LBFGSLineSearch: 9 01:52:32 1037.210740 0.036567 LBFGSLineSearch: 10 01:52:33 1037.210691 0.019022 LBFGSLineSearch: 11 01:52:34 1037.210684 0.031521 LBFGSLineSearch: 12 01:52:35 1037.210658 0.021893 LBFGSLineSearch: 13 01:52:37 1037.210637 0.012259 LBFGSLineSearch: 14 01:52:38 1037.210626 0.006930 LBFGSLineSearch: 15 01:52:39 1037.210621 0.007685 LBFGSLineSearch: 16 01:52:39 1037.210612 0.001567 LBFGSLineSearch: 17 01:52:39 1037.210612 0.000227 LBFGSLineSearch: 18 01:52:40 1037.210612 0.000001 Minimization converged after 18 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:52:46 1131.884170 9.467356 LBFGSLineSearch: 1 01:52:47 1129.946175 0.574319 LBFGSLineSearch: 2 01:52:48 1129.942325 0.379339 LBFGSLineSearch: 3 01:52:49 1129.941264 0.172411 LBFGSLineSearch: 4 01:52:50 1129.940798 0.159625 LBFGSLineSearch: 5 01:52:50 1129.940217 0.150917 LBFGSLineSearch: 6 01:52:52 1129.939707 0.170825 LBFGSLineSearch: 7 01:52:54 1129.938717 0.180463 LBFGSLineSearch: 8 01:52:56 1129.938254 0.083861 LBFGSLineSearch: 9 01:52:57 1129.938147 0.029736 LBFGSLineSearch: 10 01:52:58 1129.938109 0.032828 LBFGSLineSearch: 11 01:52:59 1129.938099 0.020584 LBFGSLineSearch: 12 01:52:59 1129.938083 0.013416 LBFGSLineSearch: 13 01:53:00 1129.938061 0.015149 LBFGSLineSearch: 14 01:53:01 1129.938055 0.005712 LBFGSLineSearch: 15 01:53:01 1129.938052 0.005038 LBFGSLineSearch: 16 01:53:02 1129.938050 0.009081 LBFGSLineSearch: 17 01:53:02 1129.938046 0.000303 LBFGSLineSearch: 18 01:53:03 1129.938046 0.000003 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:09 1231.935820 10.199778 LBFGSLineSearch: 1 01:53:10 1229.818464 0.684105 LBFGSLineSearch: 2 01:53:11 1229.811435 0.471487 LBFGSLineSearch: 3 01:53:11 1229.808155 0.361854 LBFGSLineSearch: 4 01:53:12 1229.806798 0.214597 LBFGSLineSearch: 5 01:53:13 1229.806111 0.187194 LBFGSLineSearch: 6 01:53:14 1229.805770 0.193557 LBFGSLineSearch: 7 01:53:14 1229.804745 0.132125 LBFGSLineSearch: 8 01:53:15 1229.803927 0.111468 LBFGSLineSearch: 9 01:53:15 1229.803715 0.044371 LBFGSLineSearch: 10 01:53:15 1229.803668 0.040010 LBFGSLineSearch: 11 01:53:15 1229.803652 0.018926 LBFGSLineSearch: 12 01:53:16 1229.803635 0.014704 LBFGSLineSearch: 13 01:53:16 1229.803621 0.008381 LBFGSLineSearch: 14 01:53:16 1229.803615 0.003007 LBFGSLineSearch: 15 01:53:16 1229.803614 0.003107 LBFGSLineSearch: 16 01:53:17 1229.803613 0.000495 LBFGSLineSearch: 17 01:53:17 1229.803613 0.000035 LBFGSLineSearch: 18 01:53:17 1229.803613 0.000000 Minimization converged after 18 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:24 1339.614945 10.981133 LBFGSLineSearch: 1 01:53:24 1337.321410 1.376253 LBFGSLineSearch: 2 01:53:25 1337.300033 0.976985 LBFGSLineSearch: 3 01:53:25 1337.287925 0.711354 LBFGSLineSearch: 4 01:53:25 1337.284661 0.317664 LBFGSLineSearch: 5 01:53:26 1337.283700 0.186537 LBFGSLineSearch: 6 01:53:26 1337.283376 0.184420 LBFGSLineSearch: 7 01:53:26 1337.282379 0.141749 LBFGSLineSearch: 8 01:53:26 1337.281544 0.247503 LBFGSLineSearch: 9 01:53:27 1337.281085 0.119344 LBFGSLineSearch: 10 01:53:27 1337.280960 0.056840 LBFGSLineSearch: 11 01:53:28 1337.280918 0.023561 LBFGSLineSearch: 12 01:53:28 1337.280902 0.015930 LBFGSLineSearch: 13 01:53:28 1337.280882 0.012603 LBFGSLineSearch: 14 01:53:29 1337.280876 0.001050 LBFGSLineSearch: 15 01:53:29 1337.280876 0.000110 LBFGSLineSearch: 16 01:53:29 1337.280876 0.000115 LBFGSLineSearch: 17 01:53:30 1337.280876 0.000011 LBFGSLineSearch: 18 01:53:30 1337.280876 0.000000 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:36 1455.420526 11.813965 Failed to get energy or crystal structure at pressure 6501.994708861737 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:37 -47.847152 0.000285 LBFGSLineSearch: 1 01:53:37 -47.847152 0.000094 LBFGSLineSearch: 2 01:53:38 -47.847152 0.000085 LBFGSLineSearch: 3 01:53:38 -47.847152 0.000018 LBFGSLineSearch: 4 01:53:38 -47.847152 0.000005 Minimization converged after 4 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:53:45 -48.167108 0.032001 LBFGSLineSearch: 1 01:53:46 -48.167416 0.018182 LBFGSLineSearch: 2 01:53:46 -48.167486 0.008821 LBFGSLineSearch: 3 01:53:46 -48.167498 0.002904 LBFGSLineSearch: 4 01:53:46 -48.167500 0.002205 LBFGSLineSearch: 5 01:53:47 -48.167501 0.001596 LBFGSLineSearch: 6 01:53:47 -48.167502 0.001374 LBFGSLineSearch: 7 01:53:48 -48.167502 0.001218 LBFGSLineSearch: 8 01:53:48 -48.167502 0.001196 LBFGSLineSearch: 9 01:53:49 -48.167503 0.000944 LBFGSLineSearch: 10 01:53:49 -48.167503 0.000558 LBFGSLineSearch: 11 01:53:50 -48.167503 0.000340 LBFGSLineSearch: 12 01:53:51 -48.167503 0.000472 LBFGSLineSearch: 13 01:53:51 -48.167503 0.000213 LBFGSLineSearch: 14 01:53:52 -48.167503 0.000167 LBFGSLineSearch: 15 01:53:52 -48.167503 0.000201 LBFGSLineSearch: 16 01:53:53 -48.167503 0.000097 LBFGSLineSearch: 17 01:53:53 -48.167503 0.000108 LBFGSLineSearch: 18 01:53:53 -48.167503 0.000097 LBFGSLineSearch: 19 01:53:54 -48.167503 0.000027 LBFGSLineSearch: 20 01:53:54 -48.167503 0.000036 LBFGSLineSearch: 21 01:53:55 -48.167503 0.000002 Minimization converged after 21 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:02 -48.488253 0.032076 LBFGSLineSearch: 1 01:54:03 -48.488564 0.018400 LBFGSLineSearch: 2 01:54:03 -48.488637 0.009024 LBFGSLineSearch: 3 01:54:04 -48.488650 0.002985 LBFGSLineSearch: 4 01:54:04 -48.488652 0.002498 LBFGSLineSearch: 5 01:54:04 -48.488653 0.001617 LBFGSLineSearch: 6 01:54:04 -48.488654 0.001272 LBFGSLineSearch: 7 01:54:05 -48.488655 0.000916 LBFGSLineSearch: 8 01:54:05 -48.488655 0.000844 LBFGSLineSearch: 9 01:54:05 -48.488655 0.000571 LBFGSLineSearch: 10 01:54:05 -48.488656 0.000395 LBFGSLineSearch: 11 01:54:06 -48.488656 0.000228 LBFGSLineSearch: 12 01:54:06 -48.488656 0.000173 LBFGSLineSearch: 13 01:54:06 -48.488656 0.000148 LBFGSLineSearch: 14 01:54:06 -48.488656 0.000153 LBFGSLineSearch: 15 01:54:06 -48.488656 0.000228 LBFGSLineSearch: 16 01:54:06 -48.488656 0.000126 LBFGSLineSearch: 17 01:54:06 -48.488656 0.000104 LBFGSLineSearch: 18 01:54:07 -48.488656 0.000066 LBFGSLineSearch: 19 01:54:07 -48.488656 0.000053 LBFGSLineSearch: 20 01:54:07 -48.488656 0.000030 LBFGSLineSearch: 21 01:54:07 -48.488656 0.000002 Minimization converged after 21 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:13 -48.810213 0.032157 LBFGSLineSearch: 1 01:54:14 -48.810529 0.018624 LBFGSLineSearch: 2 01:54:15 -48.810605 0.009234 LBFGSLineSearch: 3 01:54:15 -48.810619 0.003072 LBFGSLineSearch: 4 01:54:16 -48.810620 0.002796 LBFGSLineSearch: 5 01:54:16 -48.810621 0.001647 LBFGSLineSearch: 6 01:54:16 -48.810623 0.001291 LBFGSLineSearch: 7 01:54:17 -48.810624 0.000955 LBFGSLineSearch: 8 01:54:17 -48.810624 0.000908 LBFGSLineSearch: 9 01:54:18 -48.810624 0.000770 LBFGSLineSearch: 10 01:54:18 -48.810624 0.000402 LBFGSLineSearch: 11 01:54:19 -48.810624 0.000209 LBFGSLineSearch: 12 01:54:19 -48.810624 0.000190 LBFGSLineSearch: 13 01:54:19 -48.810624 0.000146 LBFGSLineSearch: 14 01:54:19 -48.810624 0.000133 LBFGSLineSearch: 15 01:54:21 -48.810624 0.000134 LBFGSLineSearch: 16 01:54:22 -48.810624 0.000172 LBFGSLineSearch: 17 01:54:22 -48.810624 0.000041 LBFGSLineSearch: 18 01:54:23 -48.810624 0.000017 LBFGSLineSearch: 19 01:54:23 -48.810624 0.000003 Minimization converged after 19 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:30 -49.133007 0.032240 LBFGSLineSearch: 1 01:54:31 -49.133327 0.018855 LBFGSLineSearch: 2 01:54:31 -49.133405 0.009456 LBFGSLineSearch: 3 01:54:32 -49.133420 0.003163 LBFGSLineSearch: 4 01:54:32 -49.133422 0.003091 LBFGSLineSearch: 5 01:54:33 -49.133423 0.001685 LBFGSLineSearch: 6 01:54:34 -49.133424 0.001328 LBFGSLineSearch: 7 01:54:35 -49.133425 0.000993 LBFGSLineSearch: 8 01:54:35 -49.133426 0.000956 LBFGSLineSearch: 9 01:54:35 -49.133426 0.000732 LBFGSLineSearch: 10 01:54:35 -49.133426 0.000406 LBFGSLineSearch: 11 01:54:35 -49.133426 0.000194 LBFGSLineSearch: 12 01:54:36 -49.133426 0.000208 LBFGSLineSearch: 13 01:54:36 -49.133426 0.000190 LBFGSLineSearch: 14 01:54:36 -49.133426 0.000153 LBFGSLineSearch: 15 01:54:36 -49.133426 0.000135 LBFGSLineSearch: 16 01:54:36 -49.133426 0.000165 LBFGSLineSearch: 17 01:54:36 -49.133426 0.000127 LBFGSLineSearch: 18 01:54:37 -49.133426 0.000087 LBFGSLineSearch: 19 01:54:37 -49.133426 0.000048 LBFGSLineSearch: 20 01:54:37 -49.133426 0.000026 LBFGSLineSearch: 21 01:54:37 -49.133426 0.000002 Minimization converged after 21 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:54:43 -49.456650 0.032324 LBFGSLineSearch: 1 01:54:44 -49.456975 0.019096 LBFGSLineSearch: 2 01:54:44 -49.457056 0.009690 LBFGSLineSearch: 3 01:54:44 -49.457072 0.003260 LBFGSLineSearch: 4 01:54:44 -49.457074 0.003384 LBFGSLineSearch: 5 01:54:45 -49.457075 0.001731 LBFGSLineSearch: 6 01:54:45 -49.457077 0.001368 LBFGSLineSearch: 7 01:54:45 -49.457077 0.001032 LBFGSLineSearch: 8 01:54:46 -49.457078 0.000997 LBFGSLineSearch: 9 01:54:46 -49.457078 0.000684 LBFGSLineSearch: 10 01:54:47 -49.457078 0.000413 LBFGSLineSearch: 11 01:54:47 -49.457078 0.000191 LBFGSLineSearch: 12 01:54:47 -49.457078 0.000196 LBFGSLineSearch: 13 01:54:48 -49.457078 0.000179 LBFGSLineSearch: 14 01:54:48 -49.457078 0.000149 LBFGSLineSearch: 15 01:54:48 -49.457078 0.000146 LBFGSLineSearch: 16 01:54:48 -49.457078 0.000135 LBFGSLineSearch: 17 01:54:49 -49.457078 0.000119 LBFGSLineSearch: 18 01:54:49 -49.457078 0.000122 LBFGSLineSearch: 19 01:54:51 -49.457078 0.000039 LBFGSLineSearch: 20 01:54:52 -49.457078 0.000003 Minimization converged after 20 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:00 -49.781162 0.032409 LBFGSLineSearch: 1 01:55:00 -49.781491 0.019345 LBFGSLineSearch: 2 01:55:00 -49.781576 0.009937 LBFGSLineSearch: 3 01:55:01 -49.781592 0.003364 LBFGSLineSearch: 4 01:55:01 -49.781594 0.003676 LBFGSLineSearch: 5 01:55:01 -49.781596 0.001785 LBFGSLineSearch: 6 01:55:02 -49.781597 0.001411 LBFGSLineSearch: 7 01:55:02 -49.781598 0.001071 LBFGSLineSearch: 8 01:55:02 -49.781599 0.001028 LBFGSLineSearch: 9 01:55:03 -49.781599 0.000804 LBFGSLineSearch: 10 01:55:03 -49.781599 0.000640 LBFGSLineSearch: 11 01:55:03 -49.781599 0.000433 LBFGSLineSearch: 12 01:55:04 -49.781599 0.000190 LBFGSLineSearch: 13 01:55:04 -49.781599 0.000154 LBFGSLineSearch: 14 01:55:04 -49.781599 0.000140 LBFGSLineSearch: 15 01:55:04 -49.781599 0.000150 LBFGSLineSearch: 16 01:55:05 -49.781599 0.000127 LBFGSLineSearch: 17 01:55:05 -49.781599 0.000044 LBFGSLineSearch: 18 01:55:05 -49.781599 0.000038 LBFGSLineSearch: 19 01:55:06 -49.781599 0.000003 Minimization converged after 19 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:11 -50.106561 0.032498 LBFGSLineSearch: 1 01:55:12 -50.106895 0.019601 LBFGSLineSearch: 2 01:55:13 -50.106983 0.009975 LBFGSLineSearch: 3 01:55:13 -50.107000 0.003858 LBFGSLineSearch: 4 01:55:13 -50.107002 0.004696 LBFGSLineSearch: 5 01:55:14 -50.107004 0.001827 LBFGSLineSearch: 6 01:55:14 -50.107006 0.001548 LBFGSLineSearch: 7 01:55:14 -50.107006 0.001394 LBFGSLineSearch: 8 01:55:14 -50.107007 0.001151 LBFGSLineSearch: 9 01:55:15 -50.107008 0.000754 LBFGSLineSearch: 10 01:55:15 -50.107008 0.000430 LBFGSLineSearch: 11 01:55:15 -50.107008 0.000398 LBFGSLineSearch: 12 01:55:15 -50.107008 0.000462 LBFGSLineSearch: 13 01:55:15 -50.107008 0.000179 LBFGSLineSearch: 14 01:55:15 -50.107008 0.000137 LBFGSLineSearch: 15 01:55:15 -50.107008 0.000125 LBFGSLineSearch: 16 01:55:15 -50.107008 0.000144 LBFGSLineSearch: 17 01:55:15 -50.107008 0.000164 LBFGSLineSearch: 18 01:55:15 -50.107008 0.000112 LBFGSLineSearch: 19 01:55:16 -50.107008 0.000114 LBFGSLineSearch: 20 01:55:16 -50.107008 0.000097 LBFGSLineSearch: 21 01:55:16 -50.107008 0.000055 LBFGSLineSearch: 22 01:55:16 -50.107008 0.000035 LBFGSLineSearch: 23 01:55:16 -50.107008 0.000003 Minimization converged after 23 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:22 -50.432868 0.032588 LBFGSLineSearch: 1 01:55:23 -50.433206 0.019870 LBFGSLineSearch: 2 01:55:23 -50.433299 0.009820 LBFGSLineSearch: 3 01:55:23 -50.433316 0.004711 LBFGSLineSearch: 4 01:55:23 -50.433318 0.003534 LBFGSLineSearch: 5 01:55:25 -50.433320 0.003203 LBFGSLineSearch: 6 01:55:26 -50.433321 0.002229 LBFGSLineSearch: 7 01:55:26 -50.433322 0.001794 LBFGSLineSearch: 8 01:55:27 -50.433323 0.003072 LBFGSLineSearch: 9 01:55:27 -50.433324 0.001374 LBFGSLineSearch: 10 01:55:27 -50.433324 0.001388 LBFGSLineSearch: 11 01:55:27 -50.433325 0.000722 LBFGSLineSearch: 12 01:55:28 -50.433325 0.000985 LBFGSLineSearch: 13 01:55:28 -50.433325 0.001183 LBFGSLineSearch: 14 01:55:28 -50.433325 0.000442 LBFGSLineSearch: 15 01:55:28 -50.433325 0.000431 LBFGSLineSearch: 16 01:55:29 -50.433326 0.000153 LBFGSLineSearch: 17 01:55:29 -50.433326 0.000152 LBFGSLineSearch: 18 01:55:29 -50.433326 0.000125 LBFGSLineSearch: 19 01:55:29 -50.433326 0.000104 LBFGSLineSearch: 20 01:55:30 -50.433326 0.000120 LBFGSLineSearch: 21 01:55:30 -50.433326 0.000098 LBFGSLineSearch: 22 01:55:30 -50.433326 0.000107 LBFGSLineSearch: 23 01:55:31 -50.433326 0.000053 LBFGSLineSearch: 24 01:55:31 -50.433326 0.000037 LBFGSLineSearch: 25 01:55:32 -50.433326 0.000003 Minimization converged after 25 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:38 -50.760104 0.032680 LBFGSLineSearch: 1 01:55:39 -50.760448 0.020149 LBFGSLineSearch: 2 01:55:39 -50.760544 0.009661 LBFGSLineSearch: 3 01:55:39 -50.760561 0.005424 LBFGSLineSearch: 4 01:55:40 -50.760565 0.003910 LBFGSLineSearch: 5 01:55:40 -50.760567 0.003338 LBFGSLineSearch: 6 01:55:40 -50.760568 0.002784 LBFGSLineSearch: 7 01:55:40 -50.760569 0.001878 LBFGSLineSearch: 8 01:55:40 -50.760570 0.002919 LBFGSLineSearch: 9 01:55:40 -50.760571 0.001452 LBFGSLineSearch: 10 01:55:41 -50.760571 0.001274 LBFGSLineSearch: 11 01:55:41 -50.760572 0.001210 LBFGSLineSearch: 12 01:55:41 -50.760573 0.000781 LBFGSLineSearch: 13 01:55:42 -50.760573 0.000470 LBFGSLineSearch: 14 01:55:42 -50.760573 0.000449 LBFGSLineSearch: 15 01:55:42 -50.760573 0.000447 LBFGSLineSearch: 16 01:55:43 -50.760573 0.000147 LBFGSLineSearch: 17 01:55:43 -50.760573 0.000142 LBFGSLineSearch: 18 01:55:43 -50.760573 0.000101 LBFGSLineSearch: 19 01:55:44 -50.760573 0.000110 LBFGSLineSearch: 20 01:55:44 -50.760573 0.000096 LBFGSLineSearch: 21 01:55:44 -50.760573 0.000113 LBFGSLineSearch: 22 01:55:45 -50.760573 0.000094 LBFGSLineSearch: 23 01:55:45 -50.760573 0.000038 LBFGSLineSearch: 24 01:55:46 -50.760573 0.000004 Minimization converged after 24 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:55:53 -51.088293 0.032775 LBFGSLineSearch: 1 01:55:54 -51.088642 0.020439 LBFGSLineSearch: 2 01:55:54 -51.088743 0.009503 LBFGSLineSearch: 3 01:55:55 -51.088759 0.006502 LBFGSLineSearch: 4 01:55:58 -51.088765 0.004313 LBFGSLineSearch: 5 01:55:59 -51.088767 0.003517 LBFGSLineSearch: 6 01:56:00 -51.088769 0.003597 LBFGSLineSearch: 7 01:56:00 -51.088770 0.002505 LBFGSLineSearch: 8 01:56:01 -51.088772 0.001582 LBFGSLineSearch: 9 01:56:01 -51.088772 0.001462 LBFGSLineSearch: 10 01:56:02 -51.088772 0.001610 LBFGSLineSearch: 11 01:56:03 -51.088773 0.001333 LBFGSLineSearch: 12 01:56:04 -51.088774 0.000558 LBFGSLineSearch: 13 01:56:05 -51.088774 0.000373 LBFGSLineSearch: 14 01:56:05 -51.088774 0.000531 LBFGSLineSearch: 15 01:56:06 -51.088774 0.000144 LBFGSLineSearch: 16 01:56:07 -51.088774 0.000139 LBFGSLineSearch: 17 01:56:07 -51.088774 0.000100 LBFGSLineSearch: 18 01:56:08 -51.088774 0.000113 LBFGSLineSearch: 19 01:56:08 -51.088774 0.000097 LBFGSLineSearch: 20 01:56:08 -51.088774 0.000086 LBFGSLineSearch: 21 01:56:09 -51.088774 0.000102 LBFGSLineSearch: 22 01:56:09 -51.088774 0.000043 LBFGSLineSearch: 23 01:56:09 -51.088774 0.000036 LBFGSLineSearch: 24 01:56:09 -51.088774 0.000004 Minimization converged after 24 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:15 -51.417460 0.032871 LBFGSLineSearch: 1 01:56:16 -51.417814 0.020740 LBFGSLineSearch: 2 01:56:16 -51.417919 0.009332 LBFGSLineSearch: 3 01:56:16 -51.417935 0.008177 LBFGSLineSearch: 4 01:56:17 -51.417944 0.004826 LBFGSLineSearch: 5 01:56:18 -51.417948 0.001980 LBFGSLineSearch: 6 01:56:20 -51.417949 0.002737 LBFGSLineSearch: 7 01:56:22 -51.417951 0.001689 LBFGSLineSearch: 8 01:56:22 -51.417951 0.001482 LBFGSLineSearch: 9 01:56:23 -51.417952 0.001390 LBFGSLineSearch: 10 01:56:25 -51.417953 0.000806 LBFGSLineSearch: 11 01:56:26 -51.417953 0.000365 LBFGSLineSearch: 12 01:56:26 -51.417953 0.000466 LBFGSLineSearch: 13 01:56:27 -51.417953 0.000618 LBFGSLineSearch: 14 01:56:27 -51.417953 0.000155 LBFGSLineSearch: 15 01:56:27 -51.417953 0.000116 LBFGSLineSearch: 16 01:56:28 -51.417953 0.000099 LBFGSLineSearch: 17 01:56:28 -51.417953 0.000106 LBFGSLineSearch: 18 01:56:29 -51.417953 0.000085 LBFGSLineSearch: 19 01:56:30 -51.417953 0.000082 LBFGSLineSearch: 20 01:56:31 -51.417953 0.000052 LBFGSLineSearch: 21 01:56:31 -51.417953 0.000044 LBFGSLineSearch: 22 01:56:31 -51.417953 0.000006 Minimization converged after 22 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:37 -51.747630 0.032970 LBFGSLineSearch: 1 01:56:39 -51.747989 0.021060 LBFGSLineSearch: 2 01:56:40 -51.748099 0.009158 LBFGSLineSearch: 3 01:56:43 -51.748115 0.009547 LBFGSLineSearch: 4 01:56:46 -51.748127 0.005028 LBFGSLineSearch: 5 01:56:47 -51.748131 0.002050 LBFGSLineSearch: 6 01:56:49 -51.748132 0.003353 LBFGSLineSearch: 7 01:56:49 -51.748134 0.001700 LBFGSLineSearch: 8 01:56:50 -51.748135 0.001453 LBFGSLineSearch: 9 01:56:50 -51.748136 0.000951 LBFGSLineSearch: 10 01:56:50 -51.748136 0.000881 LBFGSLineSearch: 11 01:56:50 -51.748137 0.000676 LBFGSLineSearch: 12 01:56:50 -51.748137 0.000526 LBFGSLineSearch: 13 01:56:50 -51.748137 0.000459 LBFGSLineSearch: 14 01:56:50 -51.748137 0.000157 LBFGSLineSearch: 15 01:56:51 -51.748137 0.000118 LBFGSLineSearch: 16 01:56:51 -51.748137 0.000094 LBFGSLineSearch: 17 01:56:51 -51.748137 0.000100 LBFGSLineSearch: 18 01:56:52 -51.748137 0.000074 LBFGSLineSearch: 19 01:56:52 -51.748137 0.000046 LBFGSLineSearch: 20 01:56:52 -51.748137 0.000032 LBFGSLineSearch: 21 01:56:52 -51.748137 0.000005 Minimization converged after 21 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:56:59 -52.078832 0.033073 LBFGSLineSearch: 1 01:57:00 -52.079197 0.021387 LBFGSLineSearch: 2 01:57:00 -52.079313 0.009444 LBFGSLineSearch: 3 01:57:00 -52.079328 0.010636 LBFGSLineSearch: 4 01:57:01 -52.079342 0.005263 LBFGSLineSearch: 5 01:57:01 -52.079347 0.002130 LBFGSLineSearch: 6 01:57:01 -52.079348 0.003527 LBFGSLineSearch: 7 01:57:01 -52.079351 0.001785 LBFGSLineSearch: 8 01:57:01 -52.079352 0.001540 LBFGSLineSearch: 9 01:57:02 -52.079353 0.001039 LBFGSLineSearch: 10 01:57:02 -52.079353 0.000945 LBFGSLineSearch: 11 01:57:02 -52.079353 0.000798 LBFGSLineSearch: 12 01:57:02 -52.079353 0.000660 LBFGSLineSearch: 13 01:57:02 -52.079353 0.000560 LBFGSLineSearch: 14 01:57:02 -52.079353 0.000222 LBFGSLineSearch: 15 01:57:02 -52.079354 0.000147 LBFGSLineSearch: 16 01:57:02 -52.079354 0.000128 LBFGSLineSearch: 17 01:57:03 -52.079354 0.000090 LBFGSLineSearch: 18 01:57:03 -52.079354 0.000097 LBFGSLineSearch: 19 01:57:03 -52.079354 0.000080 LBFGSLineSearch: 20 01:57:03 -52.079354 0.000070 LBFGSLineSearch: 21 01:57:03 -52.079354 0.000073 LBFGSLineSearch: 22 01:57:04 -52.079354 0.000059 LBFGSLineSearch: 23 01:57:04 -52.079354 0.000040 LBFGSLineSearch: 24 01:57:05 -52.079354 0.000032 LBFGSLineSearch: 25 01:57:05 -52.079354 0.000005 Minimization converged after 25 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:12 -52.411097 0.033178 LBFGSLineSearch: 1 01:57:13 -52.411468 0.021734 LBFGSLineSearch: 2 01:57:13 -52.411589 0.009854 LBFGSLineSearch: 3 01:57:13 -52.411605 0.011524 LBFGSLineSearch: 4 01:57:13 -52.411622 0.005529 LBFGSLineSearch: 5 01:57:13 -52.411627 0.002221 LBFGSLineSearch: 6 01:57:13 -52.411628 0.003662 LBFGSLineSearch: 7 01:57:14 -52.411631 0.001878 LBFGSLineSearch: 8 01:57:14 -52.411632 0.001635 LBFGSLineSearch: 9 01:57:14 -52.411633 0.001267 LBFGSLineSearch: 10 01:57:14 -52.411634 0.000948 LBFGSLineSearch: 11 01:57:15 -52.411634 0.000624 LBFGSLineSearch: 12 01:57:15 -52.411634 0.000587 LBFGSLineSearch: 13 01:57:15 -52.411634 0.000196 LBFGSLineSearch: 14 01:57:15 -52.411634 0.000164 LBFGSLineSearch: 15 01:57:15 -52.411634 0.000150 LBFGSLineSearch: 16 01:57:16 -52.411634 0.000086 LBFGSLineSearch: 17 01:57:16 -52.411634 0.000077 LBFGSLineSearch: 18 01:57:16 -52.411634 0.000079 LBFGSLineSearch: 19 01:57:17 -52.411634 0.000064 LBFGSLineSearch: 20 01:57:17 -52.411634 0.000069 LBFGSLineSearch: 21 01:57:18 -52.411634 0.000049 LBFGSLineSearch: 22 01:57:19 -52.411634 0.000042 LBFGSLineSearch: 23 01:57:20 -52.411634 0.000015 LBFGSLineSearch: 24 01:57:21 -52.411634 0.000006 Minimization converged after 24 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:29 -52.744457 0.033287 LBFGSLineSearch: 1 01:57:30 -52.744835 0.022095 LBFGSLineSearch: 2 01:57:31 -52.744961 0.010289 LBFGSLineSearch: 3 01:57:31 -52.744978 0.012276 LBFGSLineSearch: 4 01:57:31 -52.744998 0.005827 LBFGSLineSearch: 5 01:57:31 -52.745004 0.002324 LBFGSLineSearch: 6 01:57:32 -52.745005 0.003797 LBFGSLineSearch: 7 01:57:32 -52.745008 0.001981 LBFGSLineSearch: 8 01:57:32 -52.745010 0.001734 LBFGSLineSearch: 9 01:57:32 -52.745010 0.001441 LBFGSLineSearch: 10 01:57:32 -52.745011 0.000972 LBFGSLineSearch: 11 01:57:32 -52.745012 0.000451 LBFGSLineSearch: 12 01:57:33 -52.745012 0.000582 LBFGSLineSearch: 13 01:57:33 -52.745012 0.000733 LBFGSLineSearch: 14 01:57:34 -52.745012 0.000176 LBFGSLineSearch: 15 01:57:34 -52.745012 0.000089 LBFGSLineSearch: 16 01:57:34 -52.745012 0.000078 LBFGSLineSearch: 17 01:57:35 -52.745012 0.000075 LBFGSLineSearch: 18 01:57:35 -52.745012 0.000060 LBFGSLineSearch: 19 01:57:36 -52.745012 0.000058 LBFGSLineSearch: 20 01:57:36 -52.745012 0.000042 LBFGSLineSearch: 21 01:57:37 -52.745012 0.000013 LBFGSLineSearch: 22 01:57:37 -52.745012 0.000006 Minimization converged after 22 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:44 -53.078950 0.033399 LBFGSLineSearch: 1 01:57:44 -53.079334 0.022475 LBFGSLineSearch: 2 01:57:44 -53.079467 0.010752 LBFGSLineSearch: 3 01:57:44 -53.079485 0.012944 LBFGSLineSearch: 4 01:57:44 -53.079507 0.006160 LBFGSLineSearch: 5 01:57:44 -53.079514 0.002530 LBFGSLineSearch: 6 01:57:45 -53.079515 0.003944 LBFGSLineSearch: 7 01:57:45 -53.079519 0.002097 LBFGSLineSearch: 8 01:57:45 -53.079521 0.001785 LBFGSLineSearch: 9 01:57:45 -53.079521 0.001521 LBFGSLineSearch: 10 01:57:46 -53.079522 0.001031 LBFGSLineSearch: 11 01:57:46 -53.079523 0.000482 LBFGSLineSearch: 12 01:57:46 -53.079523 0.000619 LBFGSLineSearch: 13 01:57:46 -53.079523 0.000774 LBFGSLineSearch: 14 01:57:46 -53.079523 0.000185 LBFGSLineSearch: 15 01:57:46 -53.079523 0.000071 LBFGSLineSearch: 16 01:57:46 -53.079523 0.000058 LBFGSLineSearch: 17 01:57:47 -53.079523 0.000048 LBFGSLineSearch: 18 01:57:47 -53.079523 0.000041 LBFGSLineSearch: 19 01:57:47 -53.079523 0.000046 LBFGSLineSearch: 20 01:57:47 -53.079523 0.000011 LBFGSLineSearch: 21 01:57:47 -53.079523 0.000007 Minimization converged after 21 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:57:55 -53.414614 0.033515 LBFGSLineSearch: 1 01:57:56 -53.415004 0.022877 LBFGSLineSearch: 2 01:57:57 -53.415144 0.011247 LBFGSLineSearch: 3 01:57:58 -53.415164 0.013568 LBFGSLineSearch: 4 01:57:58 -53.415189 0.006530 LBFGSLineSearch: 5 01:57:59 -53.415197 0.002792 LBFGSLineSearch: 6 01:58:00 -53.415198 0.004111 LBFGSLineSearch: 7 01:58:01 -53.415202 0.002270 LBFGSLineSearch: 8 01:58:03 -53.415203 0.001917 LBFGSLineSearch: 9 01:58:04 -53.415205 0.002105 LBFGSLineSearch: 10 01:58:04 -53.415207 0.001075 LBFGSLineSearch: 11 01:58:06 -53.415207 0.000602 LBFGSLineSearch: 12 01:58:06 -53.415207 0.000657 LBFGSLineSearch: 13 01:58:09 -53.415207 0.000797 LBFGSLineSearch: 14 01:58:10 -53.415207 0.000193 LBFGSLineSearch: 15 01:58:11 -53.415207 0.000104 LBFGSLineSearch: 16 01:58:11 -53.415207 0.000074 LBFGSLineSearch: 17 01:58:12 -53.415207 0.000077 LBFGSLineSearch: 18 01:58:12 -53.415207 0.000055 LBFGSLineSearch: 19 01:58:13 -53.415207 0.000044 LBFGSLineSearch: 20 01:58:13 -53.415207 0.000026 LBFGSLineSearch: 21 01:58:14 -53.415207 0.000036 LBFGSLineSearch: 22 01:58:15 -53.415207 0.000020 LBFGSLineSearch: 23 01:58:15 -53.415207 0.000009 Minimization converged after 23 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:23 -53.751492 0.033634 LBFGSLineSearch: 1 01:58:24 -53.751890 0.023300 LBFGSLineSearch: 2 01:58:25 -53.752037 0.011776 LBFGSLineSearch: 3 01:58:26 -53.752055 0.011317 LBFGSLineSearch: 4 01:58:27 -53.752076 0.008668 LBFGSLineSearch: 5 01:58:28 -53.752091 0.006523 LBFGSLineSearch: 6 01:58:29 -53.752098 0.002555 LBFGSLineSearch: 7 01:58:30 -53.752100 0.004702 LBFGSLineSearch: 8 01:58:30 -53.752103 0.002272 LBFGSLineSearch: 9 01:58:31 -53.752106 0.002164 LBFGSLineSearch: 10 01:58:33 -53.752107 0.001401 LBFGSLineSearch: 11 01:58:34 -53.752108 0.001035 LBFGSLineSearch: 12 01:58:35 -53.752108 0.000931 LBFGSLineSearch: 13 01:58:35 -53.752108 0.000750 LBFGSLineSearch: 14 01:58:35 -53.752108 0.000736 LBFGSLineSearch: 15 01:58:36 -53.752108 0.000318 LBFGSLineSearch: 16 01:58:36 -53.752108 0.000159 LBFGSLineSearch: 17 01:58:36 -53.752108 0.000156 LBFGSLineSearch: 18 01:58:37 -53.752108 0.000098 LBFGSLineSearch: 19 01:58:37 -53.752108 0.000095 LBFGSLineSearch: 20 01:58:37 -53.752108 0.000056 LBFGSLineSearch: 21 01:58:37 -53.752108 0.000039 LBFGSLineSearch: 22 01:58:38 -53.752108 0.000044 LBFGSLineSearch: 23 01:58:38 -53.752108 0.000031 LBFGSLineSearch: 24 01:58:38 -53.752108 0.000034 LBFGSLineSearch: 25 01:58:39 -53.752108 0.000024 LBFGSLineSearch: 26 01:58:39 -53.752108 0.000013 LBFGSLineSearch: 27 01:58:39 -53.752108 0.000006 Minimization converged after 27 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:58:48 -54.089634 0.033758 LBFGSLineSearch: 1 01:58:50 -54.090039 0.023749 LBFGSLineSearch: 2 01:58:51 -54.090194 0.012344 LBFGSLineSearch: 3 01:58:52 -54.090215 0.011814 LBFGSLineSearch: 4 01:58:52 -54.090237 0.009442 LBFGSLineSearch: 5 01:58:52 -54.090255 0.006977 LBFGSLineSearch: 6 01:58:53 -54.090263 0.002698 LBFGSLineSearch: 7 01:58:53 -54.090265 0.004952 LBFGSLineSearch: 8 01:58:53 -54.090269 0.002429 LBFGSLineSearch: 9 01:58:53 -54.090272 0.002337 LBFGSLineSearch: 10 01:58:54 -54.090273 0.001661 LBFGSLineSearch: 11 01:58:55 -54.090274 0.001092 LBFGSLineSearch: 12 01:58:55 -54.090275 0.000718 LBFGSLineSearch: 13 01:58:55 -54.090275 0.000805 LBFGSLineSearch: 14 01:58:55 -54.090275 0.000341 LBFGSLineSearch: 15 01:58:55 -54.090275 0.000194 LBFGSLineSearch: 16 01:58:56 -54.090275 0.000162 LBFGSLineSearch: 17 01:58:56 -54.090275 0.000078 LBFGSLineSearch: 18 01:58:56 -54.090275 0.000101 LBFGSLineSearch: 19 01:58:56 -54.090275 0.000045 LBFGSLineSearch: 20 01:58:56 -54.090275 0.000045 LBFGSLineSearch: 21 01:58:56 -54.090275 0.000023 LBFGSLineSearch: 22 01:58:57 -54.090275 0.000030 LBFGSLineSearch: 23 01:58:57 -54.090275 0.000006 Minimization converged after 23 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:04 -54.429092 0.033885 LBFGSLineSearch: 1 01:59:05 -54.429505 0.024222 LBFGSLineSearch: 2 01:59:06 -54.429669 0.012953 LBFGSLineSearch: 3 01:59:07 -54.429693 0.012359 LBFGSLineSearch: 4 01:59:08 -54.429717 0.010214 LBFGSLineSearch: 5 01:59:08 -54.429738 0.007490 LBFGSLineSearch: 6 01:59:09 -54.429747 0.002930 LBFGSLineSearch: 7 01:59:10 -54.429750 0.005240 LBFGSLineSearch: 8 01:59:12 -54.429755 0.002638 LBFGSLineSearch: 9 01:59:13 -54.429756 0.002665 LBFGSLineSearch: 10 01:59:15 -54.429759 0.002674 LBFGSLineSearch: 11 01:59:16 -54.429761 0.001151 LBFGSLineSearch: 12 01:59:16 -54.429761 0.000751 LBFGSLineSearch: 13 01:59:16 -54.429761 0.000810 LBFGSLineSearch: 14 01:59:17 -54.429762 0.000928 LBFGSLineSearch: 15 01:59:17 -54.429762 0.000222 LBFGSLineSearch: 16 01:59:17 -54.429762 0.000173 LBFGSLineSearch: 17 01:59:17 -54.429762 0.000099 LBFGSLineSearch: 18 01:59:17 -54.429762 0.000096 LBFGSLineSearch: 19 01:59:17 -54.429762 0.000049 LBFGSLineSearch: 20 01:59:17 -54.429762 0.000052 LBFGSLineSearch: 21 01:59:17 -54.429762 0.000025 LBFGSLineSearch: 22 01:59:17 -54.429762 0.000034 LBFGSLineSearch: 23 01:59:18 -54.429762 0.000005 Minimization converged after 23 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:23 -54.769928 0.034018 LBFGSLineSearch: 1 01:59:24 -54.770349 0.024725 LBFGSLineSearch: 2 01:59:25 -54.770522 0.013609 LBFGSLineSearch: 3 01:59:26 -54.770550 0.012950 LBFGSLineSearch: 4 01:59:26 -54.770577 0.010986 LBFGSLineSearch: 5 01:59:27 -54.770601 0.008058 LBFGSLineSearch: 6 01:59:27 -54.770612 0.003283 LBFGSLineSearch: 7 01:59:28 -54.770614 0.005562 LBFGSLineSearch: 8 01:59:29 -54.770621 0.002860 LBFGSLineSearch: 9 01:59:30 -54.770621 0.002530 LBFGSLineSearch: 10 01:59:31 -54.770624 0.001957 LBFGSLineSearch: 11 01:59:32 -54.770626 0.002579 LBFGSLineSearch: 12 01:59:33 -54.770627 0.003105 LBFGSLineSearch: 13 01:59:34 -54.770628 0.000968 LBFGSLineSearch: 14 01:59:36 -54.770628 0.000919 LBFGSLineSearch: 15 01:59:37 -54.770629 0.000423 LBFGSLineSearch: 16 01:59:38 -54.770629 0.000216 LBFGSLineSearch: 17 01:59:38 -54.770629 0.000160 LBFGSLineSearch: 18 01:59:39 -54.770629 0.000089 LBFGSLineSearch: 19 01:59:39 -54.770629 0.000136 LBFGSLineSearch: 20 01:59:40 -54.770629 0.000074 LBFGSLineSearch: 21 01:59:40 -54.770629 0.000060 LBFGSLineSearch: 22 01:59:40 -54.770629 0.000053 LBFGSLineSearch: 23 01:59:40 -54.770629 0.000032 LBFGSLineSearch: 24 01:59:41 -54.770629 0.000043 LBFGSLineSearch: 25 01:59:41 -54.770629 0.000030 LBFGSLineSearch: 26 01:59:41 -54.770629 0.000011 LBFGSLineSearch: 27 01:59:41 -54.770629 0.000004 Minimization converged after 27 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 01:59:47 -55.112208 0.034162 LBFGSLineSearch: 1 01:59:49 -55.112637 0.025261 LBFGSLineSearch: 2 01:59:50 -55.112821 0.014310 LBFGSLineSearch: 3 01:59:50 -55.112854 0.013591 LBFGSLineSearch: 4 01:59:50 -55.112883 0.011769 LBFGSLineSearch: 5 01:59:51 -55.112911 0.008686 LBFGSLineSearch: 6 01:59:52 -55.112924 0.003684 LBFGSLineSearch: 7 01:59:53 -55.112927 0.005917 LBFGSLineSearch: 8 01:59:55 -55.112934 0.003090 LBFGSLineSearch: 9 01:59:55 -55.112935 0.002901 LBFGSLineSearch: 10 01:59:55 -55.112936 0.003315 LBFGSLineSearch: 11 01:59:56 -55.112940 0.003116 LBFGSLineSearch: 12 01:59:56 -55.112943 0.001188 LBFGSLineSearch: 13 01:59:56 -55.112943 0.000885 LBFGSLineSearch: 14 01:59:56 -55.112943 0.000942 LBFGSLineSearch: 15 01:59:56 -55.112943 0.000822 LBFGSLineSearch: 16 01:59:57 -55.112944 0.000231 LBFGSLineSearch: 17 01:59:57 -55.112944 0.000145 LBFGSLineSearch: 18 01:59:57 -55.112944 0.000122 LBFGSLineSearch: 19 01:59:57 -55.112944 0.000099 LBFGSLineSearch: 20 01:59:57 -55.112944 0.000074 LBFGSLineSearch: 21 01:59:58 -55.112944 0.000057 LBFGSLineSearch: 22 01:59:58 -55.112944 0.000047 LBFGSLineSearch: 23 01:59:58 -55.112944 0.000050 LBFGSLineSearch: 24 01:59:59 -55.112944 0.000056 LBFGSLineSearch: 25 01:59:59 -55.112944 0.000012 LBFGSLineSearch: 26 02:00:00 -55.112944 0.000009 Minimization converged after 26 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:06 -55.456007 0.034316 LBFGSLineSearch: 1 02:00:07 -55.456445 0.025829 LBFGSLineSearch: 2 02:00:08 -55.456640 0.015056 LBFGSLineSearch: 3 02:00:09 -55.456679 0.014288 LBFGSLineSearch: 4 02:00:10 -55.456712 0.012577 LBFGSLineSearch: 5 02:00:11 -55.456744 0.009385 LBFGSLineSearch: 6 02:00:11 -55.456759 0.004142 LBFGSLineSearch: 7 02:00:11 -55.456762 0.004407 LBFGSLineSearch: 8 02:00:12 -55.456766 0.006679 LBFGSLineSearch: 9 02:00:13 -55.456772 0.003074 LBFGSLineSearch: 10 02:00:15 -55.456777 0.003267 LBFGSLineSearch: 11 02:00:15 -55.456780 0.001947 LBFGSLineSearch: 12 02:00:16 -55.456781 0.001312 LBFGSLineSearch: 13 02:00:17 -55.456781 0.001205 LBFGSLineSearch: 14 02:00:18 -55.456782 0.001135 LBFGSLineSearch: 15 02:00:19 -55.456782 0.001053 LBFGSLineSearch: 16 02:00:19 -55.456782 0.000595 LBFGSLineSearch: 17 02:00:20 -55.456782 0.000250 LBFGSLineSearch: 18 02:00:21 -55.456782 0.000231 LBFGSLineSearch: 19 02:00:23 -55.456782 0.000183 LBFGSLineSearch: 20 02:00:24 -55.456782 0.000154 LBFGSLineSearch: 21 02:00:25 -55.456782 0.000138 LBFGSLineSearch: 22 02:00:26 -55.456782 0.000112 LBFGSLineSearch: 23 02:00:27 -55.456782 0.000101 LBFGSLineSearch: 24 02:00:29 -55.456782 0.000100 LBFGSLineSearch: 25 02:00:30 -55.456782 0.000065 LBFGSLineSearch: 26 02:00:31 -55.456782 0.000017 LBFGSLineSearch: 27 02:00:33 -55.456782 0.000016 LBFGSLineSearch: 28 02:00:34 -55.456782 0.000004 Minimization converged after 28 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:00:40 -55.801411 0.034466 LBFGSLineSearch: 1 02:00:41 -55.801859 0.026435 LBFGSLineSearch: 2 02:00:41 -55.802065 0.015859 LBFGSLineSearch: 3 02:00:41 -55.802111 0.015064 LBFGSLineSearch: 4 02:00:42 -55.802148 0.013449 LBFGSLineSearch: 5 02:00:42 -55.802185 0.010178 LBFGSLineSearch: 6 02:00:42 -55.802203 0.004675 LBFGSLineSearch: 7 02:00:42 -55.802207 0.004805 LBFGSLineSearch: 8 02:00:42 -55.802212 0.007320 LBFGSLineSearch: 9 02:00:43 -55.802219 0.003304 LBFGSLineSearch: 10 02:00:43 -55.802225 0.003543 LBFGSLineSearch: 11 02:00:43 -55.802228 0.002172 LBFGSLineSearch: 12 02:00:43 -55.802230 0.001414 LBFGSLineSearch: 13 02:00:44 -55.802230 0.001361 LBFGSLineSearch: 14 02:00:44 -55.802230 0.001281 LBFGSLineSearch: 15 02:00:44 -55.802231 0.001150 LBFGSLineSearch: 16 02:00:45 -55.802231 0.000673 LBFGSLineSearch: 17 02:00:45 -55.802231 0.000317 LBFGSLineSearch: 18 02:00:45 -55.802231 0.000264 LBFGSLineSearch: 19 02:00:46 -55.802231 0.000206 LBFGSLineSearch: 20 02:00:46 -55.802231 0.000192 LBFGSLineSearch: 21 02:00:47 -55.802231 0.000187 LBFGSLineSearch: 22 02:00:49 -55.802231 0.000129 LBFGSLineSearch: 23 02:00:50 -55.802231 0.000106 LBFGSLineSearch: 24 02:00:52 -55.802231 0.000078 LBFGSLineSearch: 25 02:00:54 -55.802231 0.000093 LBFGSLineSearch: 26 02:00:55 -55.802231 0.000093 LBFGSLineSearch: 27 02:00:55 -55.802231 0.000027 LBFGSLineSearch: 28 02:00:56 -55.802231 0.000022 LBFGSLineSearch: 29 02:00:56 -55.802231 0.000010 LBFGSLineSearch: 30 02:00:56 -55.802231 0.000002 Minimization converged after 30 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:01 -56.148518 0.034630 LBFGSLineSearch: 1 02:01:02 -56.148976 0.027097 LBFGSLineSearch: 2 02:01:03 -56.149196 0.016743 LBFGSLineSearch: 3 02:01:04 -56.149251 0.015976 LBFGSLineSearch: 4 02:01:05 -56.149294 0.014474 LBFGSLineSearch: 5 02:01:06 -56.149338 0.011143 LBFGSLineSearch: 6 02:01:08 -56.149360 0.005321 LBFGSLineSearch: 7 02:01:10 -56.149364 0.005305 LBFGSLineSearch: 8 02:01:11 -56.149370 0.008155 LBFGSLineSearch: 9 02:01:11 -56.149379 0.003616 LBFGSLineSearch: 10 02:01:11 -56.149387 0.003924 LBFGSLineSearch: 11 02:01:11 -56.149389 0.002526 LBFGSLineSearch: 12 02:01:11 -56.149392 0.001590 LBFGSLineSearch: 13 02:01:12 -56.149393 0.001549 LBFGSLineSearch: 14 02:01:12 -56.149393 0.001447 LBFGSLineSearch: 15 02:01:12 -56.149394 0.001267 LBFGSLineSearch: 16 02:01:12 -56.149394 0.000747 LBFGSLineSearch: 17 02:01:12 -56.149394 0.000344 LBFGSLineSearch: 18 02:01:12 -56.149394 0.000302 LBFGSLineSearch: 19 02:01:13 -56.149394 0.000228 LBFGSLineSearch: 20 02:01:13 -56.149394 0.000225 LBFGSLineSearch: 21 02:01:13 -56.149394 0.000216 LBFGSLineSearch: 22 02:01:13 -56.149394 0.000148 LBFGSLineSearch: 23 02:01:13 -56.149394 0.000147 LBFGSLineSearch: 24 02:01:13 -56.149394 0.000083 LBFGSLineSearch: 25 02:01:13 -56.149394 0.000105 LBFGSLineSearch: 26 02:01:13 -56.149394 0.000120 LBFGSLineSearch: 27 02:01:14 -56.149394 0.000053 LBFGSLineSearch: 28 02:01:14 -56.149394 0.000024 LBFGSLineSearch: 29 02:01:14 -56.149394 0.000030 LBFGSLineSearch: 30 02:01:14 -56.149394 0.000001 Minimization converged after 30 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:22 -56.497456 0.034806 LBFGSLineSearch: 1 02:01:25 -56.497926 0.027865 LBFGSLineSearch: 2 02:01:29 -56.498163 0.017795 LBFGSLineSearch: 3 02:01:32 -56.498231 0.017203 LBFGSLineSearch: 4 02:01:33 -56.498282 0.015942 LBFGSLineSearch: 5 02:01:34 -56.498335 0.012527 LBFGSLineSearch: 6 02:01:34 -56.498364 0.006201 LBFGSLineSearch: 7 02:01:34 -56.498370 0.006077 LBFGSLineSearch: 8 02:01:34 -56.498378 0.009593 LBFGSLineSearch: 9 02:01:35 -56.498391 0.004236 LBFGSLineSearch: 10 02:01:35 -56.498402 0.004720 LBFGSLineSearch: 11 02:01:35 -56.498405 0.003652 LBFGSLineSearch: 12 02:01:36 -56.498411 0.001946 LBFGSLineSearch: 13 02:01:36 -56.498413 0.001397 LBFGSLineSearch: 14 02:01:36 -56.498414 0.001423 LBFGSLineSearch: 15 02:01:37 -56.498414 0.001153 LBFGSLineSearch: 16 02:01:38 -56.498414 0.000407 LBFGSLineSearch: 17 02:01:39 -56.498414 0.000288 LBFGSLineSearch: 18 02:01:39 -56.498414 0.000208 LBFGSLineSearch: 19 02:01:40 -56.498414 0.000124 LBFGSLineSearch: 20 02:01:40 -56.498414 0.000094 LBFGSLineSearch: 21 02:01:41 -56.498414 0.000098 LBFGSLineSearch: 22 02:01:42 -56.498414 0.000062 LBFGSLineSearch: 23 02:01:43 -56.498414 0.000016 LBFGSLineSearch: 24 02:01:44 -56.498414 0.000019 LBFGSLineSearch: 25 02:01:45 -56.498414 0.000007 Minimization converged after 25 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:01:50 -56.848435 0.035005 LBFGSLineSearch: 1 02:01:50 -56.848920 0.028907 LBFGSLineSearch: 2 02:01:50 -56.849186 0.019371 LBFGSLineSearch: 3 02:01:51 -56.849276 0.019405 LBFGSLineSearch: 4 02:01:51 -56.849344 0.017476 LBFGSLineSearch: 5 02:01:53 -56.849410 0.014770 LBFGSLineSearch: 6 02:01:55 -56.849450 0.007348 LBFGSLineSearch: 7 02:01:57 -56.849459 0.007479 LBFGSLineSearch: 8 02:01:59 -56.849471 0.012104 LBFGSLineSearch: 9 02:02:02 -56.849492 0.005012 LBFGSLineSearch: 10 02:02:04 -56.849507 0.005671 LBFGSLineSearch: 11 02:02:05 -56.849512 0.004543 LBFGSLineSearch: 12 02:02:07 -56.849520 0.002275 LBFGSLineSearch: 13 02:02:08 -56.849523 0.001791 LBFGSLineSearch: 14 02:02:10 -56.849523 0.001449 LBFGSLineSearch: 15 02:02:13 -56.849523 0.000397 LBFGSLineSearch: 16 02:02:15 -56.849523 0.000420 LBFGSLineSearch: 17 02:02:18 -56.849523 0.000367 LBFGSLineSearch: 18 02:02:19 -56.849524 0.000298 LBFGSLineSearch: 19 02:02:21 -56.849524 0.000151 LBFGSLineSearch: 20 02:02:25 -56.849524 0.000130 LBFGSLineSearch: 21 02:02:27 -56.849524 0.000119 LBFGSLineSearch: 22 02:02:31 -56.849524 0.000038 LBFGSLineSearch: 23 02:02:36 -56.849524 0.000031 LBFGSLineSearch: 24 02:02:42 -56.849524 0.000021 LBFGSLineSearch: 25 02:02:46 -56.849524 0.000009 Minimization converged after 25 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:02:54 -57.201728 0.035228 LBFGSLineSearch: 1 02:02:55 -57.202224 0.029660 LBFGSLineSearch: 2 02:02:55 -57.202502 0.020431 LBFGSLineSearch: 3 02:02:56 -57.202607 0.020154 LBFGSLineSearch: 4 02:02:56 -57.202681 0.019360 LBFGSLineSearch: 5 02:02:56 -57.202765 0.015805 LBFGSLineSearch: 6 02:02:57 -57.202811 0.008519 LBFGSLineSearch: 7 02:02:57 -57.202822 0.007973 LBFGSLineSearch: 8 02:02:57 -57.202835 0.012729 LBFGSLineSearch: 9 02:02:58 -57.202859 0.005304 LBFGSLineSearch: 10 02:02:58 -57.202875 0.005603 LBFGSLineSearch: 11 02:02:59 -57.202879 0.004889 LBFGSLineSearch: 12 02:02:59 -57.202890 0.002777 LBFGSLineSearch: 13 02:02:59 -57.202893 0.001965 LBFGSLineSearch: 14 02:02:59 -57.202894 0.001811 LBFGSLineSearch: 15 02:03:00 -57.202894 0.001115 LBFGSLineSearch: 16 02:03:00 -57.202894 0.000450 LBFGSLineSearch: 17 02:03:00 -57.202895 0.000375 LBFGSLineSearch: 18 02:03:00 -57.202895 0.000402 LBFGSLineSearch: 19 02:03:01 -57.202895 0.000384 LBFGSLineSearch: 20 02:03:01 -57.202895 0.000269 LBFGSLineSearch: 21 02:03:02 -57.202895 0.000216 LBFGSLineSearch: 22 02:03:03 -57.202895 0.000209 LBFGSLineSearch: 23 02:03:04 -57.202895 0.000080 LBFGSLineSearch: 24 02:03:04 -57.202895 0.000034 LBFGSLineSearch: 25 02:03:05 -57.202895 0.000019 LBFGSLineSearch: 26 02:03:06 -57.202895 0.000004 Minimization converged after 26 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:03:15 -57.557480 0.035460 LBFGSLineSearch: 1 02:03:17 -57.557991 0.030712 LBFGSLineSearch: 2 02:03:18 -57.558384 0.027321 LBFGSLineSearch: 3 02:03:20 -57.558545 0.014324 LBFGSLineSearch: 4 02:03:21 -57.558603 0.015858 LBFGSLineSearch: 5 02:03:22 -57.558648 0.018320 LBFGSLineSearch: 6 02:03:23 -57.558697 0.010632 LBFGSLineSearch: 7 02:03:24 -57.558749 0.005547 LBFGSLineSearch: 8 02:03:25 -57.558754 0.007107 LBFGSLineSearch: 9 02:03:26 -57.558771 0.005666 LBFGSLineSearch: 10 02:03:26 -57.558777 0.006107 LBFGSLineSearch: 11 02:03:27 -57.558784 0.007587 LBFGSLineSearch: 12 02:03:28 -57.558797 0.003512 LBFGSLineSearch: 13 02:03:28 -57.558803 0.002128 LBFGSLineSearch: 14 02:03:29 -57.558803 0.001925 LBFGSLineSearch: 15 02:03:30 -57.558804 0.000507 LBFGSLineSearch: 16 02:03:31 -57.558804 0.000516 LBFGSLineSearch: 17 02:03:32 -57.558804 0.000553 LBFGSLineSearch: 18 02:03:33 -57.558804 0.000565 LBFGSLineSearch: 19 02:03:36 -57.558804 0.000528 LBFGSLineSearch: 20 02:03:37 -57.558805 0.000520 LBFGSLineSearch: 21 02:03:41 -57.558805 0.000210 LBFGSLineSearch: 22 02:03:45 -57.558805 0.000271 LBFGSLineSearch: 23 02:03:51 -57.558805 0.000228 LBFGSLineSearch: 24 02:03:56 -57.558805 0.000013 LBFGSLineSearch: 25 02:04:01 -57.558805 0.000013 LBFGSLineSearch: 26 02:04:04 -57.558805 0.000004 Minimization converged after 26 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:04:16 -57.916107 0.035732 LBFGSLineSearch: 1 02:04:21 -57.916635 0.031948 LBFGSLineSearch: 2 02:04:26 -57.917088 0.030181 LBFGSLineSearch: 3 02:04:29 -57.917291 0.016768 LBFGSLineSearch: 4 02:04:32 -57.917373 0.018570 LBFGSLineSearch: 5 02:04:34 -57.917435 0.021563 LBFGSLineSearch: 6 02:04:36 -57.917505 0.012770 LBFGSLineSearch: 7 02:04:39 -57.917581 0.006640 LBFGSLineSearch: 8 02:04:40 -57.917587 0.007191 LBFGSLineSearch: 9 02:04:41 -57.917597 0.008810 LBFGSLineSearch: 10 02:04:42 -57.917622 0.006225 LBFGSLineSearch: 11 02:04:43 -57.917629 0.008587 LBFGSLineSearch: 12 02:04:43 -57.917652 0.003990 LBFGSLineSearch: 13 02:04:43 -57.917657 0.004074 LBFGSLineSearch: 14 02:04:44 -57.917660 0.002274 LBFGSLineSearch: 15 02:04:44 -57.917661 0.002450 LBFGSLineSearch: 16 02:04:44 -57.917662 0.002727 LBFGSLineSearch: 17 02:04:44 -57.917663 0.000812 LBFGSLineSearch: 18 02:04:45 -57.917663 0.000741 LBFGSLineSearch: 19 02:04:45 -57.917664 0.000686 LBFGSLineSearch: 20 02:04:47 -57.917664 0.000652 LBFGSLineSearch: 21 02:04:49 -57.917664 0.000881 LBFGSLineSearch: 22 02:04:52 -57.917665 0.000904 LBFGSLineSearch: 23 02:04:53 -57.917665 0.000410 LBFGSLineSearch: 24 02:04:54 -57.917665 0.000245 LBFGSLineSearch: 25 02:04:54 -57.917665 0.000242 LBFGSLineSearch: 26 02:04:55 -57.917665 0.000043 LBFGSLineSearch: 27 02:04:55 -57.917665 0.000042 LBFGSLineSearch: 28 02:04:56 -57.917665 0.000042 LBFGSLineSearch: 29 02:04:57 -57.917665 0.000001 Minimization converged after 29 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:02 -58.278189 0.036052 LBFGSLineSearch: 1 02:05:04 -58.278737 0.033457 LBFGSLineSearch: 2 02:05:05 -58.279274 0.034050 LBFGSLineSearch: 3 02:05:07 -58.279621 0.027596 LBFGSLineSearch: 4 02:05:08 -58.279731 0.024125 LBFGSLineSearch: 5 02:05:09 -58.279856 0.014828 LBFGSLineSearch: 6 02:05:11 -58.279985 0.010588 LBFGSLineSearch: 7 02:05:14 -58.280006 0.009546 LBFGSLineSearch: 8 02:05:16 -58.280019 0.009142 LBFGSLineSearch: 9 02:05:17 -58.280056 0.007893 LBFGSLineSearch: 10 02:05:18 -58.280067 0.008052 LBFGSLineSearch: 11 02:05:18 -58.280081 0.010981 LBFGSLineSearch: 12 02:05:18 -58.280118 0.006069 LBFGSLineSearch: 13 02:05:19 -58.280134 0.003409 LBFGSLineSearch: 14 02:05:19 -58.280136 0.003134 LBFGSLineSearch: 15 02:05:19 -58.280139 0.001408 LBFGSLineSearch: 16 02:05:19 -58.280140 0.001064 LBFGSLineSearch: 17 02:05:19 -58.280141 0.001445 LBFGSLineSearch: 18 02:05:19 -58.280142 0.001280 LBFGSLineSearch: 19 02:05:19 -58.280143 0.001064 LBFGSLineSearch: 20 02:05:20 -58.280143 0.001834 LBFGSLineSearch: 21 02:05:20 -58.280145 0.000271 LBFGSLineSearch: 22 02:05:20 -58.280145 0.000143 LBFGSLineSearch: 23 02:05:20 -58.280145 0.000142 LBFGSLineSearch: 24 02:05:20 -58.280145 0.000146 LBFGSLineSearch: 25 02:05:21 -58.280145 0.000144 LBFGSLineSearch: 26 02:05:22 -58.280145 0.000045 LBFGSLineSearch: 27 02:05:22 -58.280145 0.000008 Minimization converged after 27 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:27 -58.644789 0.036470 LBFGSLineSearch: 1 02:05:28 -58.645362 0.035469 LBFGSLineSearch: 2 02:05:28 -58.646032 0.039941 LBFGSLineSearch: 3 02:05:28 -58.646570 0.036846 LBFGSLineSearch: 4 02:05:28 -58.646749 0.033089 LBFGSLineSearch: 5 02:05:29 -58.647010 0.021051 LBFGSLineSearch: 6 02:05:29 -58.647285 0.015956 LBFGSLineSearch: 7 02:05:29 -58.647355 0.014505 LBFGSLineSearch: 8 02:05:29 -58.647385 0.012778 LBFGSLineSearch: 9 02:05:29 -58.647422 0.015134 LBFGSLineSearch: 10 02:05:29 -58.647499 0.011855 LBFGSLineSearch: 11 02:05:30 -58.647611 0.010397 LBFGSLineSearch: 12 02:05:30 -58.647628 0.009048 LBFGSLineSearch: 13 02:05:30 -58.647671 0.004811 LBFGSLineSearch: 14 02:05:31 -58.647676 0.006783 LBFGSLineSearch: 15 02:05:31 -58.647689 0.003058 LBFGSLineSearch: 16 02:05:31 -58.647691 0.002777 LBFGSLineSearch: 17 02:05:31 -58.647691 0.002671 LBFGSLineSearch: 18 02:05:32 -58.647699 0.002854 LBFGSLineSearch: 19 02:05:32 -58.647701 0.003161 LBFGSLineSearch: 20 02:05:32 -58.647705 0.001537 LBFGSLineSearch: 21 02:05:32 -58.647708 0.002832 LBFGSLineSearch: 22 02:05:33 -58.647712 0.001086 LBFGSLineSearch: 23 02:05:33 -58.647713 0.001223 LBFGSLineSearch: 24 02:05:33 -58.647714 0.000615 LBFGSLineSearch: 25 02:05:33 -58.647714 0.000583 LBFGSLineSearch: 26 02:05:34 -58.647715 0.000174 LBFGSLineSearch: 27 02:05:34 -58.647715 0.000000 Minimization converged after 27 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 02:05:40 -59.019034 0.037132 LBFGSLineSearch: 1 02:05:41 -59.019646 0.038955 LBFGSLineSearch: 2 02:05:41 -59.020607 0.052427 LBFGSLineSearch: 3 02:05:42 -59.021854 0.069576 LBFGSLineSearch: 4 02:05:42 -59.022425 0.065408 LBFGSLineSearch: 5 02:05:42 -59.024476 0.067188 LBFGSLineSearch: 6 02:05:43 -59.277516 1.763954 LBFGSLineSearch: 7 02:05:43 -59.277618 1.791901 LBFGSLineSearch: 8 02:05:44 -59.587210 3.160313 LBFGSLineSearch: 9 02:05:45 -59.942220 0.864101 LBFGSLineSearch: 10 02:05:46 -60.008910 1.498690 LBFGSLineSearch: 11 02:05:46 -60.147082 1.102009 LBFGSLineSearch: 12 02:05:47 -60.306464 1.130443 LBFGSLineSearch: 13 02:05:48 -60.360365 0.579741 LBFGSLineSearch: 14 02:05:49 -60.389589 1.297902 LBFGSLineSearch: 15 02:05:50 -60.422419 0.893281 LBFGSLineSearch: 16 02:05:51 -60.459859 0.626980 LBFGSLineSearch: 17 02:05:52 -60.518576 0.598345 LBFGSLineSearch: 18 02:05:52 -60.579712 0.555154 LBFGSLineSearch: 19 02:05:52 -60.627234 1.194782 LBFGSLineSearch: 20 02:05:53 -60.656480 0.589669 LBFGSLineSearch: 21 02:05:53 -60.680391 1.586128 LBFGSLineSearch: 22 02:05:53 -60.762803 0.981732 LBFGSLineSearch: 23 02:05:53 -60.890894 1.126858 LBFGSLineSearch: 24 02:05:53 -61.027493 1.966538 LBFGSLineSearch: 25 02:05:54 -61.117339 2.617009 LBFGSLineSearch: 26 02:05:54 -61.253087 0.865169 LBFGSLineSearch: 27 02:05:54 -61.473611 2.539273 LBFGSLineSearch: 28 02:05:54 -61.697418 1.773039 LBFGSLineSearch: 29 02:05:54 -61.917108 1.594185 LBFGSLineSearch: 30 02:05:54 -62.075311 1.149085 LBFGSLineSearch: 31 02:05:55 -62.537965 2.855054 LBFGSLineSearch: 32 02:05:55 -62.980807 2.180237 LBFGSLineSearch: 33 02:05:55 -64.221318 4.948703 LBFGSLineSearch: 34 02:05:55 -64.265610 6.867329 LBFGSLineSearch: 35 02:05:56 -64.334775 6.117952 LBFGSLineSearch: 36 02:05:56 -69.950098 5.687175 Failed to get energy or crystal structure at pressure -16.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')