Model name? LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? 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The crystal structure is specified using the AFLOW prototype designation. Multiple sets of free parameters corresponding to the crystal prototype may be specified as initial guesses for structure optimization. No guarantee is made regarding the stability of computed equilibria, nor that any are the ground state.", "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8" ], "doi": "10.25950/866c7cfa", "domain": "openkim.org", "executables": [ "runner", "test_template/runner" ], "funding": [ { "award-number": "NSF DMR-1834251", "award-title": "Collaborative Research: Reliable Materials Simulation based on the Knowledgebase of Interatomic Models (KIM)", "funder-identifier": "https://doi.org/10.13039/100000001", "funder-identifier-type": "Crossref Funder ID", "funder-name": "National Science Foundation", "scheme-uri": "http://doi.org/" } ], "kim-api-version": "2.3", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "properties": [ "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal", "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt", "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" ], "publication-year": "2025", "simulator-name": "ase", "source-citations": [ { "abstract": "Empirical databases of crystal structures and thermodynamic properties are fundamental tools for materials research. Recent rapid proliferation of computational data on materials properties presents the possibility to complement and extend the databases where the experimental data is lacking or difficult to obtain. Enhanced repositories that integrate both computational and empirical approaches open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various characteristics. The practical realization of these opportunities depends on a systematic compilation and classification of the generated data in addition to an accessible interface for the materials science community. In this paper we present an extensive repository, aflowlib.org, comprising phase-diagrams, electronic structure and magnetic properties, generated by the high-throughput framework AFLOW. This continuously updated compilation currently contains over 150,000 thermodynamic entries for alloys, covering the entire composition range of more than 650 binary systems, 13,000 electronic structure analyses of inorganic compounds, and 50,000 entries for novel potential magnetic and spintronics systems. The repository is available for the scientific community on the website of the materials research consortium, aflowlib.org.", "author": "Curtarolo, Stefano and Setyawan, Wahyu and Wang, Shidong and Xue, Junkai and Yang, Kesong and Taylor, Richard H. and Nelson, Lance J. and Hart, Gus L.W. and Sanvito, Stefano and Buongiorno-Nardelli, Marco and Mingo, Natalio and Levy, Ohad", "doi": "https://doi.org/10.1016/j.commatsci.2012.02.002", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "High-throughput, Combinatorial materials science, Ab initio, AFLOW, Materials genome initiative", "pages": "227-235", "recordkey": "TD_457028483760_003a", "recordtype": "article", "title": "{AFLOWLIB.ORG}: A distributed materials properties repository from high-throughput ab initio calculations", "url": "https://www.sciencedirect.com/science/article/pii/S0927025612000687", "volume": "58", "year": "2012" }, { "abstract": "To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it \u2014 all while considering the diversity of users\u2019 experience levels and usage needs. The recently formulated FAIR\u00a0principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow.org, a web ecosystem developed to provide FAIR-compliant access to the AFLOW\u00a0databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow.org\u00a0goes beyond data-access by providing applications to important features of the AFLOW\u00a0software\u00a0[1], assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW\u00a0tutorials and materials science education to a global and diverse audiences will also be presented.", "author": "Esters, Marco and Oses, Corey and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Hicks, David and Mehl, Michael J. and Rose, Frisco and Smolyanyuk, Andriy and Calzolari, Arrigo and Campilongo, Xiomara and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111808", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "Autonomous materials science, Materials genome initiative, aflow, Computational ecosystems, Online tools, Database, Ab initio", "pages": "111808", "recordkey": "TD_457028483760_003b", "recordtype": "article", "title": "aflow.org: A web ecosystem of databases, software and tools", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622005195", "volume": "216", "year": "2023" }, { "abstract": "The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades, aflow++ (Automatic-Flow Framework for Materials Discovery) has provided an interconnected collection of algorithms and workflows to address this challenge. This article contains an overview of the software and some of its most heavily-used functionalities, including algorithmic details, standards, and examples. Key thrusts are highlighted: the calculation of structural, electronic, thermodynamic, and thermomechanical properties in addition to the modeling of complex materials, such as high-entropy ceramics and bulk metallic glasses. The aflow++ software prioritizes interoperability, minimizing the number of independent parameters and tolerances. It ensures consistency of results across property sets \u2014 facilitating machine learning studies. The software also features various validation schemes, offering real-time quality assurance for data generated in a high-throughput fashion. Altogether, these considerations contribute to the development of large and reliable materials databases that can ultimately deliver future materials systems.", "author": "Oses, Corey and Esters, Marco and Hicks, David and Divilov, Simon and Eckert, Hagen and Friedrich, Rico and Mehl, Michael J. and Smolyanyuk, Andriy and Campilongo, Xiomara and {van de Walle}, Axel and Schroers, Jan and Kusne, A. Gilad and Takeuchi, Ichiro and Zurek, Eva and Nardelli, Marco Buongiorno and Fornari, Marco and Lederer, Yoav and Levy, Ohad and Toher, Cormac and Curtarolo, Stefano", "doi": "https://doi.org/10.1016/j.commatsci.2022.111889", "issn": "0927-0256", "journal": "Computational Materials Science", "keywords": "AFLOW, Autonomous computation, Machine learning, Workflows", "pages": "111889", "recordkey": "TD_457028483760_003c", "recordtype": "article", "title": "aflow++: A {C}++ framework for autonomous materials design", "url": "https://www.sciencedirect.com/science/article/pii/S0927025622006000", "volume": "217", "year": "2023" } ], "title": "Equilibrium structure and energy for a crystal structure at zero temperature and pressure v003", "created_on": "2025-04-22 16:17:53.660578" }, "dependencies": [], "title": "Equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f v003", "test-driver": "EquilibriumCrystalStructure__TD_457028483760_003", "species": [ "C", "Fe" ], "developer": [ "4ad03136-ed7f-4316-b586-1e94ccceb311", "360c0aed-48ce-45f6-ba13-337f12a531e8", "4d62befd-21c4-42b8-a472-86132e6591f3", "c4d2afd1-647e-4347-ae94-5e4772c16883" ], "description": "Computes the equilibrium crystal structure and energy for CFe in AFLOW crystal prototype A2B5_mC28_15_f_e2f at zero temperature and applied stress by performing symmetry-constrained relaxation. The following initial guesses for the parameters (representing cell and internal degrees of freedom) allowed to vary during the relaxation are used:\n1) a (angstrom): 11.8274, b/a: 0.4275665, c/a: 0.44659012, beta: 81.5056, y1: 0.41328487, x2: 0.8837067, y2: 0.70242178, z2: 0.094352322, x3: 0.9035336, y3: 0.93194864, z3: 0.4066338, x4: 0.78565419, y4: 0.39551601, z4: 0.29387664, obtained from OpenKIM Reference Data item RD_908245700773_000\n2) a (angstrom): 12.1357, b/a: 0.40989807, c/a: 0.43385219, beta: 78.1354, y1: 0.58118591, x2: 0.6160505, y2: 0.19947948, z2: 0.90490285, x3: 0.59809401, y3: 0.43498172, z3: 0.59873978, x4: 0.71184084, y4: 0.90265553, z4: 0.69440332, obtained from OpenKIM Reference Data item RD_196807244970_000", "disclaimer": "Computer generated", "contributor-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "maintainer-id": "4ad03136-ed7f-4316-b586-1e94ccceb311", "kim-api-version": "2.3", "publication-year": "2025", "executables": [ "runner" ], "domain": "openkim.org", "matching-models": [ "standard-models" ], "created_on": "2025-04-22 16:18:03.246727" }, "subject": { "extended-id": "LJ_ElliottAkerson_2015_Universal__MO_959249795837_003", "short-id": "MO_959249795837_003", "kimid-prefix": "LJ_ElliottAkerson_2015_Universal", "kimid-typecode": "mo", "kimid-number": "959249795837", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "LJ_ElliottAkerson_2015_Universal", "type": "mo", "kimnum": "959249795837", "version": 3, "shortcode": "MO_959249795837", "kimcode": "LJ_ElliottAkerson_2015_Universal__MO_959249795837_003", "path": "mo/LJ_ElliottAkerson_2015_Universal__MO_959249795837_003", "approved": true, "_id": "LJ_ElliottAkerson_2015_Universal__MO_959249795837_003", "makeable": true, "subject": true, "driver": { "extended-id": "LJ__MD_414112407348_003", "short-id": "MD_414112407348_003", "kimid-prefix": "LJ", "kimid-typecode": "md", "kimid-number": "414112407348", "kimid-version": "003", "kimid-version-as-integer": 3, "name": "LJ", "type": "md", "kimnum": "414112407348", "version": 3, "shortcode": "MD_414112407348", "kimcode": "LJ__MD_414112407348_003", "path": "md/LJ__MD_414112407348_003", "approved": true, "_id": "LJ__MD_414112407348_003", "makeable": true, "driver": true, "contributor-id": "b645a915-d1fa-4155-a3da-65469f990011", "description": "This is a driver, tuned for efficiency, for the Lennard-Jones (LJ) 6-12 pair potential model. It supports the option to be truncated to have zero energy above a specified cutoff radius or shifted to have a continuous energy at the cutoff radius. The driver is capable of supporting multiple species interactions. If only \"like-like\" interactions are specified then the driver use the Lorentz-Berthelot mixing rules to generate the unlike interaction parameters. See the README file for details. Version 002 fixes the unit conversion for the cutoffs and sigma values.", "developer": [ "eb124224-7e88-4582-ac67-15d48347bbba" ], "doi": "10.25950/ac258694", "domain": "openkim.org", "executables": [ "CreateDispatch.sh" ], "implementer": [ "b645a915-d1fa-4155-a3da-65469f990011" ], "kim-api-version": "2.0", "maintainer-id": "b645a915-d1fa-4155-a3da-65469f990011", "publication-year": "2018", "source-citations": [ { "author": "J. E. Jones", "doi": "10.1098/rspa.1924.0081", "journal": "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences", "number": "738", "pages": "441--462", "publisher": "The Royal Society", "recordkey": "MD_414112407348_003a", "recordtype": "article", "title": "On the Determination of Molecular Fields. {I}. {F}rom the Variation of the Viscosity of a Gas with Temperature", "volume": "106", "year": "1924" }, { "author": "J. E. Jones", "doi": "10.1098/rspa.1924.0082", "journal": "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences", "number": "738", "pages": "463--477", "publisher": "The Royal Society", "recordkey": "MD_414112407348_003b", "recordtype": "article", "title": "On the Determination of Molecular Fields. {II}. {F}rom the Equation of State of a Gas", "volume": "106", "year": "1924" }, { "author": "J. E. Lennard-Jones", "doi": "10.1098/rspa.1925.0147", "journal": "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences", "number": "752", "pages": "584--497", "publisher": "The Royal Society", "recordkey": "MD_414112407348_003c", "recordtype": "article", "title": "On the Forces between Atoms and Ions", "volume": "109", "year": "1925" } ], "title": "Efficient multi-species Lennard-Jones model with truncated or shifted cutoff v003", "created_on": "2023-11-10 21:03:37.431754" }, "contributor-id": "b645a915-d1fa-4155-a3da-65469f990011", "description": "This is a 'universal' parameterization for the LennardJones612 model driver for all species types supported by the KIM API. The parameterization uses a shifted cutoff so that all interactions have a continuous energy function at the cutoff radius. See the README and params files for more details.", "developer": [ "eb124224-7e88-4582-ac67-15d48347bbba" ], "disclaimer": "This model was automatically fit using Lorentz-Berthelot mixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown.", "doi": "10.25950/962b4967", "domain": "openkim.org", "kim-api-version": "2.0", "maintainer-id": "b645a915-d1fa-4155-a3da-65469f990011", "model-driver": "LJ__MD_414112407348_003", "potential-type": "lj", "publication-year": "2018", "source-citations": [ { "author": "J. E. Jones", "doi": "10.1098/rspa.1924.0081", "journal": "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences", "number": "738", "pages": "441--462", "publisher": "The Royal Society", "recordkey": "MO_959249795837_003a", "recordtype": "article", "title": "On the Determination of Molecular Fields. {I}. {F}rom the Variation of the Viscosity of a Gas with Temperature", "volume": "106", "year": "1924" }, { "author": "J. E. Jones", "doi": "10.1098/rspa.1924.0082", "journal": "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences", "number": "738", "pages": "463--477", "publisher": "The Royal Society", "recordkey": "MO_959249795837_003b", "recordtype": "article", "title": "On the Determination of Molecular Fields. {II}. {F}rom the Equation of State of a Gas", "volume": "106", "year": "1924" }, { "author": "J. E. Lennard-Jones", "doi": "10.1098/rspa.1925.0147", "journal": "Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences", "number": "752", "pages": "584--497", "publisher": "The Royal Society", "recordkey": "MO_959249795837_003c", "recordtype": "article", "title": "On the Forces between Atoms and Ions", "volume": "109", "year": "1925" } ], "species": [ "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og", "electron", "user01", "user02", "user03", "user04", "user05", "user06", "user07", "user08", "user09", "user10", "user11", "user12", "user13", "user14", "user15", "user16", "user17", "user18", "user19", "user20" ], "title": "Efficient 'universal' shifted Lennard-Jones model for all KIM API supported species developed by Elliott and Akerson (2015) v003", "created_on": "2023-10-07 14:04:26.536114" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "model": "LJ_ElliottAkerson_2015_Universal__MO_959249795837_003", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-MO_959249795837_003-1750699546-tr", "created_on": "2025-06-23 18:33:26.693973", "dependencies": [] }, "created_on": "2025-06-23 18:33:26.693973", "inserted_on": "2025-06-23 18:33:50.286205", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0007156027471768699 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 14:15:05 -188.617606 0.028679 LBFGSLineSearch: 1 14:15:08 -188.617657 0.009360 LBFGSLineSearch: 2 14:15:12 -188.617658 0.003352 LBFGSLineSearch: 3 14:15:17 -188.617659 0.001626 LBFGSLineSearch: 4 14:15:20 -188.617659 0.001035 LBFGSLineSearch: 5 14:15:23 -188.617659 0.001018 LBFGSLineSearch: 6 14:15:25 -188.617659 0.000681 LBFGSLineSearch: 7 14:15:29 -188.617659 0.000719 LBFGSLineSearch: 8 14:15:33 -188.617659 0.000688 LBFGSLineSearch: 9 14:15:37 -188.617659 0.001325 LBFGSLineSearch: 10 14:15:40 -188.617659 0.001104 LBFGSLineSearch: 11 14:15:43 -188.617659 0.000437 LBFGSLineSearch: 12 14:15:48 -188.617659 0.000092 LBFGSLineSearch: 13 14:15:52 -188.617659 0.000070 LBFGSLineSearch: 14 14:15:56 -188.617659 0.000019 LBFGSLineSearch: 15 14:16:00 -188.617659 0.000003 Minimization converged after 15 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:16:09 -188.568620 0.003503 LBFGSLineSearch: 1 14:16:14 -188.568621 0.000677 LBFGSLineSearch: 2 14:16:18 -188.568621 0.000363 LBFGSLineSearch: 3 14:16:21 -188.568621 0.000168 LBFGSLineSearch: 4 14:16:25 -188.568621 0.000138 LBFGSLineSearch: 5 14:16:30 -188.568621 0.000112 LBFGSLineSearch: 6 14:16:34 -188.568621 0.000085 LBFGSLineSearch: 7 14:16:38 -188.568621 0.000074 LBFGSLineSearch: 8 14:16:42 -188.568621 0.000096 LBFGSLineSearch: 9 14:16:45 -188.568621 0.000107 LBFGSLineSearch: 10 14:16:48 -188.568621 0.000033 LBFGSLineSearch: 11 14:16:52 -188.568621 0.000014 LBFGSLineSearch: 12 14:16:56 -188.568621 0.000011 LBFGSLineSearch: 13 14:17:00 -188.568621 0.000006 Minimization converged after 13 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:17:09 -188.513579 0.003934 LBFGSLineSearch: 1 14:17:13 -188.513580 0.000787 LBFGSLineSearch: 2 14:17:17 -188.513580 0.000408 LBFGSLineSearch: 3 14:17:21 -188.513580 0.000187 LBFGSLineSearch: 4 14:17:26 -188.513580 0.000156 LBFGSLineSearch: 5 14:17:28 -188.513580 0.000126 LBFGSLineSearch: 6 14:17:32 -188.513580 0.000096 LBFGSLineSearch: 7 14:17:37 -188.513580 0.000086 LBFGSLineSearch: 8 14:17:42 -188.513580 0.000110 LBFGSLineSearch: 9 14:17:45 -188.513580 0.000101 LBFGSLineSearch: 10 14:17:48 -188.513580 0.000108 LBFGSLineSearch: 11 14:17:54 -188.513580 0.000014 LBFGSLineSearch: 12 14:17:58 -188.513580 0.000010 LBFGSLineSearch: 13 14:18:02 -188.513580 0.000007 Minimization converged after 13 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:18:11 -188.451799 0.004418 LBFGSLineSearch: 1 14:18:15 -188.451800 0.000876 LBFGSLineSearch: 2 14:18:18 -188.451800 0.000459 LBFGSLineSearch: 3 14:18:21 -188.451800 0.000209 LBFGSLineSearch: 4 14:18:26 -188.451800 0.000176 LBFGSLineSearch: 5 14:18:30 -188.451800 0.000142 LBFGSLineSearch: 6 14:18:34 -188.451800 0.000107 LBFGSLineSearch: 7 14:18:37 -188.451800 0.000096 LBFGSLineSearch: 8 14:18:41 -188.451800 0.000128 LBFGSLineSearch: 9 14:18:45 -188.451800 0.000108 LBFGSLineSearch: 10 14:18:49 -188.451800 0.000104 LBFGSLineSearch: 11 14:18:54 -188.451800 0.000014 LBFGSLineSearch: 12 14:18:58 -188.451800 0.000009 Minimization converged after 12 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:19:07 -188.382456 0.004962 LBFGSLineSearch: 1 14:19:11 -188.382458 0.000944 LBFGSLineSearch: 2 14:19:15 -188.382458 0.000511 LBFGSLineSearch: 3 14:19:20 -188.382458 0.000236 LBFGSLineSearch: 4 14:19:25 -188.382458 0.000196 LBFGSLineSearch: 5 14:19:29 -188.382458 0.000160 LBFGSLineSearch: 6 14:19:34 -188.382458 0.000121 LBFGSLineSearch: 7 14:19:39 -188.382458 0.000105 LBFGSLineSearch: 8 14:19:44 -188.382458 0.000134 LBFGSLineSearch: 9 14:19:47 -188.382458 0.000119 LBFGSLineSearch: 10 14:19:51 -188.382458 0.000084 LBFGSLineSearch: 11 14:19:54 -188.382458 0.000016 LBFGSLineSearch: 12 14:19:59 -188.382458 0.000006 Minimization converged after 12 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:20:10 -188.304626 0.005565 LBFGSLineSearch: 1 14:20:14 -188.304628 0.001058 LBFGSLineSearch: 2 14:20:18 -188.304628 0.000573 LBFGSLineSearch: 3 14:20:23 -188.304628 0.000266 LBFGSLineSearch: 4 14:20:28 -188.304628 0.000219 LBFGSLineSearch: 5 14:20:33 -188.304628 0.000179 LBFGSLineSearch: 6 14:20:38 -188.304628 0.000135 LBFGSLineSearch: 7 14:20:43 -188.304628 0.000117 LBFGSLineSearch: 8 14:20:47 -188.304628 0.000151 LBFGSLineSearch: 9 14:20:52 -188.304628 0.000231 LBFGSLineSearch: 10 14:20:55 -188.304628 0.000145 LBFGSLineSearch: 11 14:21:00 -188.304628 0.000016 LBFGSLineSearch: 12 14:21:06 -188.304628 0.000011 LBFGSLineSearch: 13 14:21:10 -188.304628 0.000008 Minimization converged after 13 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:21:20 -188.217269 0.006247 LBFGSLineSearch: 1 14:21:25 -188.217271 0.001205 LBFGSLineSearch: 2 14:21:30 -188.217271 0.000648 LBFGSLineSearch: 3 14:21:36 -188.217271 0.000296 LBFGSLineSearch: 4 14:21:42 -188.217271 0.000246 LBFGSLineSearch: 5 14:21:46 -188.217271 0.000199 LBFGSLineSearch: 6 14:21:51 -188.217271 0.000151 LBFGSLineSearch: 7 14:21:55 -188.217271 0.000219 LBFGSLineSearch: 8 14:21:59 -188.217271 0.000132 LBFGSLineSearch: 9 14:22:03 -188.217271 0.000278 LBFGSLineSearch: 10 14:22:06 -188.217271 0.000081 LBFGSLineSearch: 11 14:22:09 -188.217271 0.000038 LBFGSLineSearch: 12 14:22:14 -188.217271 0.000012 LBFGSLineSearch: 13 14:22:18 -188.217271 0.000014 LBFGSLineSearch: 14 14:22:23 -188.217271 0.000007 Minimization converged after 14 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:22:34 -188.119220 0.007004 LBFGSLineSearch: 1 14:22:41 -188.119223 0.001323 LBFGSLineSearch: 2 14:22:47 -188.119223 0.000723 LBFGSLineSearch: 3 14:22:52 -188.119223 0.000335 LBFGSLineSearch: 4 14:22:56 -188.119223 0.000276 LBFGSLineSearch: 5 14:23:02 -188.119223 0.000225 LBFGSLineSearch: 6 14:23:08 -188.119223 0.000172 LBFGSLineSearch: 7 14:23:11 -188.119223 0.000203 LBFGSLineSearch: 8 14:23:16 -188.119223 0.000176 LBFGSLineSearch: 9 14:23:20 -188.119223 0.000210 LBFGSLineSearch: 10 14:23:24 -188.119223 0.000078 LBFGSLineSearch: 11 14:23:27 -188.119223 0.000047 LBFGSLineSearch: 12 14:23:32 -188.119223 0.000020 LBFGSLineSearch: 13 14:23:36 -188.119223 0.000022 LBFGSLineSearch: 14 14:23:41 -188.119223 0.000008 Minimization converged after 14 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:23:49 -188.009171 0.007862 LBFGSLineSearch: 1 14:23:55 -188.009175 0.001485 LBFGSLineSearch: 2 14:24:00 -188.009175 0.000811 LBFGSLineSearch: 3 14:24:04 -188.009175 0.000375 LBFGSLineSearch: 4 14:24:09 -188.009175 0.000310 LBFGSLineSearch: 5 14:24:13 -188.009175 0.000252 LBFGSLineSearch: 6 14:24:17 -188.009175 0.000193 LBFGSLineSearch: 7 14:24:21 -188.009175 0.000188 LBFGSLineSearch: 8 14:24:26 -188.009175 0.000217 LBFGSLineSearch: 9 14:24:31 -188.009175 0.000339 LBFGSLineSearch: 10 14:24:35 -188.009175 0.000086 LBFGSLineSearch: 11 14:24:40 -188.009175 0.000031 LBFGSLineSearch: 12 14:24:46 -188.009175 0.000023 LBFGSLineSearch: 13 14:24:50 -188.009175 0.000013 LBFGSLineSearch: 14 14:24:54 -188.009175 0.000001 Minimization converged after 14 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:25:03 -187.885655 0.008823 LBFGSLineSearch: 1 14:25:08 -187.885660 0.001698 LBFGSLineSearch: 2 14:25:13 -187.885660 0.000910 LBFGSLineSearch: 3 14:25:17 -187.885660 0.000421 LBFGSLineSearch: 4 14:25:23 -187.885660 0.000347 LBFGSLineSearch: 5 14:25:29 -187.885660 0.000282 LBFGSLineSearch: 6 14:25:34 -187.885660 0.000214 LBFGSLineSearch: 7 14:25:37 -187.885660 0.000189 LBFGSLineSearch: 8 14:25:39 -187.885660 0.000334 LBFGSLineSearch: 9 14:25:44 -187.885660 0.000413 LBFGSLineSearch: 10 14:25:47 -187.885660 0.000162 LBFGSLineSearch: 11 14:25:53 -187.885660 0.000036 LBFGSLineSearch: 12 14:25:57 -187.885660 0.000027 LBFGSLineSearch: 13 14:26:02 -187.885660 0.000019 LBFGSLineSearch: 14 14:26:06 -187.885660 0.000001 Minimization converged after 14 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:26:15 -187.747025 0.009903 LBFGSLineSearch: 1 14:26:19 -187.747031 0.001898 LBFGSLineSearch: 2 14:26:25 -187.747031 0.001021 LBFGSLineSearch: 3 14:26:30 -187.747031 0.000472 LBFGSLineSearch: 4 14:26:33 -187.747031 0.000389 LBFGSLineSearch: 5 14:26:36 -187.747031 0.000317 LBFGSLineSearch: 6 14:26:41 -187.747031 0.000241 LBFGSLineSearch: 7 14:26:45 -187.747031 0.000201 LBFGSLineSearch: 8 14:26:48 -187.747031 0.000242 LBFGSLineSearch: 9 14:26:53 -187.747031 0.000379 LBFGSLineSearch: 10 14:26:57 -187.747031 0.000193 LBFGSLineSearch: 11 14:27:02 -187.747031 0.000042 LBFGSLineSearch: 12 14:27:07 -187.747031 0.000031 LBFGSLineSearch: 13 14:27:12 -187.747031 0.000017 LBFGSLineSearch: 14 14:27:19 -187.747031 0.000002 Minimization converged after 14 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:27:28 -187.591433 0.011115 LBFGSLineSearch: 1 14:27:33 -187.591441 0.002139 LBFGSLineSearch: 2 14:27:37 -187.591441 0.001145 LBFGSLineSearch: 3 14:27:42 -187.591441 0.000530 LBFGSLineSearch: 4 14:27:47 -187.591441 0.000437 LBFGSLineSearch: 5 14:27:50 -187.591441 0.000355 LBFGSLineSearch: 6 14:27:55 -187.591441 0.000270 LBFGSLineSearch: 7 14:27:57 -187.591441 0.000217 LBFGSLineSearch: 8 14:28:00 -187.591441 0.000262 LBFGSLineSearch: 9 14:28:05 -187.591441 0.000422 LBFGSLineSearch: 10 14:28:07 -187.591441 0.000247 LBFGSLineSearch: 11 14:28:12 -187.591441 0.000045 LBFGSLineSearch: 12 14:28:17 -187.591441 0.000036 LBFGSLineSearch: 13 14:28:22 -187.591441 0.000028 LBFGSLineSearch: 14 14:28:26 -187.591441 0.000005 Minimization converged after 14 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:28:35 -187.416805 0.012476 LBFGSLineSearch: 1 14:28:40 -187.416815 0.002386 LBFGSLineSearch: 2 14:28:46 -187.416815 0.001285 LBFGSLineSearch: 3 14:28:50 -187.416816 0.000594 LBFGSLineSearch: 4 14:28:55 -187.416816 0.000490 LBFGSLineSearch: 5 14:29:02 -187.416816 0.000398 LBFGSLineSearch: 6 14:29:07 -187.416816 0.000303 LBFGSLineSearch: 7 14:29:11 -187.416816 0.000240 LBFGSLineSearch: 8 14:29:14 -187.416816 0.000278 LBFGSLineSearch: 9 14:29:19 -187.416816 0.000484 LBFGSLineSearch: 10 14:29:23 -187.416816 0.000274 LBFGSLineSearch: 11 14:29:28 -187.416816 0.000083 LBFGSLineSearch: 12 14:29:34 -187.416816 0.000040 LBFGSLineSearch: 13 14:29:38 -187.416816 0.000033 LBFGSLineSearch: 14 14:29:44 -187.416816 0.000011 LBFGSLineSearch: 15 14:29:48 -187.416816 0.000002 Minimization converged after 15 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:29:56 -187.220817 0.014000 LBFGSLineSearch: 1 14:30:00 -187.220829 0.002684 LBFGSLineSearch: 2 14:30:05 -187.220829 0.003588 LBFGSLineSearch: 3 14:30:10 -187.220830 0.003288 LBFGSLineSearch: 4 14:30:14 -187.220830 0.002879 LBFGSLineSearch: 5 14:30:17 -187.220830 0.001841 LBFGSLineSearch: 6 14:30:20 -187.220830 0.001255 LBFGSLineSearch: 7 14:30:22 -187.220830 0.001078 LBFGSLineSearch: 8 14:30:25 -187.220830 0.001743 LBFGSLineSearch: 9 14:30:28 -187.220830 0.000692 LBFGSLineSearch: 10 14:30:32 -187.220830 0.002063 LBFGSLineSearch: 11 14:30:37 -187.220830 0.001931 LBFGSLineSearch: 12 14:30:41 -187.220831 0.001736 LBFGSLineSearch: 13 14:30:46 -187.220831 0.000804 LBFGSLineSearch: 14 14:30:49 -187.220831 0.000692 LBFGSLineSearch: 15 14:30:53 -187.220831 0.000654 LBFGSLineSearch: 16 14:30:56 -187.220831 0.000422 LBFGSLineSearch: 17 14:30:59 -187.220831 0.000362 LBFGSLineSearch: 18 14:31:03 -187.220831 0.000628 LBFGSLineSearch: 19 14:31:06 -187.220831 0.000307 LBFGSLineSearch: 20 14:31:10 -187.220831 0.000209 LBFGSLineSearch: 21 14:31:14 -187.220831 0.000104 LBFGSLineSearch: 22 14:31:19 -187.220831 0.000010 Minimization converged after 22 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:31:27 -187.000863 0.015711 LBFGSLineSearch: 1 14:31:32 -187.000878 0.003034 LBFGSLineSearch: 2 14:31:37 -187.000879 0.001615 LBFGSLineSearch: 3 14:31:40 -187.000879 0.000749 LBFGSLineSearch: 4 14:31:45 -187.000879 0.000614 LBFGSLineSearch: 5 14:31:49 -187.000879 0.000502 LBFGSLineSearch: 6 14:31:53 -187.000879 0.000375 LBFGSLineSearch: 7 14:31:55 -187.000879 0.000306 LBFGSLineSearch: 8 14:31:58 -187.000879 0.000347 LBFGSLineSearch: 9 14:32:02 -187.000879 0.000581 LBFGSLineSearch: 10 14:32:07 -187.000879 0.000732 LBFGSLineSearch: 11 14:32:10 -187.000879 0.000208 LBFGSLineSearch: 12 14:32:15 -187.000879 0.000052 LBFGSLineSearch: 13 14:32:20 -187.000879 0.000050 LBFGSLineSearch: 14 14:32:25 -187.000879 0.000034 LBFGSLineSearch: 15 14:32:29 -187.000879 0.000001 Minimization converged after 15 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:32:38 -186.754009 0.017634 LBFGSLineSearch: 1 14:32:43 -186.754029 0.003377 LBFGSLineSearch: 2 14:32:49 -186.754029 0.001811 LBFGSLineSearch: 3 14:32:53 -186.754029 0.000838 LBFGSLineSearch: 4 14:32:58 -186.754029 0.000691 LBFGSLineSearch: 5 14:33:02 -186.754029 0.000664 LBFGSLineSearch: 6 14:33:07 -186.754029 0.000424 LBFGSLineSearch: 7 14:33:10 -186.754029 0.000393 LBFGSLineSearch: 8 14:33:15 -186.754029 0.000419 LBFGSLineSearch: 9 14:33:19 -186.754029 0.000728 LBFGSLineSearch: 10 14:33:23 -186.754029 0.000397 LBFGSLineSearch: 11 14:33:26 -186.754029 0.000179 LBFGSLineSearch: 12 14:33:30 -186.754029 0.000060 LBFGSLineSearch: 13 14:33:33 -186.754029 0.000054 LBFGSLineSearch: 14 14:33:37 -186.754029 0.000031 LBFGSLineSearch: 15 14:33:41 -186.754029 0.000002 Minimization converged after 15 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:33:50 -186.476973 0.019790 LBFGSLineSearch: 1 14:33:54 -186.476997 0.003789 LBFGSLineSearch: 2 14:33:59 -186.476998 0.002032 LBFGSLineSearch: 3 14:34:03 -186.476998 0.000940 LBFGSLineSearch: 4 14:34:08 -186.476998 0.000776 LBFGSLineSearch: 5 14:34:12 -186.476998 0.000623 LBFGSLineSearch: 6 14:34:15 -186.476998 0.000814 LBFGSLineSearch: 7 14:34:18 -186.476998 0.000444 LBFGSLineSearch: 8 14:34:23 -186.476998 0.000648 LBFGSLineSearch: 9 14:34:28 -186.476998 0.000702 LBFGSLineSearch: 10 14:34:31 -186.476998 0.000357 LBFGSLineSearch: 11 14:34:34 -186.476998 0.000203 LBFGSLineSearch: 12 14:34:39 -186.476998 0.000067 LBFGSLineSearch: 13 14:34:44 -186.476998 0.000060 LBFGSLineSearch: 14 14:34:48 -186.476998 0.000035 LBFGSLineSearch: 15 14:34:53 -186.476998 0.000003 Minimization converged after 15 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:35:02 -186.166069 0.022210 LBFGSLineSearch: 1 14:35:05 -186.166101 0.004247 LBFGSLineSearch: 2 14:35:10 -186.166102 0.002301 LBFGSLineSearch: 3 14:35:15 -186.166102 0.001781 LBFGSLineSearch: 4 14:35:17 -186.166102 0.001731 LBFGSLineSearch: 5 14:35:19 -186.166102 0.001482 LBFGSLineSearch: 6 14:35:23 -186.166102 0.002089 LBFGSLineSearch: 7 14:35:27 -186.166102 0.000814 LBFGSLineSearch: 8 14:35:31 -186.166102 0.001889 LBFGSLineSearch: 9 14:35:35 -186.166103 0.001695 LBFGSLineSearch: 10 14:35:39 -186.166103 0.000985 LBFGSLineSearch: 11 14:35:43 -186.166103 0.001009 LBFGSLineSearch: 12 14:35:46 -186.166103 0.001169 LBFGSLineSearch: 13 14:35:51 -186.166103 0.000420 LBFGSLineSearch: 14 14:35:55 -186.166103 0.000115 LBFGSLineSearch: 15 14:35:58 -186.166103 0.000082 LBFGSLineSearch: 16 14:36:01 -186.166103 0.000048 LBFGSLineSearch: 17 14:36:04 -186.166103 0.000001 Minimization converged after 17 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:36:14 -185.817171 0.024923 LBFGSLineSearch: 1 14:36:18 -185.817211 0.003917 LBFGSLineSearch: 2 14:36:23 -185.817211 0.002586 LBFGSLineSearch: 3 14:36:28 -185.817211 0.001339 LBFGSLineSearch: 4 14:36:32 -185.817211 0.000557 LBFGSLineSearch: 5 14:36:35 -185.817211 0.000810 LBFGSLineSearch: 6 14:36:39 -185.817211 0.000371 LBFGSLineSearch: 7 14:36:43 -185.817211 0.000577 LBFGSLineSearch: 8 14:36:48 -185.817211 0.000266 LBFGSLineSearch: 9 14:36:52 -185.817211 0.000260 LBFGSLineSearch: 10 14:36:55 -185.817211 0.000238 LBFGSLineSearch: 11 14:36:59 -185.817211 0.000278 LBFGSLineSearch: 12 14:37:04 -185.817211 0.000226 LBFGSLineSearch: 13 14:37:08 -185.817211 0.000157 LBFGSLineSearch: 14 14:37:11 -185.817211 0.000117 LBFGSLineSearch: 15 14:37:15 -185.817211 0.000111 LBFGSLineSearch: 16 14:37:20 -185.817211 0.000018 LBFGSLineSearch: 17 14:37:24 -185.817211 0.000002 Minimization converged after 17 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:37:33 -185.425641 0.027970 LBFGSLineSearch: 1 14:37:37 -185.425690 0.005344 LBFGSLineSearch: 2 14:37:40 -185.425691 0.002859 LBFGSLineSearch: 3 14:37:45 -185.425691 0.001324 LBFGSLineSearch: 4 14:37:50 -185.425691 0.001095 LBFGSLineSearch: 5 14:37:54 -185.425691 0.000922 LBFGSLineSearch: 6 14:37:57 -185.425691 0.000974 LBFGSLineSearch: 7 14:38:01 -185.425691 0.000766 LBFGSLineSearch: 8 14:38:05 -185.425691 0.000785 LBFGSLineSearch: 9 14:38:10 -185.425691 0.001747 LBFGSLineSearch: 10 14:38:14 -185.425691 0.000746 LBFGSLineSearch: 11 14:38:16 -185.425691 0.000145 LBFGSLineSearch: 12 14:38:19 -185.425691 0.000095 LBFGSLineSearch: 13 14:38:24 -185.425691 0.000073 LBFGSLineSearch: 14 14:38:29 -185.425691 0.000014 LBFGSLineSearch: 15 14:38:34 -185.425691 0.000003 Minimization converged after 15 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:38:44 -184.986281 0.031387 LBFGSLineSearch: 1 14:38:50 -184.986343 0.005989 LBFGSLineSearch: 2 14:38:56 -184.986344 0.003204 LBFGSLineSearch: 3 14:39:01 -184.986344 0.001484 LBFGSLineSearch: 4 14:39:06 -184.986344 0.001227 LBFGSLineSearch: 5 14:39:10 -184.986344 0.001049 LBFGSLineSearch: 6 14:39:13 -184.986344 0.001095 LBFGSLineSearch: 7 14:39:18 -184.986344 0.000902 LBFGSLineSearch: 8 14:39:23 -184.986345 0.000873 LBFGSLineSearch: 9 14:39:29 -184.986345 0.002010 LBFGSLineSearch: 10 14:39:33 -184.986345 0.000872 LBFGSLineSearch: 11 14:39:38 -184.986345 0.000181 LBFGSLineSearch: 12 14:39:43 -184.986345 0.000108 LBFGSLineSearch: 13 14:39:48 -184.986345 0.000090 LBFGSLineSearch: 14 14:39:53 -184.986345 0.000024 LBFGSLineSearch: 15 14:39:59 -184.986345 0.000004 Minimization converged after 15 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:40:08 -184.493266 0.035221 LBFGSLineSearch: 1 14:40:11 -184.493344 0.006710 LBFGSLineSearch: 2 14:40:15 -184.493345 0.003590 LBFGSLineSearch: 3 14:40:22 -184.493345 0.001663 LBFGSLineSearch: 4 14:40:28 -184.493345 0.001376 LBFGSLineSearch: 5 14:40:31 -184.493345 0.001176 LBFGSLineSearch: 6 14:40:35 -184.493345 0.001233 LBFGSLineSearch: 7 14:40:42 -184.493345 0.001012 LBFGSLineSearch: 8 14:40:49 -184.493345 0.000984 LBFGSLineSearch: 9 14:40:55 -184.493346 0.002253 LBFGSLineSearch: 10 14:40:59 -184.493346 0.000977 LBFGSLineSearch: 11 14:41:04 -184.493346 0.000203 LBFGSLineSearch: 12 14:41:09 -184.493346 0.000122 LBFGSLineSearch: 13 14:41:13 -184.493346 0.000102 LBFGSLineSearch: 14 14:41:18 -184.493346 0.000026 LBFGSLineSearch: 15 14:41:23 -184.493346 0.000005 Minimization converged after 15 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:41:32 -183.940062 0.039522 LBFGSLineSearch: 1 14:41:35 -183.940162 0.007213 LBFGSLineSearch: 2 14:41:39 -183.940164 0.004317 LBFGSLineSearch: 3 14:41:42 -183.940164 0.002064 LBFGSLineSearch: 4 14:41:45 -183.940164 0.001796 LBFGSLineSearch: 5 14:41:46 -183.940164 0.001213 LBFGSLineSearch: 6 14:41:49 -183.940164 0.001603 LBFGSLineSearch: 7 14:41:52 -183.940165 0.000798 LBFGSLineSearch: 8 14:41:55 -183.940165 0.000971 LBFGSLineSearch: 9 14:42:01 -183.940165 0.001277 LBFGSLineSearch: 10 14:42:07 -183.940165 0.001998 LBFGSLineSearch: 11 14:42:13 -183.940165 0.000709 LBFGSLineSearch: 12 14:42:16 -183.940165 0.000501 LBFGSLineSearch: 13 14:42:24 -183.940165 0.000787 LBFGSLineSearch: 14 14:42:30 -183.940165 0.000271 LBFGSLineSearch: 15 14:42:36 -183.940165 0.000154 LBFGSLineSearch: 16 14:42:42 -183.940165 0.000149 LBFGSLineSearch: 17 14:42:46 -183.940165 0.000013 LBFGSLineSearch: 18 14:42:51 -183.940165 0.000001 Minimization converged after 18 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:43:00 -183.319354 0.044344 LBFGSLineSearch: 1 14:43:05 -183.319476 0.008421 LBFGSLineSearch: 2 14:43:11 -183.319478 0.004501 LBFGSLineSearch: 3 14:43:17 -183.319478 0.002087 LBFGSLineSearch: 4 14:43:22 -183.319478 0.001730 LBFGSLineSearch: 5 14:43:25 -183.319478 0.001476 LBFGSLineSearch: 6 14:43:29 -183.319479 0.001566 LBFGSLineSearch: 7 14:43:33 -183.319479 0.001274 LBFGSLineSearch: 8 14:43:38 -183.319479 0.001248 LBFGSLineSearch: 9 14:43:43 -183.319479 0.002833 LBFGSLineSearch: 10 14:43:47 -183.319479 0.001228 LBFGSLineSearch: 11 14:43:51 -183.319480 0.000254 LBFGSLineSearch: 12 14:43:57 -183.319480 0.000157 LBFGSLineSearch: 13 14:44:02 -183.319480 0.000131 LBFGSLineSearch: 14 14:44:07 -183.319480 0.000032 LBFGSLineSearch: 15 14:44:11 -183.319480 0.000005 Minimization converged after 15 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:44:19 -182.622924 0.049755 LBFGSLineSearch: 1 14:44:23 -182.623078 0.009433 LBFGSLineSearch: 2 14:44:29 -182.623080 0.005039 LBFGSLineSearch: 3 14:44:34 -182.623080 0.002336 LBFGSLineSearch: 4 14:44:39 -182.623080 0.001939 LBFGSLineSearch: 5 14:44:43 -182.623080 0.001655 LBFGSLineSearch: 6 14:44:45 -182.623081 0.001761 LBFGSLineSearch: 7 14:44:48 -182.623081 0.001428 LBFGSLineSearch: 8 14:44:51 -182.623081 0.001406 LBFGSLineSearch: 9 14:44:55 -182.623081 0.003174 LBFGSLineSearch: 10 14:44:59 -182.623082 0.001364 LBFGSLineSearch: 11 14:45:02 -182.623082 0.000285 LBFGSLineSearch: 12 14:45:06 -182.623082 0.000177 LBFGSLineSearch: 13 14:45:11 -182.623082 0.000148 LBFGSLineSearch: 14 14:45:14 -182.623082 0.000085 LBFGSLineSearch: 15 14:45:18 -182.623082 0.000007 Minimization converged after 15 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:45:26 -181.841578 0.055823 LBFGSLineSearch: 1 14:45:29 -181.841771 0.010561 LBFGSLineSearch: 2 14:45:34 -181.841774 0.005698 LBFGSLineSearch: 3 14:45:39 -181.841774 0.002673 LBFGSLineSearch: 4 14:45:44 -181.841774 0.002298 LBFGSLineSearch: 5 14:45:48 -181.841775 0.001653 LBFGSLineSearch: 6 14:45:53 -181.841775 0.002103 LBFGSLineSearch: 7 14:45:58 -181.841775 0.001273 LBFGSLineSearch: 8 14:46:05 -181.841775 0.001598 LBFGSLineSearch: 9 14:46:12 -181.841776 0.003270 LBFGSLineSearch: 10 14:46:17 -181.841776 0.002104 LBFGSLineSearch: 11 14:46:20 -181.841776 0.001514 LBFGSLineSearch: 12 14:46:26 -181.841776 0.001208 LBFGSLineSearch: 13 14:46:30 -181.841776 0.000691 LBFGSLineSearch: 14 14:46:33 -181.841777 0.000206 LBFGSLineSearch: 15 14:46:37 -181.841777 0.000171 LBFGSLineSearch: 16 14:46:41 -181.841777 0.000154 LBFGSLineSearch: 17 14:46:46 -181.841777 0.000014 LBFGSLineSearch: 18 14:46:50 -181.841777 0.000002 Minimization converged after 18 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:46:58 -180.965018 0.062627 LBFGSLineSearch: 1 14:47:04 -180.965260 0.011815 LBFGSLineSearch: 2 14:47:11 -180.965263 0.006647 LBFGSLineSearch: 3 14:47:15 -180.965264 0.003179 LBFGSLineSearch: 4 14:47:21 -180.965264 0.002103 LBFGSLineSearch: 5 14:47:25 -180.965264 0.001605 LBFGSLineSearch: 6 14:47:30 -180.965265 0.001018 LBFGSLineSearch: 7 14:47:34 -180.965265 0.000867 LBFGSLineSearch: 8 14:47:39 -180.965265 0.000777 LBFGSLineSearch: 9 14:47:46 -180.965265 0.001395 LBFGSLineSearch: 10 14:47:50 -180.965265 0.002375 LBFGSLineSearch: 11 14:47:52 -180.965265 0.000762 LBFGSLineSearch: 12 14:47:55 -180.965265 0.000579 LBFGSLineSearch: 13 14:47:59 -180.965265 0.000571 LBFGSLineSearch: 14 14:48:01 -180.965265 0.000212 LBFGSLineSearch: 15 14:48:05 -180.965265 0.000016 LBFGSLineSearch: 16 14:48:11 -180.965265 0.000015 LBFGSLineSearch: 17 14:48:16 -180.965265 0.000002 Minimization converged after 17 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:48:25 -179.981698 0.070255 LBFGSLineSearch: 1 14:48:30 -179.982001 0.013228 LBFGSLineSearch: 2 14:48:34 -179.982005 0.007052 LBFGSLineSearch: 3 14:48:39 -179.982006 0.003273 LBFGSLineSearch: 4 14:48:44 -179.982006 0.002728 LBFGSLineSearch: 5 14:48:48 -179.982006 0.002323 LBFGSLineSearch: 6 14:48:51 -179.982006 0.002524 LBFGSLineSearch: 7 14:48:53 -179.982007 0.002014 LBFGSLineSearch: 8 14:48:56 -179.982007 0.002018 LBFGSLineSearch: 9 14:48:59 -179.982008 0.004467 LBFGSLineSearch: 10 14:49:02 -179.982009 0.001900 LBFGSLineSearch: 11 14:49:06 -179.982009 0.000395 LBFGSLineSearch: 12 14:49:11 -179.982009 0.000260 LBFGSLineSearch: 13 14:49:16 -179.982009 0.000215 LBFGSLineSearch: 14 14:49:19 -179.982009 0.000037 LBFGSLineSearch: 15 14:49:23 -179.982009 0.000007 Minimization converged after 15 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:49:34 -178.878689 0.078810 LBFGSLineSearch: 1 14:49:37 -178.879068 0.014794 LBFGSLineSearch: 2 14:49:41 -178.879073 0.007883 LBFGSLineSearch: 3 14:49:46 -178.879074 0.003659 LBFGSLineSearch: 4 14:49:50 -178.879075 0.003055 LBFGSLineSearch: 5 14:49:54 -178.879075 0.002601 LBFGSLineSearch: 6 14:49:58 -178.879075 0.002847 LBFGSLineSearch: 7 14:50:02 -178.879076 0.002258 LBFGSLineSearch: 8 14:50:08 -178.879076 0.002281 LBFGSLineSearch: 9 14:50:12 -178.879077 0.005001 LBFGSLineSearch: 10 14:50:17 -178.879078 0.003185 LBFGSLineSearch: 11 14:50:21 -178.879079 0.001940 LBFGSLineSearch: 12 14:50:24 -178.879079 0.000397 LBFGSLineSearch: 13 14:50:27 -178.879079 0.000234 LBFGSLineSearch: 14 14:50:31 -178.879079 0.000135 LBFGSLineSearch: 15 14:50:36 -178.879079 0.000026 LBFGSLineSearch: 16 14:50:41 -178.879079 0.000009 Minimization converged after 16 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:50:50 -177.641527 0.088403 LBFGSLineSearch: 1 14:50:55 -177.642002 0.016538 LBFGSLineSearch: 2 14:50:59 -177.642008 0.008806 LBFGSLineSearch: 3 14:51:04 -177.642009 0.004092 LBFGSLineSearch: 4 14:51:10 -177.642010 0.003421 LBFGSLineSearch: 5 14:51:15 -177.642010 0.002910 LBFGSLineSearch: 6 14:51:17 -177.642010 0.003220 LBFGSLineSearch: 7 14:51:20 -177.642011 0.002534 LBFGSLineSearch: 8 14:51:24 -177.642012 0.002583 LBFGSLineSearch: 9 14:51:26 -177.642013 0.005598 LBFGSLineSearch: 10 14:51:29 -177.642014 0.002377 LBFGSLineSearch: 11 14:51:31 -177.642014 0.000508 LBFGSLineSearch: 12 14:51:33 -177.642014 0.000305 LBFGSLineSearch: 13 14:51:36 -177.642014 0.000317 LBFGSLineSearch: 14 14:51:39 -177.642014 0.000220 LBFGSLineSearch: 15 14:51:44 -177.642014 0.000013 LBFGSLineSearch: 16 14:51:49 -177.642014 0.000006 Minimization converged after 16 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:51:58 -176.254002 0.099145 LBFGSLineSearch: 1 14:52:02 -176.254596 0.018493 LBFGSLineSearch: 2 14:52:07 -176.254604 0.009951 LBFGSLineSearch: 3 14:52:12 -176.254606 0.004769 LBFGSLineSearch: 4 14:52:17 -176.254606 0.004320 LBFGSLineSearch: 5 14:52:21 -176.254607 0.004079 LBFGSLineSearch: 6 14:52:25 -176.254608 0.004577 LBFGSLineSearch: 7 14:52:28 -176.254609 0.002311 LBFGSLineSearch: 8 14:52:33 -176.254610 0.004873 LBFGSLineSearch: 9 14:52:38 -176.254611 0.005849 LBFGSLineSearch: 10 14:52:41 -176.254613 0.002676 LBFGSLineSearch: 11 14:52:44 -176.254614 0.001544 LBFGSLineSearch: 12 14:52:48 -176.254614 0.000994 LBFGSLineSearch: 13 14:52:53 -176.254614 0.000899 LBFGSLineSearch: 14 14:52:57 -176.254614 0.000539 LBFGSLineSearch: 15 14:53:00 -176.254614 0.000168 LBFGSLineSearch: 16 14:53:05 -176.254614 0.000143 LBFGSLineSearch: 17 14:53:10 -176.254614 0.000018 LBFGSLineSearch: 18 14:53:16 -176.254614 0.000000 Minimization converged after 18 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:53:25 -174.698001 0.111187 LBFGSLineSearch: 1 14:53:30 -174.698744 0.020650 LBFGSLineSearch: 2 14:53:35 -174.698754 0.011172 LBFGSLineSearch: 3 14:53:39 -174.698756 0.005054 LBFGSLineSearch: 4 14:53:45 -174.698756 0.004351 LBFGSLineSearch: 5 14:53:50 -174.698757 0.004076 LBFGSLineSearch: 6 14:53:55 -174.698758 0.004056 LBFGSLineSearch: 7 14:54:00 -174.698759 0.003657 LBFGSLineSearch: 8 14:54:05 -174.698760 0.003313 LBFGSLineSearch: 9 14:54:11 -174.698762 0.007110 LBFGSLineSearch: 10 14:54:15 -174.698764 0.002905 LBFGSLineSearch: 11 14:54:18 -174.698764 0.001553 LBFGSLineSearch: 12 14:54:22 -174.698764 0.001147 LBFGSLineSearch: 13 14:54:26 -174.698764 0.001158 LBFGSLineSearch: 14 14:54:29 -174.698764 0.000368 LBFGSLineSearch: 15 14:54:32 -174.698765 0.000199 LBFGSLineSearch: 16 14:54:35 -174.698765 0.000200 LBFGSLineSearch: 17 14:54:38 -174.698765 0.000008 Minimization converged after 17 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:54:47 -172.953246 0.124685 LBFGSLineSearch: 1 14:54:51 -172.954173 0.023068 LBFGSLineSearch: 2 14:54:56 -172.954185 0.012241 LBFGSLineSearch: 3 14:55:00 -172.954187 0.005699 LBFGSLineSearch: 4 14:55:05 -172.954188 0.004802 LBFGSLineSearch: 5 14:55:09 -172.954189 0.004072 LBFGSLineSearch: 6 14:55:12 -172.954190 0.004665 LBFGSLineSearch: 7 14:55:16 -172.954191 0.002381 LBFGSLineSearch: 8 14:55:19 -172.954192 0.003310 LBFGSLineSearch: 9 14:55:23 -172.954193 0.005191 LBFGSLineSearch: 10 14:55:28 -172.954196 0.006545 LBFGSLineSearch: 11 14:55:31 -172.954197 0.001550 LBFGSLineSearch: 12 14:55:34 -172.954197 0.000654 LBFGSLineSearch: 13 14:55:38 -172.954197 0.000486 LBFGSLineSearch: 14 14:55:41 -172.954197 0.000425 LBFGSLineSearch: 15 14:55:45 -172.954197 0.000091 LBFGSLineSearch: 16 14:55:51 -172.954197 0.000009 Minimization converged after 16 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:56:02 -170.997051 0.139797 LBFGSLineSearch: 1 14:56:08 -170.998208 0.025715 LBFGSLineSearch: 2 14:56:13 -170.998223 0.013634 LBFGSLineSearch: 3 14:56:19 -170.998226 0.006354 LBFGSLineSearch: 4 14:56:24 -170.998227 0.005369 LBFGSLineSearch: 5 14:56:28 -170.998228 0.004551 LBFGSLineSearch: 6 14:56:32 -170.998228 0.005258 LBFGSLineSearch: 7 14:56:36 -170.998230 0.002662 LBFGSLineSearch: 8 14:56:40 -170.998231 0.003712 LBFGSLineSearch: 9 14:56:46 -170.998233 0.005883 LBFGSLineSearch: 10 14:56:51 -170.998236 0.007297 LBFGSLineSearch: 11 14:56:56 -170.998238 0.001742 LBFGSLineSearch: 12 14:57:01 -170.998238 0.000744 LBFGSLineSearch: 13 14:57:07 -170.998238 0.000565 LBFGSLineSearch: 14 14:57:10 -170.998238 0.000410 LBFGSLineSearch: 15 14:57:15 -170.998238 0.000172 LBFGSLineSearch: 16 14:57:21 -170.998238 0.000013 LBFGSLineSearch: 17 14:57:24 -170.998238 0.000010 LBFGSLineSearch: 18 14:57:29 -170.998238 0.000000 Minimization converged after 18 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:57:39 -168.804075 0.156726 LBFGSLineSearch: 1 14:57:44 -168.805517 0.028687 LBFGSLineSearch: 2 14:57:49 -168.805535 0.015191 LBFGSLineSearch: 3 14:57:54 -168.805539 0.007087 LBFGSLineSearch: 4 14:57:58 -168.805540 0.006006 LBFGSLineSearch: 5 14:58:03 -168.805541 0.005080 LBFGSLineSearch: 6 14:58:06 -168.805542 0.005992 LBFGSLineSearch: 7 14:58:09 -168.805544 0.002973 LBFGSLineSearch: 8 14:58:14 -168.805546 0.004172 LBFGSLineSearch: 9 14:58:19 -168.805548 0.006725 LBFGSLineSearch: 10 14:58:25 -168.805552 0.008153 LBFGSLineSearch: 11 14:58:29 -168.805554 0.001981 LBFGSLineSearch: 12 14:58:33 -168.805554 0.000849 LBFGSLineSearch: 13 14:58:37 -168.805554 0.000646 LBFGSLineSearch: 14 14:58:42 -168.805554 0.000404 LBFGSLineSearch: 15 14:58:47 -168.805554 0.000203 LBFGSLineSearch: 16 14:58:53 -168.805554 0.000012 LBFGSLineSearch: 17 14:58:58 -168.805554 0.000008 Minimization converged after 17 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:59:07 -166.346003 0.175684 LBFGSLineSearch: 1 14:59:13 -166.347798 0.031978 LBFGSLineSearch: 2 14:59:19 -166.347821 0.016911 LBFGSLineSearch: 3 14:59:25 -166.347825 0.007898 LBFGSLineSearch: 4 14:59:31 -166.347826 0.006716 LBFGSLineSearch: 5 14:59:34 -166.347828 0.005668 LBFGSLineSearch: 6 14:59:38 -166.347829 0.006831 LBFGSLineSearch: 7 14:59:43 -166.347831 0.003319 LBFGSLineSearch: 8 14:59:48 -166.347833 0.004688 LBFGSLineSearch: 9 14:59:55 -166.347837 0.007699 LBFGSLineSearch: 10 15:00:01 -166.347841 0.009101 LBFGSLineSearch: 11 15:00:04 -166.347844 0.002250 LBFGSLineSearch: 12 15:00:08 -166.347844 0.000967 LBFGSLineSearch: 13 15:00:12 -166.347844 0.000738 LBFGSLineSearch: 14 15:00:15 -166.347844 0.000441 LBFGSLineSearch: 15 15:00:18 -166.347844 0.000238 LBFGSLineSearch: 16 15:00:22 -166.347844 0.000074 LBFGSLineSearch: 17 15:00:29 -166.347844 0.000012 LBFGSLineSearch: 18 15:00:36 -166.347844 0.000009 Minimization converged after 18 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:00:46 -163.591214 0.196902 LBFGSLineSearch: 1 15:00:53 -163.593446 0.035610 LBFGSLineSearch: 2 15:00:58 -163.593473 0.018803 LBFGSLineSearch: 3 15:01:01 -163.593479 0.008792 LBFGSLineSearch: 4 15:01:07 -163.593480 0.007507 LBFGSLineSearch: 5 15:01:12 -163.593482 0.006321 LBFGSLineSearch: 6 15:01:17 -163.593484 0.007774 LBFGSLineSearch: 7 15:01:22 -163.593486 0.003703 LBFGSLineSearch: 8 15:01:26 -163.593489 0.005263 LBFGSLineSearch: 9 15:01:29 -163.593493 0.008807 LBFGSLineSearch: 10 15:01:34 -163.593499 0.010138 LBFGSLineSearch: 11 15:01:38 -163.593502 0.002555 LBFGSLineSearch: 12 15:01:42 -163.593502 0.001100 LBFGSLineSearch: 13 15:01:46 -163.593502 0.000863 LBFGSLineSearch: 14 15:01:50 -163.593502 0.000540 LBFGSLineSearch: 15 15:01:55 -163.593502 0.000346 LBFGSLineSearch: 16 15:01:59 -163.593502 0.000163 LBFGSLineSearch: 17 15:02:04 -163.593502 0.000011 LBFGSLineSearch: 18 15:02:08 -163.593502 0.000006 Minimization converged after 18 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:02:18 -160.504414 0.220649 LBFGSLineSearch: 1 15:02:25 -160.507189 0.039612 LBFGSLineSearch: 2 15:02:30 -160.507222 0.020872 LBFGSLineSearch: 3 15:02:36 -160.507228 0.009528 LBFGSLineSearch: 4 15:02:41 -160.507231 0.007689 LBFGSLineSearch: 5 15:02:44 -160.507233 0.006034 LBFGSLineSearch: 6 15:02:48 -160.507234 0.007545 LBFGSLineSearch: 7 15:02:51 -160.507237 0.004213 LBFGSLineSearch: 8 15:02:54 -160.507239 0.003849 LBFGSLineSearch: 9 15:02:57 -160.507242 0.005484 LBFGSLineSearch: 10 15:03:02 -160.507248 0.007863 LBFGSLineSearch: 11 15:03:05 -160.507252 0.004810 LBFGSLineSearch: 12 15:03:08 -160.507253 0.001840 LBFGSLineSearch: 13 15:03:12 -160.507253 0.001626 LBFGSLineSearch: 14 15:03:17 -160.507254 0.001223 LBFGSLineSearch: 15 15:03:21 -160.507254 0.000296 LBFGSLineSearch: 16 15:03:25 -160.507254 0.000092 LBFGSLineSearch: 17 15:03:29 -160.507254 0.000068 LBFGSLineSearch: 18 15:03:35 -160.507254 0.000028 LBFGSLineSearch: 19 15:03:40 -160.507254 0.000002 Minimization converged after 19 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:03:49 -157.046240 0.247217 LBFGSLineSearch: 1 15:03:55 -157.049690 0.043275 LBFGSLineSearch: 2 15:04:02 -157.049731 0.023116 LBFGSLineSearch: 3 15:04:08 -157.049739 0.011129 LBFGSLineSearch: 4 15:04:13 -157.049742 0.009258 LBFGSLineSearch: 5 15:04:17 -157.049745 0.007329 LBFGSLineSearch: 6 15:04:22 -157.049747 0.010109 LBFGSLineSearch: 7 15:04:26 -157.049751 0.004452 LBFGSLineSearch: 8 15:04:29 -157.049754 0.005740 LBFGSLineSearch: 9 15:04:31 -157.049759 0.008806 LBFGSLineSearch: 10 15:04:35 -157.049766 0.007577 LBFGSLineSearch: 11 15:04:39 -157.049772 0.005121 LBFGSLineSearch: 12 15:04:44 -157.049773 0.001709 LBFGSLineSearch: 13 15:04:47 -157.049773 0.001722 LBFGSLineSearch: 14 15:04:51 -157.049773 0.001161 LBFGSLineSearch: 15 15:04:55 -157.049774 0.000597 LBFGSLineSearch: 16 15:04:58 -157.049774 0.000074 LBFGSLineSearch: 17 15:05:02 -157.049774 0.000065 LBFGSLineSearch: 18 15:05:06 -157.049774 0.000022 LBFGSLineSearch: 19 15:05:11 -157.049774 0.000001 Minimization converged after 19 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:05:21 -153.172812 0.276926 LBFGSLineSearch: 1 15:05:26 -153.177070 0.049608 LBFGSLineSearch: 2 15:05:31 -153.177121 0.025999 LBFGSLineSearch: 3 15:05:35 -153.177132 0.012235 LBFGSLineSearch: 4 15:05:41 -153.177135 0.010651 LBFGSLineSearch: 5 15:05:45 -153.177139 0.007169 LBFGSLineSearch: 6 15:05:49 -153.177141 0.010382 LBFGSLineSearch: 7 15:05:53 -153.177148 0.007362 LBFGSLineSearch: 8 15:05:59 -153.177153 0.009092 LBFGSLineSearch: 9 15:06:05 -153.177166 0.015967 LBFGSLineSearch: 10 15:06:10 -153.177173 0.006761 LBFGSLineSearch: 11 15:06:13 -153.177175 0.001776 LBFGSLineSearch: 12 15:06:16 -153.177175 0.001334 LBFGSLineSearch: 13 15:06:22 -153.177175 0.001118 LBFGSLineSearch: 14 15:06:27 -153.177175 0.000245 LBFGSLineSearch: 15 15:06:34 -153.177175 0.000251 LBFGSLineSearch: 16 15:06:38 -153.177175 0.000032 LBFGSLineSearch: 17 15:06:44 -153.177175 0.000000 Minimization converged after 17 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:06:53 -148.835193 0.310142 LBFGSLineSearch: 1 15:07:00 -148.840444 0.053739 LBFGSLineSearch: 2 15:07:06 -148.840503 0.028333 LBFGSLineSearch: 3 15:07:13 -148.840515 0.013306 LBFGSLineSearch: 4 15:07:16 -148.840519 0.011230 LBFGSLineSearch: 5 15:07:18 -148.840523 0.009473 LBFGSLineSearch: 6 15:07:20 -148.840526 0.012586 LBFGSLineSearch: 7 15:07:22 -148.840532 0.005559 LBFGSLineSearch: 8 15:07:23 -148.840538 0.007878 LBFGSLineSearch: 9 15:07:25 -148.840545 0.011527 LBFGSLineSearch: 10 15:07:27 -148.840557 0.009427 LBFGSLineSearch: 11 15:07:30 -148.840566 0.005879 LBFGSLineSearch: 12 15:07:32 -148.840567 0.002043 LBFGSLineSearch: 13 15:07:34 -148.840568 0.001619 LBFGSLineSearch: 14 15:07:37 -148.840568 0.001112 LBFGSLineSearch: 15 15:07:40 -148.840568 0.000547 LBFGSLineSearch: 16 15:07:42 -148.840568 0.000216 LBFGSLineSearch: 17 15:07:44 -148.840568 0.000138 LBFGSLineSearch: 18 15:07:46 -148.840568 0.000017 LBFGSLineSearch: 19 15:07:47 -148.840568 0.000001 Minimization converged after 19 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:07:54 -143.978881 0.347264 LBFGSLineSearch: 1 15:07:58 -143.985381 0.060744 LBFGSLineSearch: 2 15:08:01 -143.985453 0.031638 LBFGSLineSearch: 3 15:08:02 -143.985468 0.014867 LBFGSLineSearch: 4 15:08:06 -143.985473 0.013051 LBFGSLineSearch: 5 15:08:08 -143.985478 0.010352 LBFGSLineSearch: 6 15:08:09 -143.985482 0.014868 LBFGSLineSearch: 7 15:08:09 -143.985490 0.006251 LBFGSLineSearch: 8 15:08:10 -143.985497 0.008950 LBFGSLineSearch: 9 15:08:10 -143.985508 0.013703 LBFGSLineSearch: 10 15:08:12 -143.985522 0.011099 LBFGSLineSearch: 11 15:08:14 -143.985532 0.006766 LBFGSLineSearch: 12 15:08:17 -143.985534 0.002293 LBFGSLineSearch: 13 15:08:19 -143.985534 0.001155 LBFGSLineSearch: 14 15:08:22 -143.985534 0.000873 LBFGSLineSearch: 15 15:08:25 -143.985534 0.000825 LBFGSLineSearch: 16 15:08:27 -143.985534 0.000192 LBFGSLineSearch: 17 15:08:30 -143.985534 0.000082 LBFGSLineSearch: 18 15:08:34 -143.985534 0.000040 LBFGSLineSearch: 19 15:08:37 -143.985534 0.000001 Minimization converged after 19 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:08:45 -138.543328 0.388729 LBFGSLineSearch: 1 15:08:49 -138.551350 0.067288 LBFGSLineSearch: 2 15:08:52 -138.551441 0.035096 LBFGSLineSearch: 3 15:08:55 -138.551459 0.017117 LBFGSLineSearch: 4 15:08:59 -138.551467 0.017024 LBFGSLineSearch: 5 15:09:01 -138.551476 0.013248 LBFGSLineSearch: 6 15:09:02 -138.551483 0.019780 LBFGSLineSearch: 7 15:09:04 -138.551498 0.009244 LBFGSLineSearch: 8 15:09:05 -138.551512 0.013136 LBFGSLineSearch: 9 15:09:07 -138.551533 0.019048 LBFGSLineSearch: 10 15:09:09 -138.551558 0.013989 LBFGSLineSearch: 11 15:09:10 -138.551571 0.006642 LBFGSLineSearch: 12 15:09:11 -138.551573 0.002384 LBFGSLineSearch: 13 15:09:14 -138.551573 0.000802 LBFGSLineSearch: 14 15:09:16 -138.551573 0.000510 LBFGSLineSearch: 15 15:09:18 -138.551573 0.000439 LBFGSLineSearch: 16 15:09:20 -138.551573 0.000210 LBFGSLineSearch: 17 15:09:22 -138.551573 0.000108 LBFGSLineSearch: 18 15:09:26 -138.551573 0.000066 LBFGSLineSearch: 19 15:09:29 -138.551573 0.000024 LBFGSLineSearch: 20 15:09:32 -138.551573 0.000000 Minimization converged after 20 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:09:40 -132.461237 0.435024 LBFGSLineSearch: 1 15:09:42 -132.471039 0.074230 LBFGSLineSearch: 2 15:09:43 -132.471144 0.038556 LBFGSLineSearch: 3 15:09:45 -132.471165 0.017779 LBFGSLineSearch: 4 15:09:45 -132.471172 0.016941 LBFGSLineSearch: 5 15:09:46 -132.471180 0.013567 LBFGSLineSearch: 6 15:09:47 -132.471188 0.019060 LBFGSLineSearch: 7 15:09:48 -132.471202 0.009048 LBFGSLineSearch: 8 15:09:49 -132.471218 0.013493 LBFGSLineSearch: 9 15:09:50 -132.471237 0.018488 LBFGSLineSearch: 10 15:09:51 -132.471262 0.014190 LBFGSLineSearch: 11 15:09:53 -132.471275 0.006383 LBFGSLineSearch: 12 15:09:55 -132.471277 0.002530 LBFGSLineSearch: 13 15:09:58 -132.471277 0.000686 LBFGSLineSearch: 14 15:10:00 -132.471277 0.000435 LBFGSLineSearch: 15 15:10:02 -132.471277 0.000425 LBFGSLineSearch: 16 15:10:03 -132.471277 0.000160 LBFGSLineSearch: 17 15:10:04 -132.471277 0.000025 LBFGSLineSearch: 18 15:10:06 -132.471277 0.000016 LBFGSLineSearch: 19 15:10:07 -132.471277 0.000004 Minimization converged after 19 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:10:16 -125.657553 0.486695 LBFGSLineSearch: 1 15:10:18 -125.669516 0.081136 LBFGSLineSearch: 2 15:10:22 -125.669638 0.042099 LBFGSLineSearch: 3 15:10:25 -125.669663 0.020065 LBFGSLineSearch: 4 15:10:25 -125.669672 0.018014 LBFGSLineSearch: 5 15:10:27 -125.669682 0.014773 LBFGSLineSearch: 6 15:10:30 -125.669691 0.012475 LBFGSLineSearch: 7 15:10:31 -125.669705 0.009240 LBFGSLineSearch: 8 15:10:34 -125.669721 0.012858 LBFGSLineSearch: 9 15:10:35 -125.669743 0.015851 LBFGSLineSearch: 10 15:10:37 -125.669772 0.014106 LBFGSLineSearch: 11 15:10:40 -125.669786 0.006143 LBFGSLineSearch: 12 15:10:43 -125.669788 0.002701 LBFGSLineSearch: 13 15:10:46 -125.669789 0.002721 LBFGSLineSearch: 14 15:10:49 -125.669789 0.002056 LBFGSLineSearch: 15 15:10:51 -125.669789 0.001022 LBFGSLineSearch: 16 15:10:54 -125.669789 0.000387 LBFGSLineSearch: 17 15:10:55 -125.669789 0.000062 LBFGSLineSearch: 18 15:10:56 -125.669789 0.000003 Minimization converged after 18 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:11:05 -118.048974 0.544345 LBFGSLineSearch: 1 15:11:07 -118.063776 0.090834 LBFGSLineSearch: 2 15:11:11 -118.063930 0.045379 LBFGSLineSearch: 3 15:11:14 -118.063960 0.023787 LBFGSLineSearch: 4 15:11:17 -118.063973 0.024628 LBFGSLineSearch: 5 15:11:18 -118.063991 0.020066 LBFGSLineSearch: 6 15:11:19 -118.064008 0.031227 LBFGSLineSearch: 7 15:11:20 -118.064041 0.014371 LBFGSLineSearch: 8 15:11:22 -118.064072 0.019866 LBFGSLineSearch: 9 15:11:23 -118.064121 0.031125 LBFGSLineSearch: 10 15:11:24 -118.064172 0.021501 LBFGSLineSearch: 11 15:11:26 -118.064194 0.007725 LBFGSLineSearch: 12 15:11:28 -118.064198 0.002996 LBFGSLineSearch: 13 15:11:30 -118.064198 0.002494 LBFGSLineSearch: 14 15:11:32 -118.064198 0.001833 LBFGSLineSearch: 15 15:11:34 -118.064199 0.000699 LBFGSLineSearch: 16 15:11:36 -118.064199 0.000176 LBFGSLineSearch: 17 15:11:40 -118.064199 0.000132 LBFGSLineSearch: 18 15:11:43 -118.064199 0.000024 LBFGSLineSearch: 19 15:11:46 -118.064199 0.000001 Minimization converged after 19 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:11:53 -109.543927 0.608591 LBFGSLineSearch: 1 15:11:56 -109.561814 0.099719 LBFGSLineSearch: 2 15:11:57 -109.561984 0.050826 LBFGSLineSearch: 3 15:12:00 -109.562018 0.024441 LBFGSLineSearch: 4 15:12:04 -109.562031 0.022122 LBFGSLineSearch: 5 15:12:07 -109.562046 0.017987 LBFGSLineSearch: 6 15:12:10 -109.562060 0.015310 LBFGSLineSearch: 7 15:12:13 -109.562081 0.011695 LBFGSLineSearch: 8 15:12:15 -109.562106 0.016309 LBFGSLineSearch: 9 15:12:16 -109.562141 0.020497 LBFGSLineSearch: 10 15:12:18 -109.562181 0.017777 LBFGSLineSearch: 11 15:12:20 -109.562199 0.006819 LBFGSLineSearch: 12 15:12:22 -109.562202 0.004578 LBFGSLineSearch: 13 15:12:24 -109.562203 0.004495 LBFGSLineSearch: 14 15:12:28 -109.562204 0.002642 LBFGSLineSearch: 15 15:12:30 -109.562205 0.001270 LBFGSLineSearch: 16 15:12:32 -109.562205 0.000427 LBFGSLineSearch: 17 15:12:34 -109.562205 0.000140 LBFGSLineSearch: 18 15:12:37 -109.562205 0.000010 LBFGSLineSearch: 19 15:12:40 -109.562205 0.000000 Minimization converged after 19 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:12:48 -100.039292 0.680208 LBFGSLineSearch: 1 15:12:50 -100.060950 0.107187 LBFGSLineSearch: 2 15:12:54 -100.061146 0.055426 LBFGSLineSearch: 3 15:12:57 -100.061185 0.026814 LBFGSLineSearch: 4 15:13:00 -100.061200 0.024144 LBFGSLineSearch: 5 15:13:01 -100.061218 0.019703 LBFGSLineSearch: 6 15:13:06 -100.061234 0.016599 LBFGSLineSearch: 7 15:13:09 -100.061258 0.012660 LBFGSLineSearch: 8 15:13:12 -100.061287 0.017642 LBFGSLineSearch: 9 15:13:14 -100.061329 0.022801 LBFGSLineSearch: 10 15:13:16 -100.061377 0.019618 LBFGSLineSearch: 11 15:13:18 -100.061397 0.008150 LBFGSLineSearch: 12 15:13:22 -100.061400 0.004450 LBFGSLineSearch: 13 15:13:24 -100.061401 0.004460 LBFGSLineSearch: 14 15:13:27 -100.061402 0.002576 LBFGSLineSearch: 15 15:13:28 -100.061403 0.001142 LBFGSLineSearch: 16 15:13:29 -100.061403 0.000355 LBFGSLineSearch: 17 15:13:31 -100.061403 0.000108 LBFGSLineSearch: 18 15:13:33 -100.061403 0.000006 Minimization converged after 18 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:13:42 -89.421626 0.759986 LBFGSLineSearch: 1 15:13:45 -89.447926 0.118828 LBFGSLineSearch: 2 15:13:46 -89.448157 0.061634 LBFGSLineSearch: 3 15:13:48 -89.448205 0.029901 LBFGSLineSearch: 4 15:13:50 -89.448223 0.025826 LBFGSLineSearch: 5 15:13:53 -89.448244 0.019827 LBFGSLineSearch: 6 15:13:56 -89.448260 0.015612 LBFGSLineSearch: 7 15:13:58 -89.448283 0.012018 LBFGSLineSearch: 8 15:14:02 -89.448311 0.016116 LBFGSLineSearch: 9 15:14:04 -89.448354 0.022288 LBFGSLineSearch: 10 15:14:07 -89.448410 0.021965 LBFGSLineSearch: 11 15:14:09 -89.448435 0.010309 LBFGSLineSearch: 12 15:14:12 -89.448444 0.007059 LBFGSLineSearch: 13 15:14:14 -89.448445 0.006670 LBFGSLineSearch: 14 15:14:17 -89.448448 0.002610 LBFGSLineSearch: 15 15:14:18 -89.448449 0.001179 LBFGSLineSearch: 16 15:14:19 -89.448449 0.000291 LBFGSLineSearch: 17 15:14:23 -89.448449 0.000195 LBFGSLineSearch: 18 15:14:26 -89.448449 0.000010 Minimization converged after 18 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:14:36 -77.565447 0.848785 LBFGSLineSearch: 1 15:14:40 -77.597189 0.130010 LBFGSLineSearch: 2 15:14:42 -77.597454 0.065965 LBFGSLineSearch: 3 15:14:45 -77.597508 0.031900 LBFGSLineSearch: 4 15:14:48 -77.597527 0.028368 LBFGSLineSearch: 5 15:14:50 -77.597551 0.021876 LBFGSLineSearch: 6 15:14:53 -77.597571 0.017462 LBFGSLineSearch: 7 15:14:56 -77.597599 0.013745 LBFGSLineSearch: 8 15:14:57 -77.597634 0.018852 LBFGSLineSearch: 9 15:14:59 -77.597688 0.025532 LBFGSLineSearch: 10 15:15:01 -77.597753 0.024558 LBFGSLineSearch: 11 15:15:03 -77.597779 0.012285 LBFGSLineSearch: 12 15:15:04 -77.597788 0.006086 LBFGSLineSearch: 13 15:15:06 -77.597789 0.006135 LBFGSLineSearch: 14 15:15:08 -77.597791 0.002338 LBFGSLineSearch: 15 15:15:11 -77.597792 0.000754 LBFGSLineSearch: 16 15:15:12 -77.597792 0.000470 LBFGSLineSearch: 17 15:15:13 -77.597792 0.000241 LBFGSLineSearch: 18 15:15:15 -77.597792 0.000060 LBFGSLineSearch: 19 15:15:19 -77.597792 0.000004 Minimization converged after 19 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:15:27 -64.331604 0.947585 LBFGSLineSearch: 1 15:15:29 -64.369777 0.142587 LBFGSLineSearch: 2 15:15:33 -64.370083 0.072429 LBFGSLineSearch: 3 15:15:36 -64.370146 0.035451 LBFGSLineSearch: 4 15:15:41 -64.370170 0.033465 LBFGSLineSearch: 5 15:15:44 -64.370202 0.025714 LBFGSLineSearch: 6 15:15:46 -64.370229 0.021909 LBFGSLineSearch: 7 15:15:48 -64.370272 0.017442 LBFGSLineSearch: 8 15:15:50 -64.370325 0.023941 LBFGSLineSearch: 9 15:15:52 -64.370406 0.032236 LBFGSLineSearch: 10 15:15:53 -64.370482 0.027708 LBFGSLineSearch: 11 15:15:56 -64.370508 0.014887 LBFGSLineSearch: 12 15:15:58 -64.370515 0.005551 LBFGSLineSearch: 13 15:15:59 -64.370516 0.005771 LBFGSLineSearch: 14 15:16:03 -64.370518 0.002787 LBFGSLineSearch: 15 15:16:05 -64.370518 0.000534 LBFGSLineSearch: 16 15:16:09 -64.370518 0.000139 LBFGSLineSearch: 17 15:16:14 -64.370518 0.000065 LBFGSLineSearch: 18 15:16:19 -64.370518 0.000004 Minimization converged after 18 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:16:27 -49.566376 1.057439 LBFGSLineSearch: 1 15:16:31 -49.612284 0.156332 LBFGSLineSearch: 2 15:16:34 -49.612634 0.079496 LBFGSLineSearch: 3 15:16:36 -49.612711 0.039651 LBFGSLineSearch: 4 15:16:40 -49.612741 0.038234 LBFGSLineSearch: 5 15:16:42 -49.612782 0.030328 LBFGSLineSearch: 6 15:16:46 -49.612818 0.028288 LBFGSLineSearch: 7 15:16:48 -49.612886 0.021395 LBFGSLineSearch: 8 15:16:50 -49.612965 0.030717 LBFGSLineSearch: 9 15:16:52 -49.613094 0.039245 LBFGSLineSearch: 10 15:16:54 -49.613188 0.029137 LBFGSLineSearch: 11 15:16:56 -49.613227 0.007872 LBFGSLineSearch: 12 15:16:58 -49.613230 0.005716 LBFGSLineSearch: 13 15:17:00 -49.613230 0.004260 LBFGSLineSearch: 14 15:17:01 -49.613231 0.003221 LBFGSLineSearch: 15 15:17:02 -49.613232 0.002035 LBFGSLineSearch: 16 15:17:04 -49.613232 0.000889 LBFGSLineSearch: 17 15:17:05 -49.613232 0.000179 LBFGSLineSearch: 18 15:17:08 -49.613232 0.000112 LBFGSLineSearch: 19 15:17:10 -49.613232 0.000011 LBFGSLineSearch: 20 15:17:12 -49.613232 0.000000 Minimization converged after 20 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:17:22 -33.100310 1.179494 LBFGSLineSearch: 1 15:17:24 -33.143844 0.552791 LBFGSLineSearch: 2 15:17:27 -33.153863 0.370910 LBFGSLineSearch: 3 15:17:31 -33.155249 0.159489 LBFGSLineSearch: 4 15:17:34 -33.155647 0.101950 LBFGSLineSearch: 5 15:17:37 -33.155809 0.052656 LBFGSLineSearch: 6 15:17:39 -33.155850 0.029791 LBFGSLineSearch: 7 15:17:41 -33.155876 0.036856 LBFGSLineSearch: 8 15:17:43 -33.156020 0.049572 LBFGSLineSearch: 9 15:17:44 -33.156119 0.046073 LBFGSLineSearch: 10 15:17:45 -33.156231 0.028112 LBFGSLineSearch: 11 15:17:47 -33.156300 0.025481 LBFGSLineSearch: 12 15:17:50 -33.156328 0.017648 LBFGSLineSearch: 13 15:17:54 -33.156333 0.007480 LBFGSLineSearch: 14 15:17:57 -33.156334 0.006908 LBFGSLineSearch: 15 15:17:59 -33.156336 0.004223 LBFGSLineSearch: 16 15:18:02 -33.156337 0.000731 LBFGSLineSearch: 17 15:18:02 -33.156338 0.000138 LBFGSLineSearch: 18 15:18:05 -33.156338 0.000069 LBFGSLineSearch: 19 15:18:08 -33.156338 0.000008 Minimization converged after 19 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:18:17 -14.745815 1.315038 LBFGSLineSearch: 1 15:18:20 -14.799072 0.585724 LBFGSLineSearch: 2 15:18:23 -14.809312 0.453147 LBFGSLineSearch: 3 15:18:25 -14.811113 0.199380 LBFGSLineSearch: 4 15:18:29 -14.811690 0.123354 LBFGSLineSearch: 5 15:18:33 -14.811925 0.062258 LBFGSLineSearch: 6 15:18:35 -14.811982 0.035209 LBFGSLineSearch: 7 15:18:36 -14.812016 0.039761 LBFGSLineSearch: 8 15:18:38 -14.812189 0.059510 LBFGSLineSearch: 9 15:18:39 -14.812327 0.054666 LBFGSLineSearch: 10 15:18:40 -14.812473 0.032127 LBFGSLineSearch: 11 15:18:42 -14.812559 0.030518 LBFGSLineSearch: 12 15:18:44 -14.812598 0.016789 LBFGSLineSearch: 13 15:18:45 -14.812602 0.007360 LBFGSLineSearch: 14 15:18:47 -14.812603 0.002677 LBFGSLineSearch: 15 15:18:48 -14.812603 0.002249 LBFGSLineSearch: 16 15:18:50 -14.812604 0.001636 LBFGSLineSearch: 17 15:18:51 -14.812604 0.000633 LBFGSLineSearch: 18 15:18:52 -14.812604 0.000206 LBFGSLineSearch: 19 15:18:53 -14.812604 0.000153 LBFGSLineSearch: 20 15:18:55 -14.812604 0.000032 LBFGSLineSearch: 21 15:18:56 -14.812604 0.000001 Minimization converged after 21 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:19:06 5.704166 1.465483 LBFGSLineSearch: 1 15:19:08 5.639297 0.613506 LBFGSLineSearch: 2 15:19:12 5.629161 0.516513 LBFGSLineSearch: 3 15:19:17 5.627018 0.229419 LBFGSLineSearch: 4 15:19:22 5.626288 0.139069 LBFGSLineSearch: 5 15:19:26 5.625981 0.068377 LBFGSLineSearch: 6 15:19:31 5.625908 0.037330 LBFGSLineSearch: 7 15:19:35 5.625871 0.041466 LBFGSLineSearch: 8 15:19:39 5.625700 0.060998 LBFGSLineSearch: 9 15:19:42 5.625530 0.052580 LBFGSLineSearch: 10 15:19:47 5.625387 0.031756 LBFGSLineSearch: 11 15:19:51 5.625317 0.037041 LBFGSLineSearch: 12 15:19:52 5.625274 0.013448 LBFGSLineSearch: 13 15:19:55 5.625270 0.010137 LBFGSLineSearch: 14 15:19:58 5.625266 0.006885 LBFGSLineSearch: 15 15:20:00 5.625263 0.004138 LBFGSLineSearch: 16 15:20:04 5.625262 0.001447 LBFGSLineSearch: 17 15:20:07 5.625262 0.000154 LBFGSLineSearch: 18 15:20:10 5.625262 0.000108 LBFGSLineSearch: 19 15:20:14 5.625262 0.000040 LBFGSLineSearch: 20 15:20:18 5.625262 0.000001 Minimization converged after 20 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:20:25 28.479208 1.632426 LBFGSLineSearch: 1 15:20:28 28.400279 0.641136 LBFGSLineSearch: 2 15:20:31 28.390495 0.601621 LBFGSLineSearch: 3 15:20:35 28.387853 0.272355 LBFGSLineSearch: 4 15:20:41 28.386873 0.162892 LBFGSLineSearch: 5 15:20:47 28.386450 0.078646 LBFGSLineSearch: 6 15:20:49 28.386351 0.043007 LBFGSLineSearch: 7 15:20:51 28.386306 0.043769 LBFGSLineSearch: 8 15:20:54 28.386117 0.070399 LBFGSLineSearch: 9 15:20:57 28.385841 0.046266 LBFGSLineSearch: 10 15:21:01 28.385711 0.032271 LBFGSLineSearch: 11 15:21:02 28.385651 0.036730 LBFGSLineSearch: 12 15:21:05 28.385614 0.013125 LBFGSLineSearch: 13 15:21:09 28.385610 0.012165 LBFGSLineSearch: 14 15:21:13 28.385606 0.007942 LBFGSLineSearch: 15 15:21:17 28.385602 0.004195 LBFGSLineSearch: 16 15:21:20 28.385600 0.001362 LBFGSLineSearch: 17 15:21:24 28.385600 0.000344 LBFGSLineSearch: 18 15:21:28 28.385600 0.000252 LBFGSLineSearch: 19 15:21:33 28.385600 0.000115 LBFGSLineSearch: 20 15:21:35 28.385600 0.000003 Minimization converged after 20 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:21:42 53.830432 1.817491 LBFGSLineSearch: 1 15:21:42 53.734715 0.654051 LBFGSLineSearch: 2 15:21:43 53.725831 0.689739 LBFGSLineSearch: 3 15:21:44 53.722610 0.327273 LBFGSLineSearch: 4 15:21:48 53.721312 0.191409 LBFGSLineSearch: 5 15:21:53 53.720746 0.093371 LBFGSLineSearch: 6 15:21:55 53.720609 0.051755 LBFGSLineSearch: 7 15:21:58 53.720547 0.052845 LBFGSLineSearch: 8 15:22:02 53.720335 0.091235 LBFGSLineSearch: 9 15:22:06 53.719994 0.055448 LBFGSLineSearch: 10 15:22:08 53.719816 0.038998 LBFGSLineSearch: 11 15:22:10 53.719725 0.047966 LBFGSLineSearch: 12 15:22:12 53.719656 0.021679 LBFGSLineSearch: 13 15:22:16 53.719645 0.017661 LBFGSLineSearch: 14 15:22:19 53.719636 0.013251 LBFGSLineSearch: 15 15:22:24 53.719625 0.004845 LBFGSLineSearch: 16 15:22:26 53.719624 0.000849 LBFGSLineSearch: 17 15:22:28 53.719624 0.000293 LBFGSLineSearch: 18 15:22:34 53.719623 0.000009 Minimization converged after 18 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:22:44 82.034073 2.022462 LBFGSLineSearch: 1 15:22:48 81.918606 0.658980 LBFGSLineSearch: 2 15:22:52 81.908667 0.443726 LBFGSLineSearch: 3 15:22:58 81.906035 0.225101 LBFGSLineSearch: 4 15:23:03 81.905382 0.077071 LBFGSLineSearch: 5 15:23:09 81.905253 0.060704 LBFGSLineSearch: 6 15:23:12 81.905218 0.051117 LBFGSLineSearch: 7 15:23:15 81.904949 0.060325 LBFGSLineSearch: 8 15:23:17 81.904799 0.098658 LBFGSLineSearch: 9 15:23:19 81.904512 0.047721 LBFGSLineSearch: 10 15:23:20 81.904300 0.050397 LBFGSLineSearch: 11 15:23:23 81.904236 0.028202 LBFGSLineSearch: 12 15:23:27 81.904218 0.012550 LBFGSLineSearch: 13 15:23:31 81.904214 0.014548 LBFGSLineSearch: 14 15:23:34 81.904203 0.005754 LBFGSLineSearch: 15 15:23:36 81.904202 0.002029 LBFGSLineSearch: 16 15:23:40 81.904201 0.000188 LBFGSLineSearch: 17 15:23:45 81.904201 0.000117 LBFGSLineSearch: 18 15:23:49 81.904201 0.000069 LBFGSLineSearch: 19 15:23:54 81.904201 0.000000 Minimization converged after 19 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:24:02 113.397899 2.249550 LBFGSLineSearch: 1 15:24:03 113.259000 0.648115 LBFGSLineSearch: 2 15:24:05 113.250461 0.447942 LBFGSLineSearch: 3 15:24:08 113.247650 0.247778 LBFGSLineSearch: 4 15:24:12 113.246878 0.086525 LBFGSLineSearch: 5 15:24:15 113.246720 0.066938 LBFGSLineSearch: 6 15:24:17 113.246682 0.056906 LBFGSLineSearch: 7 15:24:21 113.246363 0.075588 LBFGSLineSearch: 8 15:24:24 113.246141 0.064898 LBFGSLineSearch: 9 15:24:26 113.245871 0.063791 LBFGSLineSearch: 10 15:24:28 113.245646 0.049746 LBFGSLineSearch: 11 15:24:32 113.245588 0.020068 LBFGSLineSearch: 12 15:24:36 113.245577 0.012804 LBFGSLineSearch: 13 15:24:39 113.245572 0.010260 LBFGSLineSearch: 14 15:24:44 113.245565 0.004900 LBFGSLineSearch: 15 15:24:48 113.245563 0.001994 LBFGSLineSearch: 16 15:24:52 113.245563 0.000156 LBFGSLineSearch: 17 15:24:56 113.245563 0.000033 LBFGSLineSearch: 18 15:25:00 113.245563 0.000008 Minimization converged after 18 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:25:08 148.258264 2.500914 LBFGSLineSearch: 1 15:25:11 148.092268 0.616339 LBFGSLineSearch: 2 15:25:15 148.085545 0.415407 LBFGSLineSearch: 3 15:25:20 148.082825 0.264407 LBFGSLineSearch: 4 15:25:24 148.081937 0.104246 LBFGSLineSearch: 5 15:25:28 148.081737 0.076254 LBFGSLineSearch: 6 15:25:31 148.081690 0.065417 LBFGSLineSearch: 7 15:25:35 148.081361 0.095916 LBFGSLineSearch: 8 15:25:38 148.081086 0.076949 LBFGSLineSearch: 9 15:25:41 148.080757 0.072348 LBFGSLineSearch: 10 15:25:43 148.080487 0.054047 LBFGSLineSearch: 11 15:25:46 148.080414 0.027661 LBFGSLineSearch: 12 15:25:48 148.080394 0.016004 LBFGSLineSearch: 13 15:25:52 148.080386 0.012488 LBFGSLineSearch: 14 15:25:55 148.080376 0.008102 LBFGSLineSearch: 15 15:25:58 148.080373 0.002574 LBFGSLineSearch: 16 15:26:01 148.080373 0.000617 LBFGSLineSearch: 17 15:26:04 148.080373 0.000185 LBFGSLineSearch: 18 15:26:07 148.080373 0.000005 Minimization converged after 18 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:26:15 186.986620 2.779019 LBFGSLineSearch: 1 15:26:15 186.789327 0.553769 LBFGSLineSearch: 2 15:26:19 186.784621 0.356702 LBFGSLineSearch: 3 15:26:20 186.782282 0.272184 LBFGSLineSearch: 4 15:26:22 186.781340 0.114078 LBFGSLineSearch: 5 15:26:24 186.781103 0.082723 LBFGSLineSearch: 6 15:26:27 186.781056 0.071863 LBFGSLineSearch: 7 15:26:30 186.780730 0.110311 LBFGSLineSearch: 8 15:26:34 186.780400 0.092362 LBFGSLineSearch: 9 15:26:37 186.780084 0.093518 LBFGSLineSearch: 10 15:26:41 186.779809 0.060599 LBFGSLineSearch: 11 15:26:43 186.779743 0.020500 LBFGSLineSearch: 12 15:26:43 186.779724 0.013916 LBFGSLineSearch: 13 15:26:43 186.779718 0.011400 LBFGSLineSearch: 14 15:26:44 186.779712 0.009297 LBFGSLineSearch: 15 15:26:45 186.779710 0.003093 LBFGSLineSearch: 16 15:26:46 186.779709 0.000608 LBFGSLineSearch: 17 15:26:49 186.779709 0.000272 LBFGSLineSearch: 18 15:26:53 186.779709 0.000091 LBFGSLineSearch: 19 15:26:57 186.779709 0.000000 Minimization converged after 19 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:27:06 229.992197 3.086606 LBFGSLineSearch: 1 15:27:08 229.759038 0.464180 LBFGSLineSearch: 2 15:27:12 229.756088 0.317366 LBFGSLineSearch: 3 15:27:14 229.754481 0.252175 LBFGSLineSearch: 4 15:27:16 229.753614 0.137019 LBFGSLineSearch: 5 15:27:19 229.753328 0.096752 LBFGSLineSearch: 6 15:27:21 229.753268 0.085824 LBFGSLineSearch: 7 15:27:23 229.752901 0.129585 LBFGSLineSearch: 8 15:27:26 229.752474 0.114467 LBFGSLineSearch: 9 15:27:29 229.751994 0.065141 LBFGSLineSearch: 10 15:27:32 229.751783 0.076583 LBFGSLineSearch: 11 15:27:36 229.751685 0.027466 LBFGSLineSearch: 12 15:27:38 229.751671 0.019182 LBFGSLineSearch: 13 15:27:41 229.751652 0.011817 LBFGSLineSearch: 14 15:27:45 229.751647 0.007286 LBFGSLineSearch: 15 15:27:46 229.751646 0.001406 LBFGSLineSearch: 16 15:27:48 229.751646 0.001031 LBFGSLineSearch: 17 15:27:49 229.751646 0.000455 LBFGSLineSearch: 18 15:27:52 229.751646 0.000120 LBFGSLineSearch: 19 15:27:56 229.751646 0.000013 LBFGSLineSearch: 20 15:28:00 229.751646 0.000000 Minimization converged after 20 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:28:08 277.723504 3.426561 LBFGSLineSearch: 1 15:28:10 277.449963 0.331189 LBFGSLineSearch: 2 15:28:12 277.448326 0.241743 LBFGSLineSearch: 3 15:28:15 277.447560 0.193070 LBFGSLineSearch: 4 15:28:19 277.447027 0.149485 LBFGSLineSearch: 5 15:28:24 277.446728 0.108695 LBFGSLineSearch: 6 15:28:29 277.446656 0.100455 LBFGSLineSearch: 7 15:28:32 277.446404 0.081018 LBFGSLineSearch: 8 15:28:36 277.445977 0.180629 LBFGSLineSearch: 9 15:28:40 277.445358 0.087779 LBFGSLineSearch: 10 15:28:44 277.445187 0.108017 LBFGSLineSearch: 11 15:28:49 277.445060 0.034437 LBFGSLineSearch: 12 15:28:51 277.445036 0.017404 LBFGSLineSearch: 13 15:28:57 277.445028 0.014787 LBFGSLineSearch: 14 15:29:00 277.445021 0.010894 LBFGSLineSearch: 15 15:29:03 277.445015 0.002431 LBFGSLineSearch: 16 15:29:07 277.445014 0.000303 LBFGSLineSearch: 17 15:29:12 277.445014 0.000127 LBFGSLineSearch: 18 15:29:16 277.445014 0.000002 Minimization converged after 18 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:29:24 330.675392 3.802172 LBFGSLineSearch: 1 15:29:26 330.356951 0.383089 LBFGSLineSearch: 2 15:29:29 330.355873 0.193200 LBFGSLineSearch: 3 15:29:32 330.355563 0.123476 LBFGSLineSearch: 4 15:29:36 330.355396 0.115904 LBFGSLineSearch: 5 15:29:39 330.355139 0.126341 LBFGSLineSearch: 6 15:29:43 330.354980 0.120900 LBFGSLineSearch: 7 15:29:46 330.354637 0.123080 LBFGSLineSearch: 8 15:29:49 330.354235 0.133067 LBFGSLineSearch: 9 15:29:50 330.353527 0.095192 LBFGSLineSearch: 10 15:29:54 330.353411 0.057700 LBFGSLineSearch: 11 15:29:58 330.353332 0.021510 LBFGSLineSearch: 12 15:30:01 330.353324 0.022185 LBFGSLineSearch: 13 15:30:04 330.353314 0.017408 LBFGSLineSearch: 14 15:30:06 330.353306 0.009528 LBFGSLineSearch: 15 15:30:09 330.353303 0.001100 LBFGSLineSearch: 16 15:30:13 330.353303 0.000212 LBFGSLineSearch: 17 15:30:19 330.353303 0.000113 LBFGSLineSearch: 18 15:30:21 330.353303 0.000007 Minimization converged after 18 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:30:28 389.390284 4.216930 LBFGSLineSearch: 1 15:30:30 389.025060 0.437311 LBFGSLineSearch: 2 15:30:34 389.023659 0.254371 LBFGSLineSearch: 3 15:30:37 389.023099 0.232667 LBFGSLineSearch: 4 15:30:41 389.022692 0.199488 LBFGSLineSearch: 5 15:30:46 389.022328 0.098109 LBFGSLineSearch: 6 15:30:52 389.022218 0.107268 LBFGSLineSearch: 7 15:30:55 389.021907 0.115032 LBFGSLineSearch: 8 15:30:57 389.021468 0.225468 LBFGSLineSearch: 9 15:30:59 389.020552 0.073519 LBFGSLineSearch: 10 15:31:02 389.020453 0.045176 LBFGSLineSearch: 11 15:31:06 389.020355 0.025779 LBFGSLineSearch: 12 15:31:10 389.020343 0.023823 LBFGSLineSearch: 13 15:31:14 389.020332 0.019106 LBFGSLineSearch: 14 15:31:18 389.020320 0.010124 LBFGSLineSearch: 15 15:31:21 389.020318 0.001860 LBFGSLineSearch: 16 15:31:24 389.020318 0.000957 LBFGSLineSearch: 17 15:31:30 389.020318 0.002298 LBFGSLineSearch: 18 15:31:33 389.020318 0.002351 LBFGSLineSearch: 19 15:31:38 389.020318 0.000720 LBFGSLineSearch: 20 15:31:41 389.020318 0.000325 LBFGSLineSearch: 21 15:31:43 389.020318 0.000086 LBFGSLineSearch: 22 15:31:48 389.020318 0.000000 Minimization converged after 22 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:31:56 454.469240 4.674923 LBFGSLineSearch: 1 15:31:59 454.054665 0.671128 LBFGSLineSearch: 2 15:32:05 454.051097 0.530465 LBFGSLineSearch: 3 15:32:07 454.048590 0.383298 LBFGSLineSearch: 4 15:32:07 454.046913 0.244732 LBFGSLineSearch: 5 15:32:10 454.046284 0.110863 LBFGSLineSearch: 6 15:32:13 454.046186 0.095716 LBFGSLineSearch: 7 15:32:16 454.045901 0.133862 LBFGSLineSearch: 8 15:32:19 454.045397 0.244362 LBFGSLineSearch: 9 15:32:23 454.044338 0.072658 LBFGSLineSearch: 10 15:32:27 454.044247 0.037620 LBFGSLineSearch: 11 15:32:29 454.044160 0.033584 LBFGSLineSearch: 12 15:32:32 454.044140 0.028641 LBFGSLineSearch: 13 15:32:33 454.044123 0.017141 LBFGSLineSearch: 14 15:32:36 454.044109 0.011640 LBFGSLineSearch: 15 15:32:39 454.044104 0.002397 LBFGSLineSearch: 16 15:32:40 454.044104 0.001594 LBFGSLineSearch: 17 15:32:44 454.044104 0.000689 LBFGSLineSearch: 18 15:32:46 454.044104 0.000086 LBFGSLineSearch: 19 15:32:49 454.044104 0.000006 Minimization converged after 19 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:32:58 526.568639 5.180327 LBFGSLineSearch: 1 15:33:01 526.106234 1.167242 LBFGSLineSearch: 2 15:33:04 526.095727 0.789455 LBFGSLineSearch: 3 15:33:07 526.088278 0.566209 LBFGSLineSearch: 4 15:33:10 526.084899 0.263225 LBFGSLineSearch: 5 15:33:13 526.084021 0.123335 LBFGSLineSearch: 6 15:33:16 526.083915 0.091521 LBFGSLineSearch: 7 15:33:19 526.083690 0.166293 LBFGSLineSearch: 8 15:33:21 526.083237 0.238694 LBFGSLineSearch: 9 15:33:25 526.082248 0.190528 LBFGSLineSearch: 10 15:33:28 526.082025 0.068759 LBFGSLineSearch: 11 15:33:31 526.081840 0.032094 LBFGSLineSearch: 12 15:33:34 526.081823 0.027332 LBFGSLineSearch: 13 15:33:37 526.081810 0.025484 LBFGSLineSearch: 14 15:33:40 526.081788 0.005956 LBFGSLineSearch: 15 15:33:44 526.081787 0.002186 LBFGSLineSearch: 16 15:33:47 526.081787 0.001034 LBFGSLineSearch: 17 15:33:49 526.081787 0.000186 LBFGSLineSearch: 18 15:33:51 526.081787 0.000030 LBFGSLineSearch: 19 15:33:53 526.081787 0.000000 Minimization converged after 19 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:34:02 606.411665 5.737848 LBFGSLineSearch: 1 15:34:05 605.906650 1.825572 LBFGSLineSearch: 2 15:34:09 605.878900 1.236399 LBFGSLineSearch: 3 15:34:12 605.863185 0.766399 LBFGSLineSearch: 4 15:34:14 605.858040 0.291482 LBFGSLineSearch: 5 15:34:18 605.856908 0.140318 LBFGSLineSearch: 6 15:34:23 605.856779 0.101259 LBFGSLineSearch: 7 15:34:25 605.856590 0.206085 LBFGSLineSearch: 8 15:34:27 605.856129 0.253295 LBFGSLineSearch: 9 15:34:29 605.854821 0.122556 LBFGSLineSearch: 10 15:34:34 605.854685 0.096807 LBFGSLineSearch: 11 15:34:37 605.854607 0.052563 LBFGSLineSearch: 12 15:34:41 605.854583 0.036741 LBFGSLineSearch: 13 15:34:46 605.854571 0.016713 LBFGSLineSearch: 14 15:34:49 605.854563 0.014846 LBFGSLineSearch: 15 15:34:51 605.854560 0.005375 LBFGSLineSearch: 16 15:34:54 605.854559 0.000849 LBFGSLineSearch: 17 15:34:56 605.854559 0.000169 LBFGSLineSearch: 18 15:34:58 605.854559 0.000005 Minimization converged after 18 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:35:07 694.792209 6.352692 LBFGSLineSearch: 1 15:35:10 694.260192 2.669856 LBFGSLineSearch: 2 15:35:14 694.196012 1.923431 LBFGSLineSearch: 3 15:35:18 694.169281 0.953913 LBFGSLineSearch: 4 15:35:25 694.162200 0.343963 LBFGSLineSearch: 5 15:35:28 694.160745 0.151480 LBFGSLineSearch: 6 15:35:31 694.160592 0.109410 LBFGSLineSearch: 7 15:35:35 694.160381 0.146241 LBFGSLineSearch: 8 15:35:39 694.160025 0.270105 LBFGSLineSearch: 9 15:35:42 694.158692 0.208287 LBFGSLineSearch: 10 15:35:45 694.158472 0.063541 LBFGSLineSearch: 11 15:35:48 694.158357 0.081894 LBFGSLineSearch: 12 15:35:50 694.158313 0.033876 LBFGSLineSearch: 13 15:35:55 694.158284 0.021176 LBFGSLineSearch: 14 15:35:59 694.158270 0.013624 LBFGSLineSearch: 15 15:36:01 694.158261 0.006288 LBFGSLineSearch: 16 15:36:03 694.158259 0.001908 LBFGSLineSearch: 17 15:36:06 694.158259 0.000887 LBFGSLineSearch: 18 15:36:08 694.158259 0.000312 LBFGSLineSearch: 19 15:36:13 694.158259 0.000041 LBFGSLineSearch: 20 15:36:18 694.158259 0.000001 Minimization converged after 20 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:36:27 792.587527 7.030662 LBFGSLineSearch: 1 15:36:32 791.870490 0.565348 LBFGSLineSearch: 2 15:36:36 791.869058 0.284526 LBFGSLineSearch: 3 15:36:40 791.868578 0.195470 LBFGSLineSearch: 4 15:36:43 791.868304 0.204375 LBFGSLineSearch: 5 15:36:47 791.867873 0.173835 LBFGSLineSearch: 6 15:36:50 791.867559 0.167933 LBFGSLineSearch: 7 15:36:53 791.867108 0.182566 LBFGSLineSearch: 8 15:36:57 791.866638 0.172083 LBFGSLineSearch: 9 15:37:01 791.865442 0.114050 LBFGSLineSearch: 10 15:37:04 791.865261 0.065800 LBFGSLineSearch: 11 15:37:06 791.865194 0.084478 LBFGSLineSearch: 12 15:37:10 791.865113 0.056962 LBFGSLineSearch: 13 15:37:13 791.865067 0.036123 LBFGSLineSearch: 14 15:37:15 791.865046 0.007905 LBFGSLineSearch: 15 15:37:18 791.865045 0.004114 LBFGSLineSearch: 16 15:37:20 791.865044 0.000912 LBFGSLineSearch: 17 15:37:23 791.865044 0.000111 LBFGSLineSearch: 18 15:37:28 791.865044 0.000001 Minimization converged after 18 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:37:37 900.751769 7.777623 LBFGSLineSearch: 1 15:37:38 899.938200 0.596762 LBFGSLineSearch: 2 15:37:41 899.936706 0.300923 LBFGSLineSearch: 3 15:37:44 899.936185 0.213709 LBFGSLineSearch: 4 15:37:48 899.935876 0.231052 LBFGSLineSearch: 5 15:37:50 899.935418 0.172797 LBFGSLineSearch: 6 15:37:53 899.935115 0.173484 LBFGSLineSearch: 7 15:37:56 899.934725 0.174929 LBFGSLineSearch: 8 15:38:02 899.934314 0.181156 LBFGSLineSearch: 9 15:38:06 899.933159 0.134381 LBFGSLineSearch: 10 15:38:09 899.932944 0.078606 LBFGSLineSearch: 11 15:38:13 899.932863 0.050859 LBFGSLineSearch: 12 15:38:16 899.932823 0.041323 LBFGSLineSearch: 13 15:38:20 899.932804 0.034918 LBFGSLineSearch: 14 15:38:22 899.932786 0.011550 LBFGSLineSearch: 15 15:38:25 899.932783 0.003030 LBFGSLineSearch: 16 15:38:27 899.932783 0.001520 LBFGSLineSearch: 17 15:38:29 899.932783 0.000143 LBFGSLineSearch: 18 15:38:33 899.932783 0.000005 Minimization converged after 18 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:38:42 1020.347191 8.601030 LBFGSLineSearch: 1 15:38:45 1019.424141 0.630752 LBFGSLineSearch: 2 15:38:48 1019.422561 0.323064 LBFGSLineSearch: 3 15:38:53 1019.421959 0.254361 LBFGSLineSearch: 4 15:38:58 1019.421555 0.286734 LBFGSLineSearch: 5 15:39:01 1019.420956 0.190573 LBFGSLineSearch: 6 15:39:04 1019.420602 0.195800 LBFGSLineSearch: 7 15:39:08 1019.420188 0.203591 LBFGSLineSearch: 8 15:39:10 1019.419744 0.216113 LBFGSLineSearch: 9 15:39:13 1019.418466 0.162198 LBFGSLineSearch: 10 15:39:17 1019.418183 0.106607 LBFGSLineSearch: 11 15:39:21 1019.418023 0.070349 LBFGSLineSearch: 12 15:39:28 1019.417967 0.041869 LBFGSLineSearch: 13 15:39:32 1019.417949 0.036881 LBFGSLineSearch: 14 15:39:36 1019.417928 0.014023 LBFGSLineSearch: 15 15:39:39 1019.417923 0.002987 LBFGSLineSearch: 16 15:39:42 1019.417923 0.001464 LBFGSLineSearch: 17 15:39:46 1019.417923 0.000079 LBFGSLineSearch: 18 15:39:48 1019.417923 0.000002 Minimization converged after 18 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:39:56 1152.529085 9.507941 LBFGSLineSearch: 1 15:39:59 1151.485409 0.667797 LBFGSLineSearch: 2 15:40:03 1151.483722 0.343660 LBFGSLineSearch: 3 15:40:07 1151.483040 0.303859 LBFGSLineSearch: 4 15:40:10 1151.482555 0.334923 LBFGSLineSearch: 5 15:40:15 1151.481872 0.183902 LBFGSLineSearch: 6 15:40:19 1151.481496 0.193670 LBFGSLineSearch: 7 15:40:22 1151.481116 0.210856 LBFGSLineSearch: 8 15:40:26 1151.480739 0.231393 LBFGSLineSearch: 9 15:40:30 1151.479535 0.205915 LBFGSLineSearch: 10 15:40:34 1151.479196 0.144255 LBFGSLineSearch: 11 15:40:39 1151.478917 0.091934 LBFGSLineSearch: 12 15:40:43 1151.478841 0.038363 LBFGSLineSearch: 13 15:40:46 1151.478823 0.033647 LBFGSLineSearch: 14 15:40:49 1151.478805 0.014371 LBFGSLineSearch: 15 15:40:54 1151.478801 0.002801 LBFGSLineSearch: 16 15:40:57 1151.478800 0.001314 LBFGSLineSearch: 17 15:41:01 1151.478800 0.000058 LBFGSLineSearch: 18 15:41:07 1151.478800 0.000001 Minimization converged after 18 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:41:15 1298.575835 10.506931 LBFGSLineSearch: 1 15:41:19 1297.395078 0.723916 LBFGSLineSearch: 2 15:41:21 1297.393489 0.353596 LBFGSLineSearch: 3 15:41:25 1297.392928 0.253424 LBFGSLineSearch: 4 15:41:27 1297.392618 0.212589 LBFGSLineSearch: 5 15:41:32 1297.392198 0.198188 LBFGSLineSearch: 6 15:41:35 1297.391831 0.164945 LBFGSLineSearch: 7 15:41:38 1297.391318 0.208832 LBFGSLineSearch: 8 15:41:40 1297.390847 0.180799 LBFGSLineSearch: 9 15:41:43 1297.389712 0.164501 LBFGSLineSearch: 10 15:41:48 1297.389466 0.097507 LBFGSLineSearch: 11 15:41:52 1297.389396 0.073674 LBFGSLineSearch: 12 15:41:57 1297.389335 0.041362 LBFGSLineSearch: 13 15:42:00 1297.389306 0.037628 LBFGSLineSearch: 14 15:42:02 1297.389294 0.011622 LBFGSLineSearch: 15 15:42:05 1297.389292 0.002767 LBFGSLineSearch: 16 15:42:07 1297.389292 0.000995 LBFGSLineSearch: 17 15:42:12 1297.389292 0.000080 LBFGSLineSearch: 18 15:42:19 1297.389292 0.000000 Minimization converged after 18 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:42:28 1459.884770 11.606820 LBFGSLineSearch: 1 15:42:31 1458.554598 0.769866 LBFGSLineSearch: 2 15:42:35 1458.552968 0.375789 LBFGSLineSearch: 3 15:42:39 1458.552370 0.274818 LBFGSLineSearch: 4 15:42:41 1458.552028 0.246299 LBFGSLineSearch: 5 15:42:44 1458.551549 0.212433 LBFGSLineSearch: 6 15:42:48 1458.551124 0.181658 LBFGSLineSearch: 7 15:42:53 1458.550540 0.227722 LBFGSLineSearch: 8 15:42:57 1458.550011 0.195621 LBFGSLineSearch: 9 15:43:03 1458.548816 0.180736 LBFGSLineSearch: 10 15:43:06 1458.548548 0.126402 LBFGSLineSearch: 11 15:43:08 1458.548453 0.089275 LBFGSLineSearch: 12 15:43:13 1458.548380 0.043912 LBFGSLineSearch: 13 15:43:17 1458.548353 0.037510 LBFGSLineSearch: 14 15:43:20 1458.548341 0.013581 LBFGSLineSearch: 15 15:43:22 1458.548338 0.002092 LBFGSLineSearch: 16 15:43:24 1458.548338 0.000697 LBFGSLineSearch: 17 15:43:27 1458.548338 0.000030 LBFGSLineSearch: 18 15:43:29 1458.548338 0.000000 Minimization converged after 18 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:43:37 1637.997919 12.817827 LBFGSLineSearch: 1 15:43:41 1636.499196 0.813585 LBFGSLineSearch: 2 15:43:45 1636.497510 0.399755 LBFGSLineSearch: 3 15:43:48 1636.496858 0.303262 LBFGSLineSearch: 4 15:43:52 1636.496467 0.291715 LBFGSLineSearch: 5 15:43:56 1636.495922 0.220607 LBFGSLineSearch: 6 15:43:58 1636.495435 0.194937 LBFGSLineSearch: 7 15:43:59 1636.494803 0.245433 LBFGSLineSearch: 8 15:44:00 1636.494244 0.224217 LBFGSLineSearch: 9 15:44:01 1636.493001 0.213635 LBFGSLineSearch: 10 15:44:03 1636.492695 0.167583 LBFGSLineSearch: 11 15:44:07 1636.492535 0.106689 LBFGSLineSearch: 12 15:44:11 1636.492428 0.052665 LBFGSLineSearch: 13 15:44:15 1636.492396 0.036205 LBFGSLineSearch: 14 15:44:16 1636.492384 0.013896 LBFGSLineSearch: 15 15:44:17 1636.492382 0.001707 LBFGSLineSearch: 16 15:44:19 1636.492382 0.000428 LBFGSLineSearch: 17 15:44:23 1636.492382 0.000013 LBFGSLineSearch: 18 15:44:24 1636.492382 0.000000 Minimization converged after 18 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:44:33 1834.601013 14.150617 LBFGSLineSearch: 1 15:44:34 1832.917038 0.855805 LBFGSLineSearch: 2 15:44:35 1832.915322 0.422148 LBFGSLineSearch: 3 15:44:39 1832.914644 0.325066 LBFGSLineSearch: 4 15:44:42 1832.914232 0.331509 LBFGSLineSearch: 5 15:44:46 1832.913674 0.244256 LBFGSLineSearch: 6 15:44:48 1832.913191 0.197944 LBFGSLineSearch: 7 15:44:51 1832.912586 0.247204 LBFGSLineSearch: 8 15:44:54 1832.912065 0.243903 LBFGSLineSearch: 9 15:44:57 1832.910904 0.255768 LBFGSLineSearch: 10 15:45:01 1832.910588 0.210783 LBFGSLineSearch: 11 15:45:04 1832.910357 0.131338 LBFGSLineSearch: 12 15:45:07 1832.910207 0.063791 LBFGSLineSearch: 13 15:45:09 1832.910165 0.036765 LBFGSLineSearch: 14 15:45:11 1832.910153 0.014211 LBFGSLineSearch: 15 15:45:14 1832.910150 0.001265 LBFGSLineSearch: 16 15:45:18 1832.910150 0.000261 LBFGSLineSearch: 17 15:45:21 1832.910150 0.000005 Minimization converged after 17 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:45:30 2051.555268 15.617509 LBFGSLineSearch: 1 15:45:32 2049.663509 0.912711 LBFGSLineSearch: 2 15:45:36 2049.661745 0.447701 LBFGSLineSearch: 3 15:45:39 2049.661035 0.349285 LBFGSLineSearch: 4 15:45:42 2049.660604 0.352373 LBFGSLineSearch: 5 15:45:47 2049.660043 0.265666 LBFGSLineSearch: 6 15:45:50 2049.659540 0.210231 LBFGSLineSearch: 7 15:45:54 2049.658928 0.255212 LBFGSLineSearch: 8 15:45:59 2049.658406 0.248065 LBFGSLineSearch: 9 15:46:02 2049.657291 0.271548 LBFGSLineSearch: 10 15:46:06 2049.656965 0.229504 LBFGSLineSearch: 11 15:46:09 2049.656737 0.138524 LBFGSLineSearch: 12 15:46:11 2049.656561 0.075529 LBFGSLineSearch: 13 15:46:13 2049.656510 0.030474 LBFGSLineSearch: 14 15:46:16 2049.656502 0.010669 LBFGSLineSearch: 15 15:46:17 2049.656501 0.000856 LBFGSLineSearch: 16 15:46:20 2049.656501 0.000074 LBFGSLineSearch: 17 15:46:23 2049.656501 0.000000 Minimization converged after 17 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:46:31 2290.895966 17.231390 LBFGSLineSearch: 1 15:46:35 2288.774192 0.960857 LBFGSLineSearch: 2 15:46:38 2288.772428 0.471471 LBFGSLineSearch: 3 15:46:42 2288.771699 0.371513 LBFGSLineSearch: 4 15:46:45 2288.771249 0.380148 LBFGSLineSearch: 5 15:46:48 2288.770663 0.290361 LBFGSLineSearch: 6 15:46:51 2288.770119 0.231745 LBFGSLineSearch: 7 15:46:52 2288.769457 0.275501 LBFGSLineSearch: 8 15:46:54 2288.768893 0.260762 LBFGSLineSearch: 9 15:46:56 2288.767741 0.287675 LBFGSLineSearch: 10 15:46:59 2288.767413 0.247372 LBFGSLineSearch: 11 15:47:01 2288.767179 0.153882 LBFGSLineSearch: 12 15:47:03 2288.766979 0.084065 LBFGSLineSearch: 13 15:47:05 2288.766923 0.027643 LBFGSLineSearch: 14 15:47:07 2288.766916 0.009502 LBFGSLineSearch: 15 15:47:09 2288.766915 0.000164 LBFGSLineSearch: 16 15:47:12 2288.766915 0.000003 Minimization converged after 16 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:47:21 2554.862038 19.006795 LBFGSLineSearch: 1 15:47:24 2552.486722 1.026747 LBFGSLineSearch: 2 15:47:27 2552.484903 0.503057 LBFGSLineSearch: 3 15:47:30 2552.484131 0.401266 LBFGSLineSearch: 4 15:47:33 2552.483656 0.410036 LBFGSLineSearch: 5 15:47:36 2552.483052 0.318698 LBFGSLineSearch: 6 15:47:40 2552.482489 0.248614 LBFGSLineSearch: 7 15:47:44 2552.481811 0.286627 LBFGSLineSearch: 8 15:47:48 2552.481227 0.267135 LBFGSLineSearch: 9 15:47:52 2552.480051 0.302070 LBFGSLineSearch: 10 15:47:55 2552.479715 0.264173 LBFGSLineSearch: 11 15:48:00 2552.479498 0.172962 LBFGSLineSearch: 12 15:48:04 2552.479276 0.097234 LBFGSLineSearch: 13 15:48:08 2552.479205 0.024516 LBFGSLineSearch: 14 15:48:12 2552.479199 0.008447 LBFGSLineSearch: 15 15:48:14 2552.479198 0.000016 LBFGSLineSearch: 16 15:48:20 2552.479198 0.000000 Minimization converged after 16 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:48:28 2845.913917 20.959623 LBFGSLineSearch: 1 15:48:30 2843.256271 1.080265 LBFGSLineSearch: 2 15:48:34 2843.254444 0.529480 LBFGSLineSearch: 3 15:48:37 2843.253648 0.427953 LBFGSLineSearch: 4 15:48:39 2843.253158 0.433983 LBFGSLineSearch: 5 15:48:41 2843.252552 0.343603 LBFGSLineSearch: 6 15:48:43 2843.251962 0.268178 LBFGSLineSearch: 7 15:48:45 2843.251255 0.303281 LBFGSLineSearch: 8 15:48:49 2843.250643 0.272912 LBFGSLineSearch: 9 15:48:52 2843.249436 0.311330 LBFGSLineSearch: 10 15:48:55 2843.249093 0.274154 LBFGSLineSearch: 11 15:48:58 2843.248903 0.191260 LBFGSLineSearch: 12 15:49:00 2843.248675 0.111580 LBFGSLineSearch: 13 15:49:04 2843.248585 0.020966 LBFGSLineSearch: 14 15:49:07 2843.248580 0.007197 LBFGSLineSearch: 15 15:49:09 2843.248579 0.000169 LBFGSLineSearch: 16 15:49:14 2843.248579 0.000002 Minimization converged after 16 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:49:23 3166.751992 23.107387 LBFGSLineSearch: 1 15:49:25 3163.780736 1.134667 LBFGSLineSearch: 2 15:49:27 3163.778886 0.558517 LBFGSLineSearch: 3 15:49:30 3163.778071 0.455099 LBFGSLineSearch: 4 15:49:30 3163.777562 0.463806 LBFGSLineSearch: 5 15:49:32 3163.776953 0.374809 LBFGSLineSearch: 6 15:49:35 3163.776344 0.286956 LBFGSLineSearch: 7 15:49:38 3163.775617 0.321591 LBFGSLineSearch: 8 15:49:42 3163.774985 0.277556 LBFGSLineSearch: 9 15:49:47 3163.773754 0.321346 LBFGSLineSearch: 10 15:49:51 3163.773405 0.286282 LBFGSLineSearch: 11 15:49:54 3163.773230 0.201903 LBFGSLineSearch: 12 15:49:56 3163.772990 0.117655 LBFGSLineSearch: 13 15:50:01 3163.772901 0.017553 LBFGSLineSearch: 14 15:50:04 3163.772896 0.006370 LBFGSLineSearch: 15 15:50:06 3163.772896 0.000398 LBFGSLineSearch: 16 15:50:09 3163.772896 0.000001 Minimization converged after 16 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:50:16 3520.337670 25.468912 LBFGSLineSearch: 1 15:50:20 3517.021572 1.204525 LBFGSLineSearch: 2 15:50:23 3517.019695 0.589603 LBFGSLineSearch: 3 15:50:24 3517.018842 0.492267 LBFGSLineSearch: 4 15:50:26 3517.018310 0.496365 LBFGSLineSearch: 5 15:50:28 3517.017689 0.404324 LBFGSLineSearch: 6 15:50:31 3517.017072 0.301382 LBFGSLineSearch: 7 15:50:34 3517.016351 0.331941 LBFGSLineSearch: 8 15:50:37 3517.015694 0.287691 LBFGSLineSearch: 9 15:50:39 3517.014419 0.325601 LBFGSLineSearch: 10 15:50:41 3517.014065 0.291776 LBFGSLineSearch: 11 15:50:44 3517.013913 0.222018 LBFGSLineSearch: 12 15:50:46 3517.013688 0.134436 LBFGSLineSearch: 13 15:50:50 3517.013570 0.025760 LBFGSLineSearch: 14 15:50:51 3517.013563 0.008230 LBFGSLineSearch: 15 15:50:53 3517.013563 0.000590 LBFGSLineSearch: 16 15:50:55 3517.013563 0.000011 LBFGSLineSearch: 17 15:50:59 3517.013563 0.000011 LBFGSLineSearch: 18 15:51:02 3517.013563 0.000000 Minimization converged after 18 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:51:10 3909.930613 28.065504 LBFGSLineSearch: 1 15:51:14 3906.233976 1.270628 LBFGSLineSearch: 2 15:51:17 3906.232078 0.624217 LBFGSLineSearch: 3 15:51:20 3906.231196 0.525579 LBFGSLineSearch: 4 15:51:24 3906.230644 0.529231 LBFGSLineSearch: 5 15:51:26 3906.230013 0.436366 LBFGSLineSearch: 6 15:51:28 3906.229372 0.332330 LBFGSLineSearch: 7 15:51:31 3906.228627 0.352700 LBFGSLineSearch: 8 15:51:34 3906.227933 0.309311 LBFGSLineSearch: 9 15:51:34 3906.226593 0.329474 LBFGSLineSearch: 10 15:51:38 3906.226221 0.294410 LBFGSLineSearch: 11 15:51:41 3906.226091 0.236044 LBFGSLineSearch: 12 15:51:43 3906.225878 0.141535 LBFGSLineSearch: 13 15:51:45 3906.225748 0.037381 LBFGSLineSearch: 14 15:51:47 3906.225739 0.012167 LBFGSLineSearch: 15 15:51:51 3906.225738 0.000367 LBFGSLineSearch: 16 15:51:55 3906.225738 0.000008 Minimization converged after 16 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:52:02 4339.109826 30.920289 LBFGSLineSearch: 1 15:52:04 4334.989859 1.347313 LBFGSLineSearch: 2 15:52:07 4334.987940 0.661989 LBFGSLineSearch: 3 15:52:10 4334.987026 0.562867 LBFGSLineSearch: 4 15:52:13 4334.986450 0.563340 LBFGSLineSearch: 5 15:52:14 4334.985796 0.469032 LBFGSLineSearch: 6 15:52:14 4334.985118 0.364290 LBFGSLineSearch: 7 15:52:18 4334.984329 0.377805 LBFGSLineSearch: 8 15:52:21 4334.983575 0.336166 LBFGSLineSearch: 9 15:52:24 4334.982129 0.342519 LBFGSLineSearch: 10 15:52:28 4334.981735 0.296721 LBFGSLineSearch: 11 15:52:33 4334.981624 0.247560 LBFGSLineSearch: 12 15:52:36 4334.981433 0.146568 LBFGSLineSearch: 13 15:52:38 4334.981294 0.049347 LBFGSLineSearch: 14 15:52:40 4334.981282 0.018812 LBFGSLineSearch: 15 15:52:41 4334.981280 0.000068 LBFGSLineSearch: 16 15:52:45 4334.981280 0.000000 Minimization converged after 16 steps. Pressure: 9195.209099750382 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:52:54 4811.796585 34.058236 LBFGSLineSearch: 1 15:52:57 4807.208454 1.421032 LBFGSLineSearch: 2 15:53:01 4807.206504 0.696171 LBFGSLineSearch: 3 15:53:04 4807.205568 0.597709 LBFGSLineSearch: 4 15:53:07 4807.204980 0.605824 LBFGSLineSearch: 5 15:53:10 4807.204332 0.509414 LBFGSLineSearch: 6 15:53:12 4807.203645 0.401936 LBFGSLineSearch: 7 15:53:13 4807.202866 0.388119 LBFGSLineSearch: 8 15:53:16 4807.202114 0.351622 LBFGSLineSearch: 9 15:53:20 4807.200662 0.365809 LBFGSLineSearch: 10 15:53:23 4807.200250 0.298275 LBFGSLineSearch: 11 15:53:27 4807.200141 0.255685 LBFGSLineSearch: 12 15:53:30 4807.199941 0.156205 LBFGSLineSearch: 13 15:53:33 4807.199804 0.074722 LBFGSLineSearch: 14 15:53:35 4807.199783 0.027351 LBFGSLineSearch: 15 15:53:37 4807.199780 0.000008 Minimization converged after 15 steps. Pressure: 10321.273240738801 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:53:45 5332.297404 37.506981 LBFGSLineSearch: 1 15:53:47 5327.193953 1.497093 LBFGSLineSearch: 2 15:53:51 5327.192008 0.737225 LBFGSLineSearch: 3 15:53:53 5327.191047 0.638739 LBFGSLineSearch: 4 15:53:53 5327.190441 0.642551 LBFGSLineSearch: 5 15:53:54 5327.189800 0.546823 LBFGSLineSearch: 6 15:53:56 5327.189123 0.441977 LBFGSLineSearch: 7 15:53:57 5327.188361 0.406168 LBFGSLineSearch: 8 15:54:01 5327.187592 0.374961 LBFGSLineSearch: 9 15:54:05 5327.186088 0.390017 LBFGSLineSearch: 10 15:54:10 5327.185662 0.291149 LBFGSLineSearch: 11 15:54:12 5327.185577 0.257621 LBFGSLineSearch: 12 15:54:15 5327.185422 0.174682 LBFGSLineSearch: 13 15:54:20 5327.185277 0.082140 LBFGSLineSearch: 14 15:54:22 5327.185256 0.035215 LBFGSLineSearch: 15 15:54:24 5327.185251 0.000370 LBFGSLineSearch: 16 15:54:27 5327.185251 0.000004 Minimization converged after 16 steps. Pressure: 11585.237502960379 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:54:34 5905.346137 41.297204 LBFGSLineSearch: 1 15:54:38 5899.674847 1.588696 LBFGSLineSearch: 2 15:54:43 5899.672876 0.780926 LBFGSLineSearch: 3 15:54:46 5899.671884 0.685169 LBFGSLineSearch: 4 15:54:49 5899.671259 0.682782 LBFGSLineSearch: 5 15:54:52 5899.670605 0.585890 LBFGSLineSearch: 6 15:54:55 5899.669908 0.482336 LBFGSLineSearch: 7 15:54:59 5899.669122 0.429838 LBFGSLineSearch: 8 15:55:01 5899.668307 0.406225 LBFGSLineSearch: 9 15:55:03 5899.666685 0.420707 LBFGSLineSearch: 10 15:55:05 5899.666237 0.283322 LBFGSLineSearch: 11 15:55:07 5899.666161 0.257231 LBFGSLineSearch: 12 15:55:10 5899.666032 0.187818 LBFGSLineSearch: 13 15:55:12 5899.665891 0.096457 LBFGSLineSearch: 14 15:55:15 5899.665865 0.040863 LBFGSLineSearch: 15 15:55:18 5899.665859 0.001321 LBFGSLineSearch: 16 15:55:20 5899.665859 0.000045 LBFGSLineSearch: 17 15:55:22 5899.665859 0.000000 Minimization converged after 17 steps. Pressure: 13003.989417723476 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:55:31 6536.138687 45.462345 LBFGSLineSearch: 1 15:55:34 6529.837852 1.673469 LBFGSLineSearch: 2 15:55:37 6529.835871 0.822281 LBFGSLineSearch: 3 15:55:41 6529.834852 0.730249 LBFGSLineSearch: 4 15:55:43 6529.834210 0.725585 LBFGSLineSearch: 5 15:55:47 6529.833557 0.628740 LBFGSLineSearch: 6 15:55:51 6529.832858 0.525865 LBFGSLineSearch: 7 15:55:54 6529.832084 0.445042 LBFGSLineSearch: 8 15:55:58 6529.831251 0.431984 LBFGSLineSearch: 9 15:56:02 6529.829577 0.456616 LBFGSLineSearch: 10 15:56:06 6529.829105 0.273258 LBFGSLineSearch: 11 15:56:09 6529.829038 0.252342 LBFGSLineSearch: 12 15:56:13 6529.828925 0.191378 LBFGSLineSearch: 13 15:56:17 6529.828795 0.110516 LBFGSLineSearch: 14 15:56:19 6529.828766 0.043195 LBFGSLineSearch: 15 15:56:22 6529.828760 0.002817 LBFGSLineSearch: 16 15:56:27 6529.828760 0.000194 LBFGSLineSearch: 17 15:56:30 6529.828760 0.000000 Minimization converged after 17 steps. Pressure: 14596.484598011308 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:56:38 7230.372590 50.038845 LBFGSLineSearch: 1 15:56:40 7223.378643 1.766552 LBFGSLineSearch: 2 15:56:44 7223.376647 0.871833 LBFGSLineSearch: 3 15:56:46 7223.375604 0.778237 LBFGSLineSearch: 4 15:56:50 7223.374942 0.778458 LBFGSLineSearch: 5 15:56:53 7223.374276 0.678327 LBFGSLineSearch: 6 15:56:57 7223.373547 0.574426 LBFGSLineSearch: 7 15:56:59 7223.372748 0.477927 LBFGSLineSearch: 8 15:57:02 7223.371872 0.464302 LBFGSLineSearch: 9 15:57:04 7223.370106 0.492040 LBFGSLineSearch: 10 15:57:09 7223.369603 0.263257 LBFGSLineSearch: 11 15:57:14 7223.369537 0.250466 LBFGSLineSearch: 12 15:57:17 7223.369431 0.191309 LBFGSLineSearch: 13 15:57:21 7223.369309 0.122835 LBFGSLineSearch: 14 15:57:23 7223.369277 0.040798 LBFGSLineSearch: 15 15:57:25 7223.369271 0.005340 LBFGSLineSearch: 16 15:57:27 7223.369271 0.001773 LBFGSLineSearch: 17 15:57:29 7223.369271 0.000018 LBFGSLineSearch: 18 15:57:37 7223.369271 0.000015 LBFGSLineSearch: 19 15:57:50 7223.369271 0.000015 LBFGSLineSearch: 20 15:57:55 7223.369271 0.000015 LBFGSLineSearch: 21 15:58:05 7223.369271 0.000013 LBFGSLineSearch: 22 15:58:14 7223.369271 0.000013 LBFGSLineSearch: 23 15:58:22 7223.369271 0.000013 LBFGSLineSearch: 24 15:58:33 7223.369271 0.000013 LBFGSLineSearch: 25 15:58:49 7223.369271 0.000013 LBFGSLineSearch: 26 15:58:57 7223.369271 0.000013 LBFGSLineSearch: 27 15:59:04 7223.369271 0.000013 LBFGSLineSearch: 28 15:59:10 7223.369271 0.000013 LBFGSLineSearch: 29 15:59:18 7223.369271 0.000013 LBFGSLineSearch: 30 15:59:28 7223.369271 0.000013 LBFGSLineSearch: 31 15:59:33 7223.369271 0.000000 Minimization converged after 31 steps. Pressure: 16383.999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:59:40 7994.308622 55.067097 LBFGSLineSearch: 1 15:59:45 7986.550072 1.864183 LBFGSLineSearch: 2 15:59:49 7986.548060 0.919226 LBFGSLineSearch: 3 15:59:56 7986.546989 0.831245 LBFGSLineSearch: 4 16:00:01 7986.546308 0.829057 LBFGSLineSearch: 5 16:00:03 7986.545637 0.727252 LBFGSLineSearch: 6 16:00:07 7986.544903 0.625612 LBFGSLineSearch: 7 16:00:12 7986.544108 0.505528 LBFGSLineSearch: 8 16:00:14 7986.543206 0.496974 LBFGSLineSearch: 9 16:00:16 7986.541364 0.529431 LBFGSLineSearch: 10 16:00:19 7986.540834 0.247344 LBFGSLineSearch: 11 16:00:24 7986.540774 0.238916 LBFGSLineSearch: 12 16:00:28 7986.540679 0.184836 LBFGSLineSearch: 13 16:00:33 7986.540570 0.127074 LBFGSLineSearch: 14 16:00:37 7986.540539 0.035044 LBFGSLineSearch: 15 16:00:40 7986.540534 0.008376 LBFGSLineSearch: 16 16:00:44 7986.540534 0.002509 LBFGSLineSearch: 17 16:00:46 7986.540534 0.000049 LBFGSLineSearch: 18 16:00:49 7986.540534 0.000000 Minimization converged after 18 steps. Pressure: 18390.418199500764 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:00:58 8834.816193 60.591118 LBFGSLineSearch: 1 16:01:02 8826.215717 1.969342 LBFGSLineSearch: 2 16:01:04 8826.213695 0.973596 LBFGSLineSearch: 3 16:01:07 8826.212597 0.883566 LBFGSLineSearch: 4 16:01:14 8826.211905 0.884893 LBFGSLineSearch: 5 16:01:18 8826.211247 0.781945 LBFGSLineSearch: 6 16:01:22 8826.210524 0.681191 LBFGSLineSearch: 7 16:01:26 8826.209759 0.566098 LBFGSLineSearch: 8 16:01:28 8826.208871 0.522684 LBFGSLineSearch: 9 16:01:32 8826.207005 0.563771 LBFGSLineSearch: 10 16:01:36 8826.206446 0.235978 LBFGSLineSearch: 11 16:01:39 8826.206381 0.228458 LBFGSLineSearch: 12 16:01:43 8826.206279 0.178609 LBFGSLineSearch: 13 16:01:49 8826.206172 0.132256 LBFGSLineSearch: 14 16:01:51 8826.206142 0.030720 LBFGSLineSearch: 15 16:01:53 8826.206138 0.013313 LBFGSLineSearch: 16 16:01:56 8826.206137 0.002579 LBFGSLineSearch: 17 16:01:58 8826.206137 0.000061 LBFGSLineSearch: 18 16:02:01 8826.206137 0.000000 Minimization converged after 18 steps. Pressure: 20642.54648147757 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:02:10 9759.437940 66.659415 LBFGSLineSearch: 1 16:02:12 9749.907438 2.071059 LBFGSLineSearch: 2 16:02:15 9749.905418 1.026244 LBFGSLineSearch: 3 16:02:17 9749.904304 0.938487 LBFGSLineSearch: 4 16:02:21 9749.903602 0.938131 LBFGSLineSearch: 5 16:02:24 9749.902950 0.833393 LBFGSLineSearch: 6 16:02:29 9749.902239 0.735765 LBFGSLineSearch: 7 16:02:31 9749.901498 0.624533 LBFGSLineSearch: 8 16:02:35 9749.900615 0.548519 LBFGSLineSearch: 9 16:02:39 9749.898731 0.597329 LBFGSLineSearch: 10 16:02:42 9749.898158 0.217170 LBFGSLineSearch: 11 16:02:45 9749.898092 0.208155 LBFGSLineSearch: 12 16:02:48 9749.897992 0.165003 LBFGSLineSearch: 13 16:02:54 9749.897889 0.116966 LBFGSLineSearch: 14 16:02:57 9749.897869 0.023408 LBFGSLineSearch: 15 16:03:01 9749.897865 0.016434 LBFGSLineSearch: 16 16:03:04 9749.897864 0.002376 LBFGSLineSearch: 17 16:03:08 9749.897864 0.000072 LBFGSLineSearch: 18 16:03:13 9749.897864 0.000000 Minimization converged after 18 steps. Pressure: 23170.475005920758 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:03:20 10776.449714 73.325132 LBFGSLineSearch: 1 16:03:24 10765.895370 2.196110 LBFGSLineSearch: 2 16:03:29 10765.893334 1.086118 LBFGSLineSearch: 3 16:03:31 10765.892186 1.006419 LBFGSLineSearch: 4 16:03:35 10765.891458 1.002748 LBFGSLineSearch: 5 16:03:41 10765.890784 0.895494 LBFGSLineSearch: 6 16:03:46 10765.890042 0.799407 LBFGSLineSearch: 7 16:03:51 10765.889272 0.691154 LBFGSLineSearch: 8 16:03:56 10765.888323 0.598617 LBFGSLineSearch: 9 16:04:00 10765.886284 0.647434 LBFGSLineSearch: 10 16:04:02 10765.885676 0.202651 LBFGSLineSearch: 11 16:04:05 10765.885614 0.193832 LBFGSLineSearch: 12 16:04:09 10765.885525 0.155187 LBFGSLineSearch: 13 16:04:11 10765.885428 0.103449 LBFGSLineSearch: 14 16:04:15 10765.885415 0.024271 LBFGSLineSearch: 15 16:04:18 10765.885410 0.018156 LBFGSLineSearch: 16 16:04:21 10765.885410 0.002683 LBFGSLineSearch: 17 16:04:24 10765.885410 0.000092 LBFGSLineSearch: 18 16:04:27 10765.885410 0.000000 Minimization converged after 18 steps. Pressure: 26007.978835446953 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:04:36 11894.935925 80.646465 LBFGSLineSearch: 1 16:04:39 11883.252053 2.313824 LBFGSLineSearch: 2 16:04:41 11883.249999 1.145947 LBFGSLineSearch: 3 16:04:44 11883.248832 1.065982 LBFGSLineSearch: 4 16:04:46 11883.248097 1.077105 LBFGSLineSearch: 5 16:04:49 11883.247432 0.967609 LBFGSLineSearch: 6 16:04:52 11883.246693 0.871091 LBFGSLineSearch: 7 16:04:55 11883.245941 0.765832 LBFGSLineSearch: 8 16:04:58 11883.244997 0.629891 LBFGSLineSearch: 9 16:05:00 11883.242943 0.692387 LBFGSLineSearch: 10 16:05:03 11883.242308 0.194227 LBFGSLineSearch: 11 16:05:10 11883.242242 0.186003 LBFGSLineSearch: 12 16:05:15 11883.242143 0.170195 LBFGSLineSearch: 13 16:05:18 11883.242044 0.081964 LBFGSLineSearch: 14 16:05:21 11883.242033 0.033432 LBFGSLineSearch: 15 16:05:24 11883.242032 0.011929 LBFGSLineSearch: 16 16:05:27 11883.242032 0.000269 LBFGSLineSearch: 17 16:05:30 11883.242032 0.000000 Minimization converged after 17 steps. Pressure: 29192.96919602262 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:05:39 13124.861472 88.687103 LBFGSLineSearch: 1 16:05:42 13111.935292 2.435017 LBFGSLineSearch: 2 16:05:46 13111.933246 1.208375 LBFGSLineSearch: 3 16:05:49 13111.932056 1.135532 LBFGSLineSearch: 4 16:05:52 13111.931302 1.147453 LBFGSLineSearch: 5 16:05:55 13111.930624 1.036526 LBFGSLineSearch: 6 16:05:58 13111.929866 0.941093 LBFGSLineSearch: 7 16:06:02 13111.929099 0.839476 LBFGSLineSearch: 8 16:06:06 13111.928108 0.680751 LBFGSLineSearch: 9 16:06:09 13111.925943 0.739298 LBFGSLineSearch: 10 16:06:13 13111.925277 0.224057 LBFGSLineSearch: 11 16:06:17 13111.925211 0.213401 LBFGSLineSearch: 12 16:06:19 13111.925115 0.178429 LBFGSLineSearch: 13 16:06:23 13111.925014 0.054508 LBFGSLineSearch: 14 16:06:27 13111.925009 0.023201 LBFGSLineSearch: 15 16:06:31 13111.925008 0.004350 LBFGSLineSearch: 16 16:06:36 13111.925008 0.000001 Minimization converged after 16 steps. Pressure: 32767.99999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:06:45 14477.172196 97.517657 LBFGSLineSearch: 1 16:06:51 14462.877780 2.575991 LBFGSLineSearch: 2 16:06:53 14462.875721 1.278465 LBFGSLineSearch: 3 16:06:56 14462.874507 1.207457 LBFGSLineSearch: 4 16:07:01 14462.873741 1.216161 LBFGSLineSearch: 5 16:07:05 14462.873067 1.103616 LBFGSLineSearch: 6 16:07:11 14462.872319 1.013024 LBFGSLineSearch: 7 16:07:15 14462.871569 0.917941 LBFGSLineSearch: 8 16:07:20 14462.870581 0.730669 LBFGSLineSearch: 9 16:07:24 14462.868371 0.791664 LBFGSLineSearch: 10 16:07:27 14462.867677 0.267636 LBFGSLineSearch: 11 16:07:30 14462.867607 0.253847 LBFGSLineSearch: 12 16:07:36 14462.867503 0.192843 LBFGSLineSearch: 13 16:07:39 14462.867397 0.021621 LBFGSLineSearch: 14 16:07:42 14462.867394 0.007988 LBFGSLineSearch: 15 16:07:44 14462.867394 0.002020 LBFGSLineSearch: 16 16:07:49 14462.867394 0.000002 Minimization converged after 16 steps. Pressure: 36780.836399001535 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:07:58 15963.877919 107.215037 LBFGSLineSearch: 1 16:08:00 15948.077108 2.717065 LBFGSLineSearch: 2 16:08:06 15948.075037 1.348866 LBFGSLineSearch: 3 16:08:10 15948.073806 1.280699 LBFGSLineSearch: 4 16:08:16 15948.073032 1.304388 LBFGSLineSearch: 5 16:08:19 15948.072368 1.188219 LBFGSLineSearch: 6 16:08:22 15948.071636 1.100033 LBFGSLineSearch: 7 16:08:24 15948.070917 1.008649 LBFGSLineSearch: 8 16:08:29 15948.069941 0.816990 LBFGSLineSearch: 9 16:08:34 15948.067719 0.855848 LBFGSLineSearch: 10 16:08:38 15948.067003 0.330375 LBFGSLineSearch: 11 16:08:41 15948.066929 0.311893 LBFGSLineSearch: 12 16:08:46 15948.066810 0.228357 LBFGSLineSearch: 13 16:08:52 15948.066693 0.057882 LBFGSLineSearch: 14 16:08:55 15948.066688 0.023463 LBFGSLineSearch: 15 16:08:57 15948.066687 0.002846 LBFGSLineSearch: 16 16:09:02 15948.066687 0.000005 Minimization converged after 16 steps. Pressure: 41285.09296295514 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:09:09 17598.157141 117.863607 LBFGSLineSearch: 1 16:09:11 17580.697540 2.864792 LBFGSLineSearch: 2 16:09:15 17580.695469 1.424294 LBFGSLineSearch: 3 16:09:21 17580.694211 1.369144 LBFGSLineSearch: 4 16:09:25 17580.693417 1.396427 LBFGSLineSearch: 5 16:09:28 17580.692744 1.277147 LBFGSLineSearch: 6 16:09:34 17580.692001 1.189975 LBFGSLineSearch: 7 16:09:41 17580.691282 1.102196 LBFGSLineSearch: 8 16:09:46 17580.690279 0.905875 LBFGSLineSearch: 9 16:09:53 17580.687985 0.891026 LBFGSLineSearch: 10 16:10:00 17580.687245 0.390113 LBFGSLineSearch: 11 16:10:04 17580.687167 0.368412 LBFGSLineSearch: 12 16:10:06 17580.687043 0.242490 LBFGSLineSearch: 13 16:10:09 17580.686917 0.099565 LBFGSLineSearch: 14 16:10:12 17580.686909 0.045549 LBFGSLineSearch: 15 16:10:17 17580.686907 0.016005 LBFGSLineSearch: 16 16:10:18 17580.686907 0.003197 LBFGSLineSearch: 17 16:10:24 17580.686907 0.000000 Minimization converged after 17 steps. Pressure: 46340.95001184152 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:10:32 19394.474122 129.556230 LBFGSLineSearch: 1 16:10:35 19375.190309 3.022735 LBFGSLineSearch: 2 16:10:38 19375.188229 1.506456 LBFGSLineSearch: 3 16:10:42 19375.186951 1.454251 LBFGSLineSearch: 4 16:10:47 19375.186143 1.481818 LBFGSLineSearch: 5 16:10:52 19375.185466 1.361210 LBFGSLineSearch: 6 16:10:56 19375.184720 1.279786 LBFGSLineSearch: 7 16:10:59 19375.184004 1.198954 LBFGSLineSearch: 8 16:11:02 19375.182974 1.002685 LBFGSLineSearch: 9 16:11:05 19375.180585 0.957845 LBFGSLineSearch: 10 16:11:10 19375.179803 0.435256 LBFGSLineSearch: 11 16:11:15 19375.179728 0.413768 LBFGSLineSearch: 12 16:11:22 19375.179608 0.290655 LBFGSLineSearch: 13 16:11:25 19375.179482 0.141396 LBFGSLineSearch: 14 16:11:29 19375.179467 0.065004 LBFGSLineSearch: 15 16:11:33 19375.179462 0.000530 LBFGSLineSearch: 16 16:11:38 19375.179462 0.000005 Minimization converged after 16 steps. Pressure: 52015.95767089391 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:11:47 21368.703222 142.394557 LBFGSLineSearch: 1 16:11:50 21347.409625 3.192963 LBFGSLineSearch: 2 16:11:52 21347.407542 1.591290 LBFGSLineSearch: 3 16:11:52 21347.406246 1.542282 LBFGSLineSearch: 4 16:11:53 21347.405428 1.589287 LBFGSLineSearch: 5 16:11:57 21347.404752 1.464615 LBFGSLineSearch: 6 16:12:00 21347.404004 1.383869 LBFGSLineSearch: 7 16:12:04 21347.403296 1.305618 LBFGSLineSearch: 8 16:12:10 21347.402265 1.105007 LBFGSLineSearch: 9 16:12:16 21347.399862 1.013237 LBFGSLineSearch: 10 16:12:19 21347.399062 0.527240 LBFGSLineSearch: 11 16:12:20 21347.398978 0.500187 LBFGSLineSearch: 12 16:12:24 21347.398834 0.359516 LBFGSLineSearch: 13 16:12:28 21347.398689 0.197052 LBFGSLineSearch: 14 16:12:30 21347.398663 0.088963 LBFGSLineSearch: 15 16:12:36 21347.398653 0.000647 LBFGSLineSearch: 16 16:12:39 21347.398653 0.000002 Minimization converged after 16 steps. Pressure: 58385.938392045246 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:12:48 23538.258020 156.489955 LBFGSLineSearch: 1 16:12:54 23514.754054 3.365657 LBFGSLineSearch: 2 16:12:58 23514.751962 1.679905 LBFGSLineSearch: 3 16:13:01 23514.750649 1.634115 LBFGSLineSearch: 4 16:13:05 23514.749823 1.691443 LBFGSLineSearch: 5 16:13:11 23514.749154 1.565007 LBFGSLineSearch: 6 16:13:17 23514.748418 1.489453 LBFGSLineSearch: 7 16:13:23 23514.747730 1.417135 LBFGSLineSearch: 8 16:13:28 23514.746709 1.219062 LBFGSLineSearch: 9 16:13:29 23514.744284 1.078879 LBFGSLineSearch: 10 16:13:31 23514.743450 0.607150 LBFGSLineSearch: 11 16:13:35 23514.743361 0.578641 LBFGSLineSearch: 12 16:13:41 23514.743208 0.431239 LBFGSLineSearch: 13 16:13:46 23514.743047 0.254155 LBFGSLineSearch: 14 16:13:50 23514.743003 0.104646 LBFGSLineSearch: 15 16:13:53 23514.742990 0.001643 LBFGSLineSearch: 16 16:13:56 23514.742990 0.000010 LBFGSLineSearch: 17 16:13:59 23514.742990 0.000000 Minimization converged after 17 steps. Pressure: 65535.99999999998 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:14:07 25922.251381 171.964885 LBFGSLineSearch: 1 16:14:08 25896.316308 3.550446 LBFGSLineSearch: 2 16:14:12 25896.314213 1.775736 LBFGSLineSearch: 3 16:14:16 25896.312876 1.742411 LBFGSLineSearch: 4 16:14:19 25896.312035 1.809608 LBFGSLineSearch: 5 16:14:22 25896.311366 1.680271 LBFGSLineSearch: 6 16:14:26 25896.310638 1.606601 LBFGSLineSearch: 7 16:14:31 25896.309970 1.539171 LBFGSLineSearch: 8 16:14:34 25896.308953 1.337349 LBFGSLineSearch: 9 16:14:37 25896.306504 1.134741 LBFGSLineSearch: 10 16:14:43 25896.305658 0.706707 LBFGSLineSearch: 11 16:14:45 25896.305564 0.674222 LBFGSLineSearch: 12 16:14:49 25896.305393 0.513772 LBFGSLineSearch: 13 16:14:52 25896.305219 0.324822 LBFGSLineSearch: 14 16:14:55 25896.305150 0.126721 LBFGSLineSearch: 15 16:14:58 25896.305131 0.001086 LBFGSLineSearch: 16 16:15:02 25896.305131 0.000002 Minimization converged after 16 steps. Pressure: 73561.67279800294 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:15:10 28541.655683 188.953611 LBFGSLineSearch: 1 16:15:13 28513.045115 3.737590 LBFGSLineSearch: 2 16:15:18 28513.043024 1.872411 LBFGSLineSearch: 3 16:15:20 28513.041674 1.847811 LBFGSLineSearch: 4 16:15:23 28513.040820 1.953227 LBFGSLineSearch: 5 16:15:27 28513.040137 1.818644 LBFGSLineSearch: 6 16:15:30 28513.039389 1.745493 LBFGSLineSearch: 7 16:15:34 28513.038701 1.679280 LBFGSLineSearch: 8 16:15:37 28513.037635 1.467992 LBFGSLineSearch: 9 16:15:42 28513.035081 1.214997 LBFGSLineSearch: 10 16:15:45 28513.034203 0.804666 LBFGSLineSearch: 11 16:15:48 28513.034110 0.771457 LBFGSLineSearch: 12 16:15:50 28513.033935 0.607646 LBFGSLineSearch: 13 16:15:53 28513.033748 0.403728 LBFGSLineSearch: 14 16:15:58 28513.033651 0.160318 LBFGSLineSearch: 15 16:16:02 28513.033623 0.001322 LBFGSLineSearch: 16 16:16:05 28513.033623 0.000003 Minimization converged after 16 steps. Pressure: 82570.1859259103 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:16:12 31419.479992 207.603312 LBFGSLineSearch: 1 16:16:17 31387.929329 3.947734 LBFGSLineSearch: 2 16:16:21 31387.927226 1.978632 LBFGSLineSearch: 3 16:16:25 31387.925857 1.959286 LBFGSLineSearch: 4 16:16:29 31387.925000 2.069623 LBFGSLineSearch: 5 16:16:33 31387.924330 1.931103 LBFGSLineSearch: 6 16:16:37 31387.923599 1.865831 LBFGSLineSearch: 7 16:16:40 31387.922942 1.811721 LBFGSLineSearch: 8 16:16:43 31387.921902 1.608239 LBFGSLineSearch: 9 16:16:47 31387.919346 1.276420 LBFGSLineSearch: 10 16:16:51 31387.918442 0.899415 LBFGSLineSearch: 11 16:16:55 31387.918346 0.864415 LBFGSLineSearch: 12 16:16:58 31387.918165 0.698027 LBFGSLineSearch: 13 16:17:04 31387.917964 0.494950 LBFGSLineSearch: 14 16:17:09 31387.917821 0.152691 LBFGSLineSearch: 15 16:17:13 31387.917794 0.002526 LBFGSLineSearch: 16 16:17:19 31387.917794 0.000008 Minimization converged after 16 steps. Pressure: 92681.90002368305 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:17:26 34580.979448 228.075833 LBFGSLineSearch: 1 16:17:28 34546.194853 4.167362 LBFGSLineSearch: 2 16:17:32 34546.192745 2.092669 LBFGSLineSearch: 3 16:17:36 34546.191356 2.081821 LBFGSLineSearch: 4 16:17:38 34546.190486 2.219297 LBFGSLineSearch: 5 16:17:41 34546.189812 2.078979 LBFGSLineSearch: 6 16:17:45 34546.189077 2.017620 LBFGSLineSearch: 7 16:17:50 34546.188421 1.964726 LBFGSLineSearch: 8 16:17:55 34546.187364 1.757506 LBFGSLineSearch: 9 16:17:57 34546.184752 1.361261 LBFGSLineSearch: 10 16:17:59 34546.183824 1.018177 LBFGSLineSearch: 11 16:18:03 34546.183726 0.981396 LBFGSLineSearch: 12 16:18:06 34546.183531 0.804414 LBFGSLineSearch: 13 16:18:09 34546.183318 0.596563 LBFGSLineSearch: 14 16:18:13 34546.183125 0.168644 LBFGSLineSearch: 15 16:18:16 34546.183093 0.002095 LBFGSLineSearch: 16 16:18:20 34546.183093 0.000004 Minimization converged after 16 steps. Pressure: 104031.91534178784 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:18:27 38053.861078 250.548428 LBFGSLineSearch: 1 16:18:32 38015.521749 4.395263 LBFGSLineSearch: 2 16:18:35 38015.519638 2.214139 LBFGSLineSearch: 3 16:18:37 38015.518230 2.212553 LBFGSLineSearch: 4 16:18:41 38015.517350 2.380821 LBFGSLineSearch: 5 16:18:45 38015.516678 2.236530 LBFGSLineSearch: 6 16:18:47 38015.515948 2.177940 LBFGSLineSearch: 7 16:18:50 38015.515306 2.129837 LBFGSLineSearch: 8 16:18:53 38015.514250 1.919494 LBFGSLineSearch: 9 16:18:56 38015.511608 1.450796 LBFGSLineSearch: 10 16:19:01 38015.510655 1.152782 LBFGSLineSearch: 11 16:19:05 38015.510554 1.113330 LBFGSLineSearch: 12 16:19:08 38015.510353 0.931584 LBFGSLineSearch: 13 16:19:12 38015.510124 0.706340 LBFGSLineSearch: 14 16:19:15 38015.509883 0.217819 LBFGSLineSearch: 15 16:19:17 38015.509836 0.002604 LBFGSLineSearch: 16 16:19:20 38015.509836 0.000004 Minimization converged after 16 steps. Pressure: 116771.87678409049 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:19:28 41868.525975 275.215438 LBFGSLineSearch: 1 16:19:32 41826.321437 10.009709 LBFGSLineSearch: 2 16:19:33 41826.318974 9.923927 LBFGSLineSearch: 3 16:19:36 41826.316848 9.985074 LBFGSLineSearch: 4 16:19:40 41826.314955 10.563184 LBFGSLineSearch: 5 16:19:43 41826.312169 10.017193 LBFGSLineSearch: 6 16:19:46 41826.307755 9.445825 LBFGSLineSearch: 7 16:19:49 41826.302661 8.730341 LBFGSLineSearch: 8 16:19:53 41826.292901 6.899433 LBFGSLineSearch: 9 16:19:55 41826.275715 4.353159 LBFGSLineSearch: 10 16:19:59 41826.271485 4.057283 LBFGSLineSearch: 11 16:20:03 41826.270629 3.907863 LBFGSLineSearch: 12 16:20:08 41826.268191 2.959707 LBFGSLineSearch: 13 16:20:12 41826.265749 2.203427 LBFGSLineSearch: 14 16:20:17 41826.261787 0.183154 LBFGSLineSearch: 15 16:20:22 41826.261729 0.072076 LBFGSLineSearch: 16 16:20:25 41826.261727 0.000676 LBFGSLineSearch: 17 16:20:28 41826.261727 0.000001 Minimization converged after 17 steps. Pressure: 131071.99999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:20:35 46058.320315 302.289899 LBFGSLineSearch: 1 16:20:39 46011.825823 10.896940 LBFGSLineSearch: 2 16:20:42 46011.823360 10.814304 LBFGSLineSearch: 3 16:20:46 46011.821228 10.877777 LBFGSLineSearch: 4 16:20:49 46011.819350 11.486954 LBFGSLineSearch: 5 16:20:52 46011.816624 10.944644 LBFGSLineSearch: 6 16:20:54 46011.812279 10.397335 LBFGSLineSearch: 7 16:20:56 46011.807241 9.705204 LBFGSLineSearch: 8 16:20:58 46011.797158 7.820765 LBFGSLineSearch: 9 16:21:01 46011.778575 5.043960 LBFGSLineSearch: 10 16:21:03 46011.773842 4.784042 LBFGSLineSearch: 11 16:21:06 46011.772895 4.627814 LBFGSLineSearch: 12 16:21:08 46011.770029 3.559207 LBFGSLineSearch: 13 16:21:11 46011.766928 2.628467 LBFGSLineSearch: 14 16:21:14 46011.761836 0.214242 LBFGSLineSearch: 15 16:21:17 46011.761764 0.085715 LBFGSLineSearch: 16 16:21:20 46011.761761 0.000754 LBFGSLineSearch: 17 16:21:22 46011.761761 0.000001 Minimization converged after 17 steps. Pressure: 147123.34559600588 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:21:30 50659.853437 332.006548 LBFGSLineSearch: 1 16:21:33 50608.639158 11.890121 LBFGSLineSearch: 2 16:21:37 50608.636701 11.795289 LBFGSLineSearch: 3 16:21:42 50608.634562 11.875710 LBFGSLineSearch: 4 16:21:47 50608.632691 12.517190 LBFGSLineSearch: 5 16:21:51 50608.630028 11.975482 LBFGSLineSearch: 6 16:21:55 50608.625800 11.450418 LBFGSLineSearch: 7 16:21:57 50608.620863 10.778836 LBFGSLineSearch: 8 16:22:00 50608.610540 8.832103 LBFGSLineSearch: 9 16:22:05 50608.590685 5.908413 LBFGSLineSearch: 10 16:22:09 50608.585409 5.660298 LBFGSLineSearch: 11 16:22:12 50608.584262 5.477880 LBFGSLineSearch: 12 16:22:15 50608.580683 4.219451 LBFGSLineSearch: 13 16:22:20 50608.576945 3.152375 LBFGSLineSearch: 14 16:22:23 50608.570401 0.251166 LBFGSLineSearch: 15 16:22:25 50608.570308 0.098052 LBFGSLineSearch: 16 16:22:27 50608.570305 0.000823 LBFGSLineSearch: 17 16:22:30 50608.570305 0.000001 Minimization converged after 17 steps. Pressure: 165140.3718518206 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:22:37 55713.275035 364.621766 LBFGSLineSearch: 1 16:22:41 55656.876359 12.958877 LBFGSLineSearch: 2 16:22:44 55656.873909 12.865825 LBFGSLineSearch: 3 16:22:49 55656.871773 12.950047 LBFGSLineSearch: 4 16:22:53 55656.869922 13.623869 LBFGSLineSearch: 5 16:22:56 55656.867312 13.082704 LBFGSLineSearch: 6 16:22:59 55656.863134 12.577557 LBFGSLineSearch: 7 16:23:02 55656.858248 11.928263 LBFGSLineSearch: 8 16:23:05 55656.847710 9.942002 LBFGSLineSearch: 9 16:23:08 55656.826564 6.810954 LBFGSLineSearch: 10 16:23:14 55656.820716 6.614879 LBFGSLineSearch: 11 16:23:18 55656.819424 6.416386 LBFGSLineSearch: 12 16:23:21 55656.815184 4.980230 LBFGSLineSearch: 13 16:23:23 55656.810679 3.738464 LBFGSLineSearch: 14 16:23:26 55656.802416 0.279898 LBFGSLineSearch: 15 16:23:30 55656.802311 0.108901 LBFGSLineSearch: 16 16:23:33 55656.802307 0.000925 LBFGSLineSearch: 17 16:23:36 55656.802307 0.000001 Minimization converged after 17 steps. Pressure: 185363.80004736612 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:23:43 61262.646666 400.417454 LBFGSLineSearch: 1 16:23:44 61200.548973 14.146150 LBFGSLineSearch: 2 16:23:45 61200.546526 14.045891 LBFGSLineSearch: 3 16:23:45 61200.544383 14.143364 LBFGSLineSearch: 4 16:23:48 61200.542540 14.852172 LBFGSLineSearch: 5 16:23:50 61200.539979 14.309312 LBFGSLineSearch: 6 16:23:51 61200.535885 13.826910 LBFGSLineSearch: 7 16:23:54 61200.531079 13.200010 LBFGSLineSearch: 8 16:23:56 61200.520356 11.170265 LBFGSLineSearch: 9 16:23:58 61200.497954 7.877203 LBFGSLineSearch: 10 16:24:02 61200.491518 7.716542 LBFGSLineSearch: 11 16:24:04 61200.490046 7.501281 LBFGSLineSearch: 12 16:24:07 61200.485026 5.872896 LBFGSLineSearch: 13 16:24:09 61200.479622 4.435882 LBFGSLineSearch: 14 16:24:12 61200.469250 0.325173 LBFGSLineSearch: 15 16:24:13 61200.469119 0.130010 LBFGSLineSearch: 16 16:24:14 61200.469114 0.001119 LBFGSLineSearch: 17 16:24:15 61200.469114 0.000001 Minimization converged after 17 steps. Pressure: 208063.83068357568 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:24:22 67356.301614 439.702321 LBFGSLineSearch: 1 16:24:22 67287.942500 15.432867 LBFGSLineSearch: 2 16:24:25 67287.940050 15.335960 LBFGSLineSearch: 3 16:24:27 67287.937897 15.436437 LBFGSLineSearch: 4 16:24:30 67287.936056 16.183150 LBFGSLineSearch: 5 16:24:33 67287.933541 15.640467 LBFGSLineSearch: 6 16:24:34 67287.929534 15.182445 LBFGSLineSearch: 7 16:24:36 67287.924828 14.583438 LBFGSLineSearch: 8 16:24:39 67287.913949 12.522328 LBFGSLineSearch: 9 16:24:42 67287.890403 9.110146 LBFGSLineSearch: 10 16:24:45 67287.883406 8.976558 LBFGSLineSearch: 11 16:24:47 67287.881764 8.748490 LBFGSLineSearch: 12 16:24:49 67287.875888 6.912777 LBFGSLineSearch: 13 16:24:51 67287.869488 5.260006 LBFGSLineSearch: 14 16:24:54 67287.856469 0.360097 LBFGSLineSearch: 15 16:24:56 67287.856324 0.144579 LBFGSLineSearch: 16 16:24:57 67287.856318 0.001169 LBFGSLineSearch: 17 16:25:00 67287.856318 0.000002 Minimization converged after 17 steps. Pressure: 233543.753568181 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:25:06 74047.273187 482.815491 LBFGSLineSearch: 1 16:25:08 73972.032991 16.846521 LBFGSLineSearch: 2 16:25:10 73972.030548 16.745377 LBFGSLineSearch: 3 16:25:12 73972.028396 16.856894 LBFGSLineSearch: 4 16:25:14 73972.026571 17.639922 LBFGSLineSearch: 5 16:25:16 73972.024107 17.094822 LBFGSLineSearch: 6 16:25:18 73972.020161 16.658060 LBFGSLineSearch: 7 16:25:20 73972.015537 16.085796 LBFGSLineSearch: 8 16:25:22 73972.004529 13.996420 LBFGSLineSearch: 9 16:25:25 73971.979827 10.440310 LBFGSLineSearch: 10 16:25:29 73971.972186 10.331226 LBFGSLineSearch: 11 16:25:33 73971.970378 10.093274 LBFGSLineSearch: 12 16:25:35 73971.963700 8.072935 LBFGSLineSearch: 13 16:25:37 73971.956112 6.159520 LBFGSLineSearch: 14 16:25:40 73971.940127 0.414181 LBFGSLineSearch: 15 16:25:42 73971.939949 0.162436 LBFGSLineSearch: 16 16:25:44 73971.939943 0.001204 LBFGSLineSearch: 17 16:25:48 73971.939943 0.000002 Minimization converged after 17 steps. Pressure: 262143.99999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:25:54 81393.741097 530.128654 LBFGSLineSearch: 1 16:25:57 81310.942903 18.390579 LBFGSLineSearch: 2 16:26:00 81310.940460 18.292929 LBFGSLineSearch: 3 16:26:02 81310.938301 18.406625 LBFGSLineSearch: 4 16:26:03 81310.936485 19.229200 LBFGSLineSearch: 5 16:26:05 81310.934065 18.684235 LBFGSLineSearch: 6 16:26:09 81310.930192 18.269726 LBFGSLineSearch: 7 16:26:12 81310.925660 17.727380 LBFGSLineSearch: 8 16:26:15 81310.914525 15.614152 LBFGSLineSearch: 9 16:26:16 81310.888755 11.941565 LBFGSLineSearch: 10 16:26:19 81310.880559 11.880062 LBFGSLineSearch: 11 16:26:21 81310.878601 11.637814 LBFGSLineSearch: 12 16:26:23 81310.871009 9.407428 LBFGSLineSearch: 13 16:26:27 81310.862140 7.230077 LBFGSLineSearch: 14 16:26:31 81310.842508 0.450251 LBFGSLineSearch: 15 16:26:34 81310.842315 0.192966 LBFGSLineSearch: 16 16:26:37 81310.842308 0.001236 LBFGSLineSearch: 17 16:26:39 81310.842308 0.000002 Minimization converged after 17 steps. Pressure: 294246.6911920118 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:26:45 89459.539058 582.049768 LBFGSLineSearch: 1 16:26:48 89368.437319 20.094939 LBFGSLineSearch: 2 16:26:51 89368.434879 19.984440 LBFGSLineSearch: 3 16:26:53 89368.432717 20.116560 LBFGSLineSearch: 4 16:26:54 89368.430902 20.982360 LBFGSLineSearch: 5 16:26:57 89368.428520 20.433053 LBFGSLineSearch: 6 16:26:58 89368.424722 20.040708 LBFGSLineSearch: 7 16:27:01 89368.420267 19.521134 LBFGSLineSearch: 8 16:27:05 89368.409087 17.392871 LBFGSLineSearch: 9 16:27:07 89368.382356 13.621270 LBFGSLineSearch: 10 16:27:09 89368.373545 13.606871 LBFGSLineSearch: 11 16:27:12 89368.371414 13.357473 LBFGSLineSearch: 12 16:27:15 89368.362880 10.928761 LBFGSLineSearch: 13 16:27:17 89368.352606 8.462454 LBFGSLineSearch: 14 16:27:19 89368.328649 0.524582 LBFGSLineSearch: 15 16:27:23 89368.328403 0.212690 LBFGSLineSearch: 16 16:27:28 89368.328395 0.001367 LBFGSLineSearch: 17 16:27:32 89368.328395 0.000002 Minimization converged after 17 steps. Pressure: 330280.74370364123 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:27:38 98314.694593 639.026157 LBFGSLineSearch: 1 16:27:40 98214.472421 21.923295 LBFGSLineSearch: 2 16:27:42 98214.469984 21.838322 LBFGSLineSearch: 3 16:27:44 98214.467814 21.954041 LBFGSLineSearch: 4 16:27:46 98214.466007 22.864512 LBFGSLineSearch: 5 16:27:48 98214.463678 22.314535 LBFGSLineSearch: 6 16:27:51 98214.459989 21.951849 LBFGSLineSearch: 7 16:27:54 98214.455670 21.467919 LBFGSLineSearch: 8 16:27:56 98214.444464 19.335165 LBFGSLineSearch: 9 16:27:59 98214.416771 15.459578 LBFGSLineSearch: 10 16:28:02 98214.407345 15.502405 LBFGSLineSearch: 11 16:28:05 98214.405033 15.247439 LBFGSLineSearch: 12 16:28:07 98214.395562 12.614419 LBFGSLineSearch: 13 16:28:10 98214.383818 9.846338 LBFGSLineSearch: 14 16:28:11 98214.354842 0.528991 LBFGSLineSearch: 15 16:28:14 98214.354620 0.235439 LBFGSLineSearch: 16 16:28:17 98214.354611 0.001575 LBFGSLineSearch: 17 16:28:21 98214.354611 0.000002 Minimization converged after 17 steps. Pressure: 370727.6000947323 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:28:28 108036.038046 701.548817 LBFGSLineSearch: 1 16:28:31 107925.795914 23.948018 LBFGSLineSearch: 2 16:28:35 107925.793480 23.849863 LBFGSLineSearch: 3 16:28:38 107925.791312 23.985792 LBFGSLineSearch: 4 16:28:41 107925.789526 24.936935 LBFGSLineSearch: 5 16:28:44 107925.787255 24.387526 LBFGSLineSearch: 6 16:28:46 107925.783661 24.045684 LBFGSLineSearch: 7 16:28:47 107925.779463 23.594369 LBFGSLineSearch: 8 16:28:51 107925.768280 21.452466 LBFGSLineSearch: 9 16:28:54 107925.739606 17.435670 LBFGSLineSearch: 10 16:28:55 107925.729505 17.540077 LBFGSLineSearch: 11 16:28:58 107925.727051 17.292811 LBFGSLineSearch: 12 16:29:02 107925.716539 14.448171 LBFGSLineSearch: 13 16:29:06 107925.703178 11.367233 LBFGSLineSearch: 14 16:29:09 107925.668676 0.639243 LBFGSLineSearch: 15 16:29:11 107925.668370 0.263782 LBFGSLineSearch: 16 16:29:13 107925.668361 0.001579 LBFGSLineSearch: 17 16:29:18 107925.668361 0.000003 Minimization converged after 17 steps. Pressure: 416127.6613671514 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:29:24 118707.850823 770.155890 LBFGSLineSearch: 1 16:29:25 118586.605851 26.164637 LBFGSLineSearch: 2 16:29:29 118586.603424 26.073040 LBFGSLineSearch: 3 16:29:32 118586.601255 26.210790 LBFGSLineSearch: 4 16:29:35 118586.599476 27.210811 LBFGSLineSearch: 5 16:29:38 118586.597238 26.655385 LBFGSLineSearch: 6 16:29:40 118586.593711 26.339994 LBFGSLineSearch: 7 16:29:42 118586.589593 25.915206 LBFGSLineSearch: 8 16:29:45 118586.578430 23.777858 LBFGSLineSearch: 9 16:29:48 118586.548940 19.660653 LBFGSLineSearch: 10 16:29:51 118586.538228 19.849066 LBFGSLineSearch: 11 16:29:53 118586.535658 19.607273 LBFGSLineSearch: 12 16:29:56 118586.524228 16.575661 LBFGSLineSearch: 13 16:30:00 118586.509092 13.142085 LBFGSLineSearch: 14 16:30:03 118586.467849 0.698754 LBFGSLineSearch: 15 16:30:05 118586.467515 0.291303 LBFGSLineSearch: 16 16:30:07 118586.467505 0.001708 LBFGSLineSearch: 17 16:30:17 118586.467505 0.001698 LBFGSLineSearch: 18 16:30:22 118586.467505 0.000505 LBFGSLineSearch: 19 16:30:29 118586.467505 0.000505 LBFGSLineSearch: 20 16:30:35 118586.467505 0.000505 LBFGSLineSearch: 21 16:30:39 118586.467505 0.000505 LBFGSLineSearch: 22 16:30:44 118586.467505 0.000505 LBFGSLineSearch: 23 16:30:50 118586.467505 0.000505 LBFGSLineSearch: 24 16:30:59 118586.467505 0.000505 LBFGSLineSearch: 25 16:31:05 118586.467505 0.000505 LBFGSLineSearch: 26 16:31:13 118586.467505 0.000505 LBFGSLineSearch: 27 16:31:17 118586.467505 0.000505 LBFGSLineSearch: 28 16:31:19 118586.467505 0.000505 LBFGSLineSearch: 29 16:31:21 118586.467505 0.000505 LBFGSLineSearch: 30 16:31:30 118586.467505 0.000505 LBFGSLineSearch: 31 16:31:39 118586.467505 0.000490 LBFGSLineSearch: 32 16:31:53 118586.467505 0.000490 LBFGSLineSearch: 33 16:32:00 118586.467505 0.000490 LBFGSLineSearch: 34 16:32:05 118586.467505 0.000490 LBFGSLineSearch: 35 16:32:09 118586.467505 0.000490 LBFGSLineSearch: 36 16:32:14 118586.467505 0.000490 LBFGSLineSearch: 37 16:32:19 118586.467505 0.000490 LBFGSLineSearch: 38 16:32:24 118586.467505 0.000004 Minimization converged after 38 steps. Pressure: 467087.5071363621 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:32:31 130422.600221 845.438055 LBFGSLineSearch: 1 16:32:33 130289.271074 28.595364 LBFGSLineSearch: 2 16:32:34 130289.268653 28.480521 LBFGSLineSearch: 3 16:32:35 130289.266489 28.648613 LBFGSLineSearch: 4 16:32:38 130289.264722 29.695723 LBFGSLineSearch: 5 16:32:40 130289.262526 29.134279 LBFGSLineSearch: 6 16:32:44 130289.259073 28.840780 LBFGSLineSearch: 7 16:32:47 130289.255055 28.440125 LBFGSLineSearch: 8 16:32:48 130289.243934 26.296840 LBFGSLineSearch: 9 16:32:51 130289.213779 22.092492 LBFGSLineSearch: 10 16:32:54 130289.202498 22.371914 LBFGSLineSearch: 11 16:32:58 130289.199789 22.138926 LBFGSLineSearch: 12 16:33:01 130289.187288 18.903504 LBFGSLineSearch: 13 16:33:04 130289.170431 15.158139 LBFGSLineSearch: 14 16:33:06 130289.121532 0.849629 LBFGSLineSearch: 15 16:33:08 130289.121065 0.325777 LBFGSLineSearch: 16 16:33:09 130289.121053 0.001711 LBFGSLineSearch: 17 16:33:22 130289.121053 0.001245 LBFGSLineSearch: 18 16:33:26 130289.121053 0.001245 LBFGSLineSearch: 19 16:33:31 130289.121053 0.001245 LBFGSLineSearch: 20 16:33:35 130289.121053 0.001245 LBFGSLineSearch: 21 16:33:40 130289.121053 0.001245 LBFGSLineSearch: 22 16:33:48 130289.121053 0.001245 LBFGSLineSearch: 23 16:33:53 130289.121053 0.001245 LBFGSLineSearch: 24 16:33:56 130289.121053 0.000070 LBFGSLineSearch: 25 16:34:03 130289.121053 0.000070 LBFGSLineSearch: 26 16:34:08 130289.121053 0.000070 LBFGSLineSearch: 27 16:34:11 130289.121053 0.000070 LBFGSLineSearch: 28 16:34:16 130289.121053 0.000070 LBFGSLineSearch: 29 16:34:22 130289.121053 0.000069 LBFGSLineSearch: 30 16:34:27 130289.121053 0.000069 LBFGSLineSearch: 31 16:34:32 130289.121053 0.000069 LBFGSLineSearch: 32 16:34:37 130289.121053 0.000069 LBFGSLineSearch: 33 16:34:42 130289.121053 0.000069 LBFGSLineSearch: 34 16:34:51 130289.121053 0.000069 LBFGSLineSearch: 35 16:34:53 130289.121053 0.000069 LBFGSLineSearch: 36 16:34:59 130289.121053 0.000069 LBFGSLineSearch: 37 16:35:02 130289.121053 0.000069 LBFGSLineSearch: 38 16:35:06 130289.121053 0.000069 LBFGSLineSearch: 39 16:35:13 130289.121053 0.000069 LBFGSLineSearch: 40 16:35:17 130289.121053 0.000069 LBFGSLineSearch: 41 16:35:21 130289.121053 0.000069 LBFGSLineSearch: 42 16:35:30 130289.121053 0.000069 LBFGSLineSearch: 43 16:35:38 130289.121053 0.000069 LBFGSLineSearch: 44 16:35:44 130289.121053 0.000069 LBFGSLineSearch: 45 16:35:49 130289.121053 0.000069 LBFGSLineSearch: 46 16:35:58 130289.121053 0.000069 LBFGSLineSearch: 47 16:36:06 130289.121053 0.000069 LBFGSLineSearch: 48 16:36:11 130289.121053 0.000069 LBFGSLineSearch: 49 16:36:14 130289.121053 0.000069 LBFGSLineSearch: 50 16:36:19 130289.121053 0.000069 LBFGSLineSearch: 51 16:36:24 130289.121053 0.000069 LBFGSLineSearch: 52 16:36:29 130289.121053 0.000069 LBFGSLineSearch: 53 16:36:35 130289.121053 0.000069 LBFGSLineSearch: 54 16:36:39 130289.121053 0.000069 LBFGSLineSearch: 55 16:36:46 130289.121053 0.000069 LBFGSLineSearch: 56 16:36:51 130289.121053 0.000069 LBFGSLineSearch: 57 16:37:01 130289.121053 0.000069 LBFGSLineSearch: 58 16:37:08 130289.121053 0.000069 LBFGSLineSearch: 59 16:37:11 130289.121053 0.000069 LBFGSLineSearch: 60 16:37:16 130289.121053 0.000069 LBFGSLineSearch: 61 16:37:20 130289.121053 0.000069 LBFGSLineSearch: 62 16:37:27 130289.121053 0.000069 LBFGSLineSearch: 63 16:37:31 130289.121053 0.000069 LBFGSLineSearch: 64 16:37:38 130289.121053 0.000069 LBFGSLineSearch: 65 16:37:41 130289.121053 0.000069 LBFGSLineSearch: 66 16:37:50 130289.121053 0.000069 LBFGSLineSearch: 67 16:37:56 130289.121053 0.000069 LBFGSLineSearch: 68 16:38:03 130289.121053 0.000069 LBFGSLineSearch: 69 16:38:07 130289.121053 0.000069 LBFGSLineSearch: 70 16:38:10 130289.121053 0.000069 LBFGSLineSearch: 71 16:38:16 130289.121053 0.000069 LBFGSLineSearch: 72 16:38:27 130289.121053 0.000069 LBFGSLineSearch: 73 16:38:33 130289.121053 0.000069 LBFGSLineSearch: 74 16:38:36 130289.121053 0.000069 LBFGSLineSearch: 75 16:38:43 130289.121053 0.000069 LBFGSLineSearch: 76 16:38:48 130289.121053 0.000069 LBFGSLineSearch: 77 16:38:53 130289.121053 0.000069 LBFGSLineSearch: 78 16:39:01 130289.121053 0.000069 LBFGSLineSearch: 79 16:39:06 130289.121053 0.000069 LBFGSLineSearch: 80 16:39:11 130289.121053 0.000069 LBFGSLineSearch: 81 16:39:16 130289.121053 0.000069 LBFGSLineSearch: 82 16:39:24 130289.121053 0.000069 LBFGSLineSearch: 83 16:39:31 130289.121053 0.000069 LBFGSLineSearch: 84 16:39:37 130289.121053 0.000069 LBFGSLineSearch: 85 16:39:44 130289.121053 0.000068 LBFGSLineSearch: 86 16:39:52 130289.121053 0.000068 LBFGSLineSearch: 87 16:39:53 130289.121053 0.000001 Minimization converged after 87 steps. Pressure: 524287.99999999907 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:40:00 143281.726059 928.043214 LBFGSLineSearch: 1 16:40:03 143135.123880 31.242168 LBFGSLineSearch: 2 16:40:06 143135.121457 31.160395 LBFGSLineSearch: 3 16:40:11 143135.119281 31.307243 LBFGSLineSearch: 4 16:40:15 143135.117521 32.407636 LBFGSLineSearch: 5 16:40:19 143135.115363 31.842754 LBFGSLineSearch: 6 16:40:21 143135.111987 31.578943 LBFGSLineSearch: 7 16:40:25 143135.108075 31.217406 LBFGSLineSearch: 8 16:40:28 143135.096986 29.091627 LBFGSLineSearch: 9 16:40:31 143135.066094 24.787344 LBFGSLineSearch: 10 16:40:34 143135.054229 25.178894 LBFGSLineSearch: 11 16:40:35 143135.051408 24.956514 LBFGSLineSearch: 12 16:40:38 143135.038133 21.567973 LBFGSLineSearch: 13 16:40:41 143135.019256 17.422775 LBFGSLineSearch: 14 16:40:44 143134.961322 0.843305 LBFGSLineSearch: 15 16:40:49 143134.960913 0.357137 LBFGSLineSearch: 16 16:40:50 143134.960902 0.001869 LBFGSLineSearch: 17 16:40:53 143134.960902 0.000003 Minimization converged after 17 steps. Pressure: 588493.3823840236 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:40:59 157396.505026 1018.681723 LBFGSLineSearch: 1 16:41:01 157235.330018 34.156300 LBFGSLineSearch: 2 16:41:02 157235.327596 34.068745 LBFGSLineSearch: 3 16:41:04 157235.325417 34.229568 LBFGSLineSearch: 4 16:41:07 157235.323665 35.383873 LBFGSLineSearch: 5 16:41:10 157235.321546 34.815468 LBFGSLineSearch: 6 16:41:13 157235.318256 34.575719 LBFGSLineSearch: 7 16:41:17 157235.314449 34.243110 LBFGSLineSearch: 8 16:41:20 157235.303433 32.126863 LBFGSLineSearch: 9 16:41:24 157235.271904 27.722796 LBFGSLineSearch: 10 16:41:28 157235.259513 28.237110 LBFGSLineSearch: 11 16:41:31 157235.256601 28.036940 LBFGSLineSearch: 12 16:41:34 157235.242517 24.515826 LBFGSLineSearch: 13 16:41:35 157235.221527 19.975389 LBFGSLineSearch: 14 16:41:38 157235.153457 0.978325 LBFGSLineSearch: 15 16:41:41 157235.152946 0.383548 LBFGSLineSearch: 16 16:41:41 157235.152934 0.001918 LBFGSLineSearch: 17 16:41:48 157235.152934 0.001904 LBFGSLineSearch: 18 16:41:52 157235.152934 0.001904 LBFGSLineSearch: 19 16:41:57 157235.152934 0.001904 LBFGSLineSearch: 20 16:42:01 157235.152934 0.000042 LBFGSLineSearch: 21 16:42:05 157235.152934 0.000042 LBFGSLineSearch: 22 16:42:07 157235.152934 0.000042 LBFGSLineSearch: 23 16:42:10 157235.152934 0.000042 LBFGSLineSearch: 24 16:42:18 157235.152934 0.000042 LBFGSLineSearch: 25 16:42:25 157235.152934 0.000042 LBFGSLineSearch: 26 16:42:33 157235.152934 0.000021 LBFGSLineSearch: 27 16:42:39 157235.152934 0.000021 LBFGSLineSearch: 28 16:42:43 157235.152934 0.000021 LBFGSLineSearch: 29 16:42:47 157235.152934 0.000021 LBFGSLineSearch: 30 16:42:56 157235.152934 0.000021 LBFGSLineSearch: 31 16:43:00 157235.152934 0.000021 LBFGSLineSearch: 32 16:43:08 157235.152934 0.000021 LBFGSLineSearch: 33 16:43:14 157235.152934 0.000021 LBFGSLineSearch: 34 16:43:16 157235.152934 0.000021 LBFGSLineSearch: 35 16:43:20 157235.152934 0.000021 LBFGSLineSearch: 36 16:43:26 157235.152934 0.000021 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LBFGSLineSearch: 56 16:45:15 157235.152934 0.000021 LBFGSLineSearch: 57 16:45:17 157235.152934 0.000021 LBFGSLineSearch: 58 16:45:23 157235.152934 0.000021 LBFGSLineSearch: 59 16:45:30 157235.152934 0.000021 LBFGSLineSearch: 60 16:45:33 157235.152934 0.000021 LBFGSLineSearch: 61 16:45:35 157235.152934 0.000021 LBFGSLineSearch: 62 16:45:39 157235.152934 0.000021 LBFGSLineSearch: 63 16:45:51 157235.152934 0.000021 LBFGSLineSearch: 64 16:46:01 157235.152934 0.000021 LBFGSLineSearch: 65 16:46:05 157235.152934 0.000021 LBFGSLineSearch: 66 16:46:08 157235.152934 0.000021 LBFGSLineSearch: 67 16:46:10 157235.152934 0.000021 LBFGSLineSearch: 68 16:46:12 157235.152934 0.000021 LBFGSLineSearch: 69 16:46:14 157235.152934 0.000021 LBFGSLineSearch: 70 16:46:22 157235.152934 0.000021 LBFGSLineSearch: 71 16:46:30 157235.152934 0.000021 LBFGSLineSearch: 72 16:46:39 157235.152934 0.000021 LBFGSLineSearch: 73 16:46:43 157235.152934 0.000021 LBFGSLineSearch: 74 16:46:46 157235.152934 0.000021 LBFGSLineSearch: 75 16:46:50 157235.152934 0.000021 LBFGSLineSearch: 76 16:46:57 157235.152934 0.000021 LBFGSLineSearch: 77 16:47:04 157235.152934 0.000021 LBFGSLineSearch: 78 16:47:05 157235.152934 0.000021 LBFGSLineSearch: 79 16:47:08 157235.152934 0.000021 LBFGSLineSearch: 80 16:47:18 157235.152934 0.000021 LBFGSLineSearch: 81 16:47:27 157235.152934 0.000021 LBFGSLineSearch: 82 16:47:30 157235.152934 0.000021 LBFGSLineSearch: 83 16:47:33 157235.152934 0.000021 LBFGSLineSearch: 84 16:47:36 157235.152934 0.000021 LBFGSLineSearch: 85 16:47:37 157235.152934 0.000021 LBFGSLineSearch: 86 16:47:38 157235.152934 0.000021 LBFGSLineSearch: 87 16:47:40 157235.152934 0.000021 LBFGSLineSearch: 88 16:47:43 157235.152934 0.000021 LBFGSLineSearch: 89 16:47:53 157235.152934 0.000018 LBFGSLineSearch: 90 16:47:57 157235.152934 0.000018 LBFGSLineSearch: 91 16:47:59 157235.152934 0.000018 LBFGSLineSearch: 92 16:48:09 157235.152934 0.000018 LBFGSLineSearch: 93 16:48:13 157235.152934 0.000018 LBFGSLineSearch: 94 16:48:16 157235.152934 0.000018 LBFGSLineSearch: 95 16:48:23 157235.152934 0.000018 LBFGSLineSearch: 96 16:48:25 157235.152934 0.000018 LBFGSLineSearch: 97 16:48:30 157235.152934 0.000018 LBFGSLineSearch: 98 16:48:32 157235.152934 0.000018 LBFGSLineSearch: 99 16:48:39 157235.152934 0.000018 LBFGSLineSearch: 100 16:48:41 157235.152934 0.000018 LBFGSLineSearch: 101 16:48:44 157235.152934 0.000018 LBFGSLineSearch: 102 16:48:47 157235.152934 0.000018 LBFGSLineSearch: 103 16:48:50 157235.152934 0.000018 LBFGSLineSearch: 104 16:48:52 157235.152934 0.000021 LBFGSLineSearch: 105 16:48:56 157235.152934 0.000020 LBFGSLineSearch: 106 16:48:59 157235.152934 0.000020 LBFGSLineSearch: 107 16:49:01 157235.152934 0.000019 LBFGSLineSearch: 108 16:49:02 157235.152934 0.000017 LBFGSLineSearch: 109 16:49:04 157235.152934 0.000017 LBFGSLineSearch: 110 16:49:06 157235.152934 0.000017 LBFGSLineSearch: 111 16:49:07 157235.152934 0.000017 LBFGSLineSearch: 112 16:49:08 157235.152934 0.000017 LBFGSLineSearch: 113 16:49:09 157235.152934 0.000017 LBFGSLineSearch: 114 16:49:11 157235.152934 0.000017 LBFGSLineSearch: 115 16:49:12 157235.152934 0.000017 LBFGSLineSearch: 116 16:49:13 157235.152934 0.000013 LBFGSLineSearch: 117 16:49:16 157235.152934 0.000013 LBFGSLineSearch: 118 16:49:19 157235.152934 0.000013 LBFGSLineSearch: 119 16:49:24 157235.152934 0.000013 LBFGSLineSearch: 120 16:49:27 157235.152934 0.000013 LBFGSLineSearch: 121 16:49:33 157235.152934 0.000013 LBFGSLineSearch: 122 16:49:35 157235.152934 0.000013 LBFGSLineSearch: 123 16:49:38 157235.152934 0.000013 LBFGSLineSearch: 124 16:49:41 157235.152934 0.000013 LBFGSLineSearch: 125 16:49:45 157235.152934 0.000013 LBFGSLineSearch: 126 16:49:47 157235.152934 0.000013 LBFGSLineSearch: 127 16:49:50 157235.152934 0.000013 LBFGSLineSearch: 128 16:50:00 157235.152934 0.000013 LBFGSLineSearch: 129 16:50:02 157235.152934 0.000013 LBFGSLineSearch: 130 16:50:10 157235.152934 0.000012 LBFGSLineSearch: 131 16:50:16 157235.152934 0.000012 LBFGSLineSearch: 132 16:50:19 157235.152934 0.000012 LBFGSLineSearch: 133 16:50:23 157235.152934 0.000010 Minimization converged after 133 steps. Pressure: 660561.4874072825 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:50:30 172889.020090 1118.133367 LBFGSLineSearch: 1 16:50:32 172711.845044 37.338125 LBFGSLineSearch: 2 16:50:34 172711.842633 37.241633 LBFGSLineSearch: 3 16:50:37 172711.840463 37.423165 LBFGSLineSearch: 4 16:50:39 172711.838723 38.634209 LBFGSLineSearch: 5 16:50:41 172711.836653 38.057982 LBFGSLineSearch: 6 16:50:42 172711.833443 37.839491 LBFGSLineSearch: 7 16:50:45 172711.829748 37.537932 LBFGSLineSearch: 8 16:50:48 172711.818854 35.424348 LBFGSLineSearch: 9 16:50:49 172711.786889 30.938035 LBFGSLineSearch: 10 16:50:51 172711.773829 31.576443 LBFGSLineSearch: 11 16:50:53 172711.770796 31.394205 LBFGSLineSearch: 12 16:50:56 172711.755494 27.647723 LBFGSLineSearch: 13 16:50:57 172711.732798 22.829433 LBFGSLineSearch: 14 16:50:59 172711.653298 1.141887 LBFGSLineSearch: 15 16:51:00 172711.652659 0.406965 LBFGSLineSearch: 16 16:51:01 172711.652646 0.002039 LBFGSLineSearch: 17 16:51:03 172711.652646 0.000003 Minimization converged after 17 steps. Pressure: 741455.2001894646 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:08 189893.198403 1227.253268 LBFGSLineSearch: 1 16:51:11 189698.453077 40.841196 LBFGSLineSearch: 2 16:51:13 189698.450666 40.732059 LBFGSLineSearch: 3 16:51:15 189698.448494 40.936675 LBFGSLineSearch: 4 16:51:16 189698.446762 42.207270 LBFGSLineSearch: 5 16:51:18 189698.444722 41.623596 LBFGSLineSearch: 6 16:51:18 189698.441570 41.427189 LBFGSLineSearch: 7 16:51:19 189698.437958 41.155037 LBFGSLineSearch: 8 16:51:21 189698.427157 39.052430 LBFGSLineSearch: 9 16:51:23 189698.394834 34.494621 LBFGSLineSearch: 10 16:51:25 189698.381364 35.286924 LBFGSLineSearch: 11 16:51:28 189698.378263 35.135426 LBFGSLineSearch: 12 16:51:30 189698.362330 31.309155 LBFGSLineSearch: 13 16:51:32 189698.337466 26.098660 LBFGSLineSearch: 14 16:51:35 189698.244557 1.316627 LBFGSLineSearch: 15 16:51:37 189698.243761 0.452576 LBFGSLineSearch: 16 16:51:39 189698.243747 0.002104 LBFGSLineSearch: 17 16:51:40 189698.243747 0.000004 Minimization converged after 17 steps. Pressure: 832255.322734303 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:47 208555.958188 1346.979603 Failed to get energy or crystal structure at pressure 832255.322734303 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:48 -189.018154 0.000923 LBFGSLineSearch: 1 16:51:49 -189.018154 0.000415 LBFGSLineSearch: 2 16:51:50 -189.018154 0.000115 LBFGSLineSearch: 3 16:51:51 -189.018154 0.000069 LBFGSLineSearch: 4 16:51:53 -189.018154 0.000024 LBFGSLineSearch: 5 16:51:55 -189.018154 0.000019 LBFGSLineSearch: 6 16:51:57 -189.018154 0.000011 LBFGSLineSearch: 7 16:51:59 -189.018154 0.000004 Minimization converged after 7 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:06 -189.418702 0.028610 LBFGSLineSearch: 1 16:52:11 -189.418754 0.005500 LBFGSLineSearch: 2 16:52:14 -189.418755 0.002961 LBFGSLineSearch: 3 16:52:16 -189.418755 0.001369 LBFGSLineSearch: 4 16:52:18 -189.418755 0.001127 LBFGSLineSearch: 5 16:52:19 -189.418755 0.000956 LBFGSLineSearch: 6 16:52:20 -189.418756 0.000974 LBFGSLineSearch: 7 16:52:21 -189.418756 0.000801 LBFGSLineSearch: 8 16:52:21 -189.418756 0.000780 LBFGSLineSearch: 9 16:52:21 -189.418756 0.001827 LBFGSLineSearch: 10 16:52:21 -189.418756 0.000750 LBFGSLineSearch: 11 16:52:21 -189.418756 0.000148 LBFGSLineSearch: 12 16:52:21 -189.418756 0.000091 LBFGSLineSearch: 13 16:52:22 -189.418756 0.000073 LBFGSLineSearch: 14 16:52:22 -189.418756 0.000020 LBFGSLineSearch: 15 16:52:22 -189.418756 0.000003 Minimization converged after 15 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:29 -189.819412 0.028619 LBFGSLineSearch: 1 16:52:30 -189.819464 0.005529 LBFGSLineSearch: 2 16:52:30 -189.819465 0.002969 LBFGSLineSearch: 3 16:52:31 -189.819465 0.001372 LBFGSLineSearch: 4 16:52:32 -189.819465 0.001127 LBFGSLineSearch: 5 16:52:32 -189.819465 0.000957 LBFGSLineSearch: 6 16:52:33 -189.819465 0.000971 LBFGSLineSearch: 7 16:52:34 -189.819465 0.000801 LBFGSLineSearch: 8 16:52:35 -189.819465 0.000779 LBFGSLineSearch: 9 16:52:35 -189.819465 0.001829 LBFGSLineSearch: 10 16:52:36 -189.819465 0.000753 LBFGSLineSearch: 11 16:52:37 -189.819465 0.000148 LBFGSLineSearch: 12 16:52:38 -189.819465 0.000091 LBFGSLineSearch: 13 16:52:40 -189.819465 0.000073 LBFGSLineSearch: 14 16:52:42 -189.819465 0.000020 LBFGSLineSearch: 15 16:52:45 -189.819465 0.000004 Minimization converged after 15 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:51 -190.220229 0.028627 LBFGSLineSearch: 1 16:52:54 -190.220281 0.005538 LBFGSLineSearch: 2 16:52:54 -190.220282 0.002974 LBFGSLineSearch: 3 16:52:56 -190.220282 0.001374 LBFGSLineSearch: 4 16:52:57 -190.220282 0.001128 LBFGSLineSearch: 5 16:52:58 -190.220282 0.000958 LBFGSLineSearch: 6 16:52:58 -190.220282 0.000969 LBFGSLineSearch: 7 16:52:59 -190.220282 0.000802 LBFGSLineSearch: 8 16:53:00 -190.220282 0.000776 LBFGSLineSearch: 9 16:53:02 -190.220282 0.001831 LBFGSLineSearch: 10 16:53:03 -190.220282 0.000752 LBFGSLineSearch: 11 16:53:05 -190.220282 0.000149 LBFGSLineSearch: 12 16:53:06 -190.220282 0.000090 LBFGSLineSearch: 13 16:53:08 -190.220282 0.000073 LBFGSLineSearch: 14 16:53:09 -190.220282 0.000020 LBFGSLineSearch: 15 16:53:11 -190.220282 0.000004 Minimization converged after 15 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:18 -190.621153 0.028635 LBFGSLineSearch: 1 16:53:18 -190.621206 0.005546 LBFGSLineSearch: 2 16:53:19 -190.621207 0.002980 LBFGSLineSearch: 3 16:53:19 -190.621207 0.001377 LBFGSLineSearch: 4 16:53:19 -190.621207 0.001129 LBFGSLineSearch: 5 16:53:19 -190.621207 0.000959 LBFGSLineSearch: 6 16:53:20 -190.621207 0.000967 LBFGSLineSearch: 7 16:53:21 -190.621207 0.000802 LBFGSLineSearch: 8 16:53:21 -190.621207 0.000775 LBFGSLineSearch: 9 16:53:22 -190.621207 0.001834 LBFGSLineSearch: 10 16:53:22 -190.621207 0.000751 LBFGSLineSearch: 11 16:53:23 -190.621207 0.000149 LBFGSLineSearch: 12 16:53:23 -190.621207 0.000089 LBFGSLineSearch: 13 16:53:23 -190.621207 0.000073 LBFGSLineSearch: 14 16:53:23 -190.621207 0.000021 LBFGSLineSearch: 15 16:53:24 -190.621207 0.000004 Minimization converged after 15 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:32 -191.022187 0.028643 LBFGSLineSearch: 1 16:53:33 -191.022239 0.005555 LBFGSLineSearch: 2 16:53:34 -191.022240 0.002985 LBFGSLineSearch: 3 16:53:35 -191.022240 0.001379 LBFGSLineSearch: 4 16:53:36 -191.022240 0.001130 LBFGSLineSearch: 5 16:53:38 -191.022240 0.000960 LBFGSLineSearch: 6 16:53:38 -191.022240 0.000965 LBFGSLineSearch: 7 16:53:40 -191.022240 0.000803 LBFGSLineSearch: 8 16:53:42 -191.022240 0.000772 LBFGSLineSearch: 9 16:53:44 -191.022241 0.001836 LBFGSLineSearch: 10 16:53:45 -191.022241 0.000751 LBFGSLineSearch: 11 16:53:46 -191.022241 0.000149 LBFGSLineSearch: 12 16:53:49 -191.022241 0.000089 LBFGSLineSearch: 13 16:53:51 -191.022241 0.000072 LBFGSLineSearch: 14 16:53:52 -191.022241 0.000021 LBFGSLineSearch: 15 16:53:52 -191.022241 0.000004 Minimization converged after 15 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:59 -191.423328 0.028650 LBFGSLineSearch: 1 16:54:00 -191.423381 0.005564 LBFGSLineSearch: 2 16:54:02 -191.423382 0.002990 LBFGSLineSearch: 3 16:54:03 -191.423382 0.001381 LBFGSLineSearch: 4 16:54:04 -191.423382 0.001132 LBFGSLineSearch: 5 16:54:06 -191.423382 0.000961 LBFGSLineSearch: 6 16:54:06 -191.423382 0.000962 LBFGSLineSearch: 7 16:54:07 -191.423382 0.000804 LBFGSLineSearch: 8 16:54:07 -191.423382 0.000770 LBFGSLineSearch: 9 16:54:08 -191.423382 0.001839 LBFGSLineSearch: 10 16:54:09 -191.423383 0.000755 LBFGSLineSearch: 11 16:54:10 -191.423383 0.000149 LBFGSLineSearch: 12 16:54:11 -191.423383 0.000088 LBFGSLineSearch: 13 16:54:12 -191.423383 0.000072 LBFGSLineSearch: 14 16:54:12 -191.423383 0.000022 LBFGSLineSearch: 15 16:54:12 -191.423383 0.000004 Minimization converged after 15 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:19 -191.824579 0.028658 LBFGSLineSearch: 1 16:54:21 -191.824632 0.005572 LBFGSLineSearch: 2 16:54:23 -191.824632 0.002996 LBFGSLineSearch: 3 16:54:25 -191.824633 0.001383 LBFGSLineSearch: 4 16:54:27 -191.824633 0.001133 LBFGSLineSearch: 5 16:54:28 -191.824633 0.000962 LBFGSLineSearch: 6 16:54:29 -191.824633 0.000960 LBFGSLineSearch: 7 16:54:31 -191.824633 0.000805 LBFGSLineSearch: 8 16:54:33 -191.824633 0.000768 LBFGSLineSearch: 9 16:54:34 -191.824633 0.001841 LBFGSLineSearch: 10 16:54:35 -191.824633 0.000758 LBFGSLineSearch: 11 16:54:37 -191.824633 0.000150 LBFGSLineSearch: 12 16:54:37 -191.824633 0.000088 LBFGSLineSearch: 13 16:54:37 -191.824633 0.000072 LBFGSLineSearch: 14 16:54:37 -191.824633 0.000022 LBFGSLineSearch: 15 16:54:37 -191.824633 0.000004 Minimization converged after 15 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:44 -192.225938 0.028666 LBFGSLineSearch: 1 16:54:46 -192.225991 0.005581 LBFGSLineSearch: 2 16:54:47 -192.225992 0.003001 LBFGSLineSearch: 3 16:54:50 -192.225992 0.001385 LBFGSLineSearch: 4 16:54:52 -192.225992 0.001134 LBFGSLineSearch: 5 16:54:54 -192.225992 0.000963 LBFGSLineSearch: 6 16:54:54 -192.225992 0.000958 LBFGSLineSearch: 7 16:54:55 -192.225992 0.000805 LBFGSLineSearch: 8 16:54:55 -192.225992 0.000766 LBFGSLineSearch: 9 16:54:56 -192.225993 0.001843 LBFGSLineSearch: 10 16:54:56 -192.225993 0.000762 LBFGSLineSearch: 11 16:54:56 -192.225993 0.000150 LBFGSLineSearch: 12 16:54:57 -192.225993 0.000087 LBFGSLineSearch: 13 16:54:58 -192.225993 0.000071 LBFGSLineSearch: 14 16:54:58 -192.225993 0.000022 LBFGSLineSearch: 15 16:54:59 -192.225993 0.000005 Minimization converged after 15 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:04 -192.627407 0.028674 LBFGSLineSearch: 1 16:55:06 -192.627460 0.005590 LBFGSLineSearch: 2 16:55:07 -192.627461 0.003007 LBFGSLineSearch: 3 16:55:09 -192.627461 0.001388 LBFGSLineSearch: 4 16:55:09 -192.627461 0.001135 LBFGSLineSearch: 5 16:55:10 -192.627461 0.000964 LBFGSLineSearch: 6 16:55:10 -192.627461 0.000956 LBFGSLineSearch: 7 16:55:11 -192.627461 0.000805 LBFGSLineSearch: 8 16:55:11 -192.627461 0.000763 LBFGSLineSearch: 9 16:55:12 -192.627461 0.002896 LBFGSLineSearch: 10 16:55:12 -192.627462 0.003915 LBFGSLineSearch: 11 16:55:12 -192.627462 0.001291 LBFGSLineSearch: 12 16:55:13 -192.627462 0.000454 LBFGSLineSearch: 13 16:55:13 -192.627462 0.000128 LBFGSLineSearch: 14 16:55:13 -192.627462 0.000129 LBFGSLineSearch: 15 16:55:13 -192.627462 0.000122 LBFGSLineSearch: 16 16:55:14 -192.627462 0.000036 LBFGSLineSearch: 17 16:55:16 -192.627462 0.000006 Minimization converged after 17 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:23 -193.028989 0.028682 LBFGSLineSearch: 1 16:55:26 -193.029042 0.005594 LBFGSLineSearch: 2 16:55:28 -193.029043 0.003012 LBFGSLineSearch: 3 16:55:30 -193.029043 0.001390 LBFGSLineSearch: 4 16:55:32 -193.029043 0.001136 LBFGSLineSearch: 5 16:55:34 -193.029043 0.000964 LBFGSLineSearch: 6 16:55:36 -193.029043 0.000955 LBFGSLineSearch: 7 16:55:38 -193.029043 0.000806 LBFGSLineSearch: 8 16:55:38 -193.029044 0.000761 LBFGSLineSearch: 9 16:55:39 -193.029044 0.001850 LBFGSLineSearch: 10 16:55:39 -193.029044 0.000775 LBFGSLineSearch: 11 16:55:39 -193.029044 0.000150 LBFGSLineSearch: 12 16:55:40 -193.029044 0.000088 LBFGSLineSearch: 13 16:55:40 -193.029044 0.000071 LBFGSLineSearch: 14 16:55:40 -193.029044 0.000024 LBFGSLineSearch: 15 16:55:41 -193.029044 0.000002 Minimization converged after 15 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:47 -193.430680 0.028689 LBFGSLineSearch: 1 16:55:49 -193.430735 0.005252 LBFGSLineSearch: 2 16:55:50 -193.430736 0.003023 LBFGSLineSearch: 3 16:55:51 -193.430736 0.001731 LBFGSLineSearch: 4 16:55:53 -193.430736 0.001283 LBFGSLineSearch: 5 16:55:54 -193.430736 0.001103 LBFGSLineSearch: 6 16:55:55 -193.430736 0.001353 LBFGSLineSearch: 7 16:55:57 -193.430736 0.000421 LBFGSLineSearch: 8 16:55:58 -193.430736 0.000446 LBFGSLineSearch: 9 16:56:00 -193.430736 0.000789 LBFGSLineSearch: 10 16:56:01 -193.430736 0.000584 LBFGSLineSearch: 11 16:56:03 -193.430736 0.000510 LBFGSLineSearch: 12 16:56:06 -193.430736 0.000713 LBFGSLineSearch: 13 16:56:09 -193.430736 0.000348 LBFGSLineSearch: 14 16:56:11 -193.430736 0.000175 LBFGSLineSearch: 15 16:56:12 -193.430736 0.000152 LBFGSLineSearch: 16 16:56:12 -193.430736 0.000071 LBFGSLineSearch: 17 16:56:12 -193.430736 0.000003 Minimization converged after 17 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:18 -193.832485 0.028697 LBFGSLineSearch: 1 16:56:20 -193.832539 0.005617 LBFGSLineSearch: 2 16:56:21 -193.832539 0.003022 LBFGSLineSearch: 3 16:56:23 -193.832540 0.001397 LBFGSLineSearch: 4 16:56:25 -193.832540 0.001138 LBFGSLineSearch: 5 16:56:27 -193.832540 0.000966 LBFGSLineSearch: 6 16:56:29 -193.832540 0.000954 LBFGSLineSearch: 7 16:56:30 -193.832540 0.000808 LBFGSLineSearch: 8 16:56:31 -193.832540 0.000758 LBFGSLineSearch: 9 16:56:32 -193.832540 0.001854 LBFGSLineSearch: 10 16:56:32 -193.832540 0.000782 LBFGSLineSearch: 11 16:56:32 -193.832540 0.000151 LBFGSLineSearch: 12 16:56:33 -193.832540 0.000087 LBFGSLineSearch: 13 16:56:33 -193.832540 0.000071 LBFGSLineSearch: 14 16:56:34 -193.832540 0.000025 LBFGSLineSearch: 15 16:56:35 -193.832540 0.000004 Minimization converged after 15 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:41 -194.234399 0.028705 LBFGSLineSearch: 1 16:56:43 -194.234454 0.004812 LBFGSLineSearch: 2 16:56:45 -194.234455 0.003094 LBFGSLineSearch: 3 16:56:46 -194.234455 0.001320 LBFGSLineSearch: 4 16:56:49 -194.234455 0.000958 LBFGSLineSearch: 5 16:56:51 -194.234455 0.001027 LBFGSLineSearch: 6 16:56:54 -194.234455 0.000670 LBFGSLineSearch: 7 16:56:56 -194.234455 0.000437 LBFGSLineSearch: 8 16:56:57 -194.234455 0.000394 LBFGSLineSearch: 9 16:56:57 -194.234455 0.000384 LBFGSLineSearch: 10 16:56:57 -194.234455 0.000548 LBFGSLineSearch: 11 16:56:58 -194.234455 0.000471 LBFGSLineSearch: 12 16:56:59 -194.234455 0.000427 LBFGSLineSearch: 13 16:57:01 -194.234455 0.000359 LBFGSLineSearch: 14 16:57:04 -194.234455 0.000208 LBFGSLineSearch: 15 16:57:06 -194.234455 0.000193 LBFGSLineSearch: 16 16:57:07 -194.234455 0.000100 LBFGSLineSearch: 17 16:57:09 -194.234455 0.000006 Minimization converged after 17 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:17 -194.636428 0.028716 LBFGSLineSearch: 1 16:57:20 -194.636482 0.005657 LBFGSLineSearch: 2 16:57:25 -194.636483 0.003034 LBFGSLineSearch: 3 16:57:27 -194.636483 0.001399 LBFGSLineSearch: 4 16:57:28 -194.636483 0.001141 LBFGSLineSearch: 5 16:57:28 -194.636483 0.000971 LBFGSLineSearch: 6 16:57:29 -194.636483 0.000939 LBFGSLineSearch: 7 16:57:30 -194.636483 0.000809 LBFGSLineSearch: 8 16:57:32 -194.636483 0.000752 LBFGSLineSearch: 9 16:57:33 -194.636483 0.001860 LBFGSLineSearch: 10 16:57:34 -194.636484 0.000759 LBFGSLineSearch: 11 16:57:35 -194.636484 0.000154 LBFGSLineSearch: 12 16:57:37 -194.636484 0.000085 LBFGSLineSearch: 13 16:57:39 -194.636484 0.000070 LBFGSLineSearch: 14 16:57:41 -194.636484 0.000025 LBFGSLineSearch: 15 16:57:43 -194.636484 0.000005 Minimization converged after 15 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:50 -195.038567 0.028722 LBFGSLineSearch: 1 16:57:52 -195.038621 0.005643 LBFGSLineSearch: 2 16:57:54 -195.038622 0.003041 LBFGSLineSearch: 3 16:57:55 -195.038622 0.001402 LBFGSLineSearch: 4 16:57:55 -195.038622 0.001141 LBFGSLineSearch: 5 16:57:56 -195.038622 0.000970 LBFGSLineSearch: 6 16:57:56 -195.038622 0.000943 LBFGSLineSearch: 7 16:57:57 -195.038622 0.000809 LBFGSLineSearch: 8 16:57:57 -195.038623 0.000751 LBFGSLineSearch: 9 16:57:58 -195.038623 0.001858 LBFGSLineSearch: 10 16:57:58 -195.038623 0.000786 LBFGSLineSearch: 11 16:57:59 -195.038623 0.000151 LBFGSLineSearch: 12 16:58:00 -195.038623 0.000083 LBFGSLineSearch: 13 16:58:00 -195.038623 0.000069 LBFGSLineSearch: 14 16:58:01 -195.038623 0.000025 LBFGSLineSearch: 15 16:58:01 -195.038623 0.000005 Minimization converged after 15 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:09 -195.440818 0.028730 LBFGSLineSearch: 1 16:58:11 -195.440872 0.005652 LBFGSLineSearch: 2 16:58:12 -195.440873 0.003047 LBFGSLineSearch: 3 16:58:13 -195.440873 0.001404 LBFGSLineSearch: 4 16:58:16 -195.440873 0.001143 LBFGSLineSearch: 5 16:58:17 -195.440873 0.000971 LBFGSLineSearch: 6 16:58:18 -195.440873 0.000940 LBFGSLineSearch: 7 16:58:20 -195.440873 0.000809 LBFGSLineSearch: 8 16:58:22 -195.440873 0.000749 LBFGSLineSearch: 9 16:58:23 -195.440873 0.001860 LBFGSLineSearch: 10 16:58:24 -195.440873 0.000789 LBFGSLineSearch: 11 16:58:26 -195.440873 0.000151 LBFGSLineSearch: 12 16:58:27 -195.440873 0.000082 LBFGSLineSearch: 13 16:58:28 -195.440873 0.000068 LBFGSLineSearch: 14 16:58:30 -195.440873 0.000025 LBFGSLineSearch: 15 16:58:31 -195.440873 0.000006 Minimization converged after 15 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:38 -195.843179 0.028738 LBFGSLineSearch: 1 16:58:40 -195.843234 0.006012 LBFGSLineSearch: 2 16:58:43 -195.843235 0.003145 LBFGSLineSearch: 3 16:58:44 -195.843235 0.001608 LBFGSLineSearch: 4 16:58:46 -195.843236 0.001344 LBFGSLineSearch: 5 16:58:46 -195.843236 0.001194 LBFGSLineSearch: 6 16:58:47 -195.843236 0.001310 LBFGSLineSearch: 7 16:58:47 -195.843236 0.000534 LBFGSLineSearch: 8 16:58:48 -195.843236 0.000686 LBFGSLineSearch: 9 16:58:49 -195.843236 0.001053 LBFGSLineSearch: 10 16:58:50 -195.843236 0.000782 LBFGSLineSearch: 11 16:58:50 -195.843236 0.000592 LBFGSLineSearch: 12 16:58:50 -195.843236 0.001064 LBFGSLineSearch: 13 16:58:51 -195.843236 0.000328 LBFGSLineSearch: 14 16:58:51 -195.843236 0.000197 LBFGSLineSearch: 15 16:58:52 -195.843236 0.000230 LBFGSLineSearch: 16 16:58:53 -195.843236 0.000020 LBFGSLineSearch: 17 16:58:54 -195.843236 0.000001 Minimization converged after 17 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:00 -196.245656 0.028745 LBFGSLineSearch: 1 16:59:01 -196.245719 0.012536 LBFGSLineSearch: 2 16:59:02 -196.245723 0.008236 LBFGSLineSearch: 3 16:59:03 -196.245725 0.004422 LBFGSLineSearch: 4 16:59:03 -196.245726 0.003359 LBFGSLineSearch: 5 16:59:03 -196.245727 0.003256 LBFGSLineSearch: 6 16:59:03 -196.245727 0.002806 LBFGSLineSearch: 7 16:59:03 -196.245727 0.001800 LBFGSLineSearch: 8 16:59:03 -196.245727 0.001181 LBFGSLineSearch: 9 16:59:03 -196.245728 0.001192 LBFGSLineSearch: 10 16:59:04 -196.245728 0.001110 LBFGSLineSearch: 11 16:59:04 -196.245728 0.000803 LBFGSLineSearch: 12 16:59:04 -196.245728 0.001305 LBFGSLineSearch: 13 16:59:04 -196.245728 0.000452 LBFGSLineSearch: 14 16:59:04 -196.245728 0.000284 LBFGSLineSearch: 15 16:59:05 -196.245728 0.000121 LBFGSLineSearch: 16 16:59:05 -196.245728 0.000021 LBFGSLineSearch: 17 16:59:05 -196.245728 0.000001 Minimization converged after 17 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:11 -196.648271 0.028753 LBFGSLineSearch: 1 16:59:12 -196.648326 0.005682 LBFGSLineSearch: 2 16:59:13 -196.648327 0.003070 LBFGSLineSearch: 3 16:59:14 -196.648327 0.001412 LBFGSLineSearch: 4 16:59:16 -196.648327 0.001148 LBFGSLineSearch: 5 16:59:17 -196.648327 0.000976 LBFGSLineSearch: 6 16:59:18 -196.648327 0.000942 LBFGSLineSearch: 7 16:59:18 -196.648327 0.000815 LBFGSLineSearch: 8 16:59:20 -196.648327 0.000743 LBFGSLineSearch: 9 16:59:22 -196.648327 0.001870 LBFGSLineSearch: 10 16:59:22 -196.648328 0.000811 LBFGSLineSearch: 11 16:59:23 -196.648328 0.000152 LBFGSLineSearch: 12 16:59:25 -196.648328 0.000080 LBFGSLineSearch: 13 16:59:27 -196.648328 0.000066 LBFGSLineSearch: 14 16:59:29 -196.648328 0.000027 LBFGSLineSearch: 15 16:59:31 -196.648328 0.000004 Minimization converged after 15 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:38 -197.050983 0.028762 LBFGSLineSearch: 1 16:59:39 -197.051038 0.005693 LBFGSLineSearch: 2 16:59:40 -197.051038 0.003076 LBFGSLineSearch: 3 16:59:41 -197.051039 0.001414 LBFGSLineSearch: 4 16:59:42 -197.051039 0.001149 LBFGSLineSearch: 5 16:59:42 -197.051039 0.000977 LBFGSLineSearch: 6 16:59:42 -197.051039 0.000937 LBFGSLineSearch: 7 16:59:42 -197.051039 0.000815 LBFGSLineSearch: 8 16:59:43 -197.051039 0.000741 LBFGSLineSearch: 9 16:59:43 -197.051039 0.001871 LBFGSLineSearch: 10 16:59:43 -197.051039 0.000807 LBFGSLineSearch: 11 16:59:43 -197.051039 0.000152 LBFGSLineSearch: 12 16:59:44 -197.051039 0.000079 LBFGSLineSearch: 13 16:59:44 -197.051039 0.000066 LBFGSLineSearch: 14 16:59:45 -197.051039 0.000027 LBFGSLineSearch: 15 16:59:45 -197.051039 0.000005 Minimization converged after 15 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:52 -197.453807 0.028771 LBFGSLineSearch: 1 16:59:53 -197.453862 0.005703 LBFGSLineSearch: 2 16:59:55 -197.453863 0.003082 LBFGSLineSearch: 3 16:59:56 -197.453863 0.001417 LBFGSLineSearch: 4 16:59:57 -197.453863 0.001150 LBFGSLineSearch: 5 16:59:58 -197.453863 0.000978 LBFGSLineSearch: 6 16:59:58 -197.453863 0.000934 LBFGSLineSearch: 7 17:00:00 -197.453863 0.000815 LBFGSLineSearch: 8 17:00:01 -197.453863 0.000738 LBFGSLineSearch: 9 17:00:03 -197.453863 0.001873 LBFGSLineSearch: 10 17:00:03 -197.453863 0.000810 LBFGSLineSearch: 11 17:00:03 -197.453863 0.000152 LBFGSLineSearch: 12 17:00:04 -197.453863 0.000078 LBFGSLineSearch: 13 17:00:04 -197.453863 0.000065 LBFGSLineSearch: 14 17:00:04 -197.453863 0.000027 LBFGSLineSearch: 15 17:00:05 -197.453863 0.000005 Minimization converged after 15 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:11 -197.856744 0.028779 LBFGSLineSearch: 1 17:00:12 -197.856799 0.005712 LBFGSLineSearch: 2 17:00:14 -197.856800 0.003088 LBFGSLineSearch: 3 17:00:16 -197.856800 0.001419 LBFGSLineSearch: 4 17:00:17 -197.856800 0.001151 LBFGSLineSearch: 5 17:00:18 -197.856800 0.000979 LBFGSLineSearch: 6 17:00:20 -197.856800 0.000932 LBFGSLineSearch: 7 17:00:21 -197.856800 0.000816 LBFGSLineSearch: 8 17:00:21 -197.856800 0.000736 LBFGSLineSearch: 9 17:00:21 -197.856800 0.001874 LBFGSLineSearch: 10 17:00:22 -197.856801 0.000813 LBFGSLineSearch: 11 17:00:22 -197.856801 0.000152 LBFGSLineSearch: 12 17:00:22 -197.856801 0.000078 LBFGSLineSearch: 13 17:00:22 -197.856801 0.000065 LBFGSLineSearch: 14 17:00:23 -197.856801 0.000028 LBFGSLineSearch: 15 17:00:23 -197.856801 0.000005 Minimization converged after 15 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:29 -198.259794 0.028787 LBFGSLineSearch: 1 17:00:30 -198.259849 0.005722 LBFGSLineSearch: 2 17:00:31 -198.259850 0.003094 LBFGSLineSearch: 3 17:00:31 -198.259850 0.001422 LBFGSLineSearch: 4 17:00:32 -198.259851 0.001153 LBFGSLineSearch: 5 17:00:33 -198.259851 0.000980 LBFGSLineSearch: 6 17:00:34 -198.259851 0.000930 LBFGSLineSearch: 7 17:00:36 -198.259851 0.000816 LBFGSLineSearch: 8 17:00:37 -198.259851 0.000734 LBFGSLineSearch: 9 17:00:38 -198.259851 0.001876 LBFGSLineSearch: 10 17:00:38 -198.259851 0.000816 LBFGSLineSearch: 11 17:00:39 -198.259851 0.000152 LBFGSLineSearch: 12 17:00:40 -198.259851 0.000077 LBFGSLineSearch: 13 17:00:42 -198.259851 0.000064 LBFGSLineSearch: 14 17:00:44 -198.259851 0.000028 LBFGSLineSearch: 15 17:00:45 -198.259851 0.000005 Minimization converged after 15 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:54 -198.662958 0.028795 LBFGSLineSearch: 1 17:00:54 -198.663013 0.005731 LBFGSLineSearch: 2 17:00:54 -198.663014 0.003100 LBFGSLineSearch: 3 17:00:54 -198.663014 0.001424 LBFGSLineSearch: 4 17:00:54 -198.663014 0.001154 LBFGSLineSearch: 5 17:00:54 -198.663015 0.000981 LBFGSLineSearch: 6 17:00:55 -198.663015 0.000928 LBFGSLineSearch: 7 17:00:55 -198.663015 0.000817 LBFGSLineSearch: 8 17:00:55 -198.663015 0.000732 LBFGSLineSearch: 9 17:00:56 -198.663015 0.001877 LBFGSLineSearch: 10 17:00:56 -198.663015 0.000819 LBFGSLineSearch: 11 17:00:56 -198.663015 0.000153 LBFGSLineSearch: 12 17:00:56 -198.663015 0.000076 LBFGSLineSearch: 13 17:00:57 -198.663015 0.000064 LBFGSLineSearch: 14 17:00:58 -198.663015 0.000028 LBFGSLineSearch: 15 17:00:58 -198.663015 0.000005 Minimization converged after 15 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:04 -199.066236 0.028804 LBFGSLineSearch: 1 17:01:04 -199.066295 0.004553 LBFGSLineSearch: 2 17:01:05 -199.066296 0.003573 LBFGSLineSearch: 3 17:01:06 -199.066296 0.001975 LBFGSLineSearch: 4 17:01:06 -199.066297 0.001625 LBFGSLineSearch: 5 17:01:06 -199.066297 0.001031 LBFGSLineSearch: 6 17:01:07 -199.066297 0.001449 LBFGSLineSearch: 7 17:01:07 -199.066297 0.000673 LBFGSLineSearch: 8 17:01:10 -199.066297 0.000288 LBFGSLineSearch: 9 17:01:11 -199.066297 0.000316 LBFGSLineSearch: 10 17:01:11 -199.066297 0.000269 LBFGSLineSearch: 11 17:01:11 -199.066297 0.000227 LBFGSLineSearch: 12 17:01:11 -199.066297 0.000241 LBFGSLineSearch: 13 17:01:12 -199.066297 0.000200 LBFGSLineSearch: 14 17:01:14 -199.066297 0.000095 LBFGSLineSearch: 15 17:01:15 -199.066297 0.000070 LBFGSLineSearch: 16 17:01:16 -199.066297 0.000018 LBFGSLineSearch: 17 17:01:19 -199.066297 0.000002 Minimization converged after 17 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:25 -199.469637 0.028810 LBFGSLineSearch: 1 17:01:26 -199.469692 0.005743 LBFGSLineSearch: 2 17:01:27 -199.469693 0.003113 LBFGSLineSearch: 3 17:01:27 -199.469693 0.001429 LBFGSLineSearch: 4 17:01:29 -199.469693 0.001157 LBFGSLineSearch: 5 17:01:30 -199.469693 0.000984 LBFGSLineSearch: 6 17:01:31 -199.469693 0.000924 LBFGSLineSearch: 7 17:01:34 -199.469694 0.000819 LBFGSLineSearch: 8 17:01:35 -199.469694 0.000729 LBFGSLineSearch: 9 17:01:36 -199.469694 0.001881 LBFGSLineSearch: 10 17:01:36 -199.469694 0.000830 LBFGSLineSearch: 11 17:01:36 -199.469694 0.000151 LBFGSLineSearch: 12 17:01:36 -199.469694 0.000076 LBFGSLineSearch: 13 17:01:36 -199.469694 0.000063 LBFGSLineSearch: 14 17:01:36 -199.469694 0.000029 LBFGSLineSearch: 15 17:01:37 -199.469694 0.000004 Minimization converged after 15 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:42 -199.873148 0.028819 LBFGSLineSearch: 1 17:01:43 -199.873204 0.005758 LBFGSLineSearch: 2 17:01:43 -199.873205 0.003119 LBFGSLineSearch: 3 17:01:45 -199.873205 0.001432 LBFGSLineSearch: 4 17:01:46 -199.873205 0.001158 LBFGSLineSearch: 5 17:01:47 -199.873205 0.000985 LBFGSLineSearch: 6 17:01:47 -199.873205 0.000923 LBFGSLineSearch: 7 17:01:47 -199.873205 0.000819 LBFGSLineSearch: 8 17:01:49 -199.873205 0.000726 LBFGSLineSearch: 9 17:01:50 -199.873205 0.001883 LBFGSLineSearch: 10 17:01:51 -199.873205 0.000832 LBFGSLineSearch: 11 17:01:52 -199.873205 0.000153 LBFGSLineSearch: 12 17:01:52 -199.873205 0.000075 LBFGSLineSearch: 13 17:01:52 -199.873205 0.000063 LBFGSLineSearch: 14 17:01:53 -199.873205 0.000029 LBFGSLineSearch: 15 17:01:53 -199.873205 0.000005 Minimization converged after 15 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:59 -200.276774 0.028828 LBFGSLineSearch: 1 17:02:01 -200.276830 0.005768 LBFGSLineSearch: 2 17:02:02 -200.276831 0.003125 LBFGSLineSearch: 3 17:02:02 -200.276831 0.001434 LBFGSLineSearch: 4 17:02:03 -200.276831 0.001159 LBFGSLineSearch: 5 17:02:04 -200.276831 0.000986 LBFGSLineSearch: 6 17:02:04 -200.276831 0.000921 LBFGSLineSearch: 7 17:02:05 -200.276831 0.000820 LBFGSLineSearch: 8 17:02:06 -200.276831 0.000724 LBFGSLineSearch: 9 17:02:08 -200.276831 0.001886 LBFGSLineSearch: 10 17:02:09 -200.276832 0.000834 LBFGSLineSearch: 11 17:02:10 -200.276832 0.000154 LBFGSLineSearch: 12 17:02:10 -200.276832 0.000074 LBFGSLineSearch: 13 17:02:10 -200.276832 0.000062 LBFGSLineSearch: 14 17:02:11 -200.276832 0.000030 LBFGSLineSearch: 15 17:02:11 -200.276832 0.000005 Minimization converged after 15 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:17 -200.680515 0.028836 LBFGSLineSearch: 1 17:02:18 -200.680572 0.005778 LBFGSLineSearch: 2 17:02:18 -200.680573 0.003162 LBFGSLineSearch: 3 17:02:18 -200.680573 0.001226 LBFGSLineSearch: 4 17:02:20 -200.680573 0.000778 LBFGSLineSearch: 5 17:02:21 -200.680573 0.000730 LBFGSLineSearch: 6 17:02:23 -200.680573 0.000450 LBFGSLineSearch: 7 17:02:24 -200.680573 0.000495 LBFGSLineSearch: 8 17:02:24 -200.680573 0.000416 LBFGSLineSearch: 9 17:02:24 -200.680573 0.000498 LBFGSLineSearch: 10 17:02:25 -200.680573 0.000640 LBFGSLineSearch: 11 17:02:25 -200.680573 0.000724 LBFGSLineSearch: 12 17:02:26 -200.680573 0.000281 LBFGSLineSearch: 13 17:02:27 -200.680573 0.000287 LBFGSLineSearch: 14 17:02:28 -200.680573 0.000157 LBFGSLineSearch: 15 17:02:29 -200.680573 0.000074 LBFGSLineSearch: 16 17:02:31 -200.680573 0.000072 LBFGSLineSearch: 17 17:02:32 -200.680573 0.000022 LBFGSLineSearch: 18 17:02:35 -200.680573 0.000002 Minimization converged after 18 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:42 -201.084374 0.028844 LBFGSLineSearch: 1 17:02:43 -201.084430 0.005793 LBFGSLineSearch: 2 17:02:44 -201.084431 0.003138 LBFGSLineSearch: 3 17:02:45 -201.084431 0.001441 LBFGSLineSearch: 4 17:02:46 -201.084431 0.001162 LBFGSLineSearch: 5 17:02:46 -201.084431 0.000988 LBFGSLineSearch: 6 17:02:46 -201.084431 0.000922 LBFGSLineSearch: 7 17:02:46 -201.084431 0.000823 LBFGSLineSearch: 8 17:02:47 -201.084431 0.000721 LBFGSLineSearch: 9 17:02:47 -201.084432 0.001890 LBFGSLineSearch: 10 17:02:47 -201.084432 0.000845 LBFGSLineSearch: 11 17:02:47 -201.084432 0.000155 LBFGSLineSearch: 12 17:02:47 -201.084432 0.000074 LBFGSLineSearch: 13 17:02:47 -201.084432 0.000062 LBFGSLineSearch: 14 17:02:47 -201.084432 0.000031 LBFGSLineSearch: 15 17:02:47 -201.084432 0.000003 Minimization converged after 15 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:53 -201.488348 0.028852 LBFGSLineSearch: 1 17:02:53 -201.488404 0.005797 LBFGSLineSearch: 2 17:02:53 -201.488405 0.003144 LBFGSLineSearch: 3 17:02:54 -201.488405 0.001442 LBFGSLineSearch: 4 17:02:54 -201.488405 0.001163 LBFGSLineSearch: 5 17:02:54 -201.488405 0.000990 LBFGSLineSearch: 6 17:02:55 -201.488405 0.000914 LBFGSLineSearch: 7 17:02:55 -201.488405 0.000822 LBFGSLineSearch: 8 17:02:56 -201.488406 0.000717 LBFGSLineSearch: 9 17:02:57 -201.488406 0.001889 LBFGSLineSearch: 10 17:02:57 -201.488406 0.000843 LBFGSLineSearch: 11 17:02:57 -201.488406 0.000154 LBFGSLineSearch: 12 17:02:57 -201.488406 0.000073 LBFGSLineSearch: 13 17:02:57 -201.488406 0.000061 LBFGSLineSearch: 14 17:02:58 -201.488406 0.000030 LBFGSLineSearch: 15 17:02:58 -201.488406 0.000004 Minimization converged after 15 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:04 -201.892438 0.028861 LBFGSLineSearch: 1 17:03:07 -201.892494 0.005807 LBFGSLineSearch: 2 17:03:08 -201.892495 0.003150 LBFGSLineSearch: 3 17:03:10 -201.892495 0.001444 LBFGSLineSearch: 4 17:03:11 -201.892495 0.001164 LBFGSLineSearch: 5 17:03:11 -201.892495 0.000991 LBFGSLineSearch: 6 17:03:11 -201.892495 0.000912 LBFGSLineSearch: 7 17:03:11 -201.892496 0.000823 LBFGSLineSearch: 8 17:03:12 -201.892496 0.000716 LBFGSLineSearch: 9 17:03:12 -201.892496 0.001891 LBFGSLineSearch: 10 17:03:12 -201.892496 0.000845 LBFGSLineSearch: 11 17:03:12 -201.892496 0.000155 LBFGSLineSearch: 12 17:03:14 -201.892496 0.000072 LBFGSLineSearch: 13 17:03:14 -201.892496 0.000061 LBFGSLineSearch: 14 17:03:16 -201.892496 0.000031 LBFGSLineSearch: 15 17:03:17 -201.892496 0.000005 Minimization converged after 15 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:24 -202.296644 0.028870 LBFGSLineSearch: 1 17:03:25 -202.296701 0.005817 LBFGSLineSearch: 2 17:03:26 -202.296701 0.003156 LBFGSLineSearch: 3 17:03:28 -202.296702 0.001447 LBFGSLineSearch: 4 17:03:29 -202.296702 0.001165 LBFGSLineSearch: 5 17:03:31 -202.296702 0.000992 LBFGSLineSearch: 6 17:03:32 -202.296702 0.000910 LBFGSLineSearch: 7 17:03:34 -202.296702 0.000823 LBFGSLineSearch: 8 17:03:36 -202.296702 0.000713 LBFGSLineSearch: 9 17:03:37 -202.296702 0.001892 LBFGSLineSearch: 10 17:03:38 -202.296702 0.000848 LBFGSLineSearch: 11 17:03:39 -202.296702 0.000155 LBFGSLineSearch: 12 17:03:40 -202.296702 0.000071 LBFGSLineSearch: 13 17:03:41 -202.296702 0.000060 LBFGSLineSearch: 14 17:03:42 -202.296702 0.000031 LBFGSLineSearch: 15 17:03:43 -202.296702 0.000005 Minimization converged after 15 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:53 -202.700967 0.028878 LBFGSLineSearch: 1 17:03:55 -202.701023 0.005827 LBFGSLineSearch: 2 17:03:55 -202.701024 0.003163 LBFGSLineSearch: 3 17:03:58 -202.701024 0.001449 LBFGSLineSearch: 4 17:03:59 -202.701024 0.001167 LBFGSLineSearch: 5 17:04:00 -202.701025 0.000993 LBFGSLineSearch: 6 17:04:02 -202.701025 0.000908 LBFGSLineSearch: 7 17:04:05 -202.701025 0.000824 LBFGSLineSearch: 8 17:04:08 -202.701025 0.000711 LBFGSLineSearch: 9 17:04:12 -202.701025 0.001893 LBFGSLineSearch: 10 17:04:13 -202.701025 0.000850 LBFGSLineSearch: 11 17:04:14 -202.701025 0.000155 LBFGSLineSearch: 12 17:04:16 -202.701025 0.000071 LBFGSLineSearch: 13 17:04:19 -202.701025 0.000060 LBFGSLineSearch: 14 17:04:22 -202.701025 0.000031 LBFGSLineSearch: 15 17:04:22 -202.701025 0.000005 Minimization converged after 15 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:31 -203.105406 0.028886 LBFGSLineSearch: 1 17:04:32 -203.105463 0.005837 LBFGSLineSearch: 2 17:04:33 -203.105464 0.003169 LBFGSLineSearch: 3 17:04:34 -203.105464 0.001452 LBFGSLineSearch: 4 17:04:35 -203.105464 0.001168 LBFGSLineSearch: 5 17:04:35 -203.105464 0.000994 LBFGSLineSearch: 6 17:04:35 -203.105464 0.000906 LBFGSLineSearch: 7 17:04:36 -203.105464 0.000824 LBFGSLineSearch: 8 17:04:37 -203.105464 0.000709 LBFGSLineSearch: 9 17:04:39 -203.105464 0.001895 LBFGSLineSearch: 10 17:04:39 -203.105465 0.000853 LBFGSLineSearch: 11 17:04:40 -203.105465 0.000155 LBFGSLineSearch: 12 17:04:43 -203.105465 0.000070 LBFGSLineSearch: 13 17:04:44 -203.105465 0.000059 LBFGSLineSearch: 14 17:04:45 -203.105465 0.000031 LBFGSLineSearch: 15 17:04:47 -203.105465 0.000005 Minimization converged after 15 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:57 -203.509963 0.028895 LBFGSLineSearch: 1 17:04:58 -203.510020 0.005847 LBFGSLineSearch: 2 17:05:00 -203.510021 0.003175 LBFGSLineSearch: 3 17:05:01 -203.510021 0.001455 LBFGSLineSearch: 4 17:05:02 -203.510021 0.001169 LBFGSLineSearch: 5 17:05:03 -203.510021 0.000996 LBFGSLineSearch: 6 17:05:04 -203.510021 0.000903 LBFGSLineSearch: 7 17:05:05 -203.510021 0.000824 LBFGSLineSearch: 8 17:05:05 -203.510021 0.000707 LBFGSLineSearch: 9 17:05:06 -203.510021 0.001896 LBFGSLineSearch: 10 17:05:07 -203.510021 0.000855 LBFGSLineSearch: 11 17:05:08 -203.510021 0.000155 LBFGSLineSearch: 12 17:05:09 -203.510021 0.000069 LBFGSLineSearch: 13 17:05:09 -203.510021 0.000059 LBFGSLineSearch: 14 17:05:09 -203.510021 0.000032 LBFGSLineSearch: 15 17:05:10 -203.510021 0.000005 Minimization converged after 15 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:17 -203.914637 0.028903 LBFGSLineSearch: 1 17:05:17 -203.914695 0.005857 LBFGSLineSearch: 2 17:05:17 -203.914696 0.003377 LBFGSLineSearch: 3 17:05:18 -203.914696 0.001813 LBFGSLineSearch: 4 17:05:18 -203.914696 0.000901 LBFGSLineSearch: 5 17:05:18 -203.914697 0.000780 LBFGSLineSearch: 6 17:05:19 -203.914697 0.001009 LBFGSLineSearch: 7 17:05:21 -203.914697 0.000337 LBFGSLineSearch: 8 17:05:22 -203.914697 0.000247 LBFGSLineSearch: 9 17:05:24 -203.914697 0.000316 LBFGSLineSearch: 10 17:05:25 -203.914697 0.000253 LBFGSLineSearch: 11 17:05:26 -203.914697 0.000193 LBFGSLineSearch: 12 17:05:27 -203.914697 0.000200 LBFGSLineSearch: 13 17:05:28 -203.914697 0.000127 LBFGSLineSearch: 14 17:05:29 -203.914697 0.000079 LBFGSLineSearch: 15 17:05:29 -203.914697 0.000059 LBFGSLineSearch: 16 17:05:30 -203.914697 0.000015 LBFGSLineSearch: 17 17:05:31 -203.914697 0.000000 Minimization converged after 17 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:37 -204.319432 0.028910 LBFGSLineSearch: 1 17:05:38 -204.319489 0.005864 LBFGSLineSearch: 2 17:05:39 -204.319490 0.003188 LBFGSLineSearch: 3 17:05:39 -204.319490 0.001461 LBFGSLineSearch: 4 17:05:40 -204.319490 0.001172 LBFGSLineSearch: 5 17:05:41 -204.319490 0.000998 LBFGSLineSearch: 6 17:05:43 -204.319490 0.000902 LBFGSLineSearch: 7 17:05:44 -204.319490 0.000826 LBFGSLineSearch: 8 17:05:44 -204.319490 0.000703 LBFGSLineSearch: 9 17:05:45 -204.319490 0.001898 LBFGSLineSearch: 10 17:05:45 -204.319491 0.000869 LBFGSLineSearch: 11 17:05:45 -204.319491 0.000154 LBFGSLineSearch: 12 17:05:45 -204.319491 0.000069 LBFGSLineSearch: 13 17:05:46 -204.319491 0.000058 LBFGSLineSearch: 14 17:05:46 -204.319491 0.000032 LBFGSLineSearch: 15 17:05:46 -204.319491 0.000004 Minimization converged after 15 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:52 -204.724343 0.028920 LBFGSLineSearch: 1 17:05:53 -204.724401 0.005879 LBFGSLineSearch: 2 17:05:55 -204.724402 0.003196 LBFGSLineSearch: 3 17:05:56 -204.724402 0.001463 LBFGSLineSearch: 4 17:05:57 -204.724402 0.001173 LBFGSLineSearch: 5 17:05:57 -204.724402 0.000999 LBFGSLineSearch: 6 17:05:57 -204.724402 0.000897 LBFGSLineSearch: 7 17:05:58 -204.724402 0.000826 LBFGSLineSearch: 8 17:05:59 -204.724402 0.000700 LBFGSLineSearch: 9 17:06:00 -204.724402 0.001899 LBFGSLineSearch: 10 17:06:02 -204.724403 0.000863 LBFGSLineSearch: 11 17:06:02 -204.724403 0.000156 LBFGSLineSearch: 12 17:06:05 -204.724403 0.000068 LBFGSLineSearch: 13 17:06:06 -204.724403 0.000057 LBFGSLineSearch: 14 17:06:08 -204.724403 0.000032 LBFGSLineSearch: 15 17:06:09 -204.724403 0.000006 Minimization converged after 15 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:17 -205.129374 0.028929 LBFGSLineSearch: 1 17:06:18 -205.129431 0.005889 LBFGSLineSearch: 2 17:06:19 -205.129432 0.003202 LBFGSLineSearch: 3 17:06:20 -205.129432 0.001466 LBFGSLineSearch: 4 17:06:22 -205.129432 0.001174 LBFGSLineSearch: 5 17:06:23 -205.129432 0.001001 LBFGSLineSearch: 6 17:06:24 -205.129433 0.000895 LBFGSLineSearch: 7 17:06:26 -205.129433 0.000826 LBFGSLineSearch: 8 17:06:26 -205.129433 0.000698 LBFGSLineSearch: 9 17:06:27 -205.129433 0.001900 LBFGSLineSearch: 10 17:06:28 -205.129433 0.000865 LBFGSLineSearch: 11 17:06:29 -205.129433 0.000156 LBFGSLineSearch: 12 17:06:30 -205.129433 0.000067 LBFGSLineSearch: 13 17:06:30 -205.129433 0.000057 LBFGSLineSearch: 14 17:06:30 -205.129433 0.000032 LBFGSLineSearch: 15 17:06:31 -205.129433 0.000006 Minimization converged after 15 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:37 -205.534523 0.028938 LBFGSLineSearch: 1 17:06:38 -205.534580 0.005900 LBFGSLineSearch: 2 17:06:39 -205.534581 0.003209 LBFGSLineSearch: 3 17:06:40 -205.534581 0.001468 LBFGSLineSearch: 4 17:06:41 -205.534582 0.001176 LBFGSLineSearch: 5 17:06:42 -205.534582 0.001002 LBFGSLineSearch: 6 17:06:43 -205.534582 0.000892 LBFGSLineSearch: 7 17:06:45 -205.534582 0.000827 LBFGSLineSearch: 8 17:06:46 -205.534582 0.000696 LBFGSLineSearch: 9 17:06:48 -205.534582 0.001901 LBFGSLineSearch: 10 17:06:48 -205.534582 0.000867 LBFGSLineSearch: 11 17:06:49 -205.534582 0.000156 LBFGSLineSearch: 12 17:06:51 -205.534582 0.000066 LBFGSLineSearch: 13 17:06:52 -205.534582 0.000056 LBFGSLineSearch: 14 17:06:52 -205.534582 0.000032 LBFGSLineSearch: 15 17:06:55 -205.534582 0.000006 Minimization converged after 15 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:03 -205.939791 0.028946 LBFGSLineSearch: 1 17:07:04 -205.939849 0.005910 LBFGSLineSearch: 2 17:07:05 -205.939849 0.003215 LBFGSLineSearch: 3 17:07:06 -205.939850 0.001471 LBFGSLineSearch: 4 17:07:06 -205.939850 0.001177 LBFGSLineSearch: 5 17:07:06 -205.939850 0.001003 LBFGSLineSearch: 6 17:07:07 -205.939850 0.000890 LBFGSLineSearch: 7 17:07:08 -205.939850 0.000827 LBFGSLineSearch: 8 17:07:09 -205.939850 0.000694 LBFGSLineSearch: 9 17:07:10 -205.939850 0.001902 LBFGSLineSearch: 10 17:07:10 -205.939850 0.000869 LBFGSLineSearch: 11 17:07:11 -205.939850 0.000156 LBFGSLineSearch: 12 17:07:12 -205.939850 0.000065 LBFGSLineSearch: 13 17:07:13 -205.939850 0.000055 LBFGSLineSearch: 14 17:07:16 -205.939850 0.000032 LBFGSLineSearch: 15 17:07:17 -205.939850 0.000006 Minimization converged after 15 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:25 -206.345178 0.028955 LBFGSLineSearch: 1 17:07:26 -206.345236 0.005920 LBFGSLineSearch: 2 17:07:27 -206.345237 0.003222 LBFGSLineSearch: 3 17:07:28 -206.345237 0.001474 LBFGSLineSearch: 4 17:07:30 -206.345237 0.001178 LBFGSLineSearch: 5 17:07:32 -206.345237 0.001005 LBFGSLineSearch: 6 17:07:33 -206.345237 0.000888 LBFGSLineSearch: 7 17:07:33 -206.345237 0.000828 LBFGSLineSearch: 8 17:07:34 -206.345237 0.000691 LBFGSLineSearch: 9 17:07:35 -206.345238 0.001903 LBFGSLineSearch: 10 17:07:35 -206.345238 0.000872 LBFGSLineSearch: 11 17:07:36 -206.345238 0.000156 LBFGSLineSearch: 12 17:07:37 -206.345238 0.000065 LBFGSLineSearch: 13 17:07:38 -206.345238 0.000055 LBFGSLineSearch: 14 17:07:39 -206.345238 0.000033 LBFGSLineSearch: 15 17:07:41 -206.345238 0.000006 Minimization converged after 15 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:49 -206.750685 0.028963 LBFGSLineSearch: 1 17:07:51 -206.750743 0.005931 LBFGSLineSearch: 2 17:07:52 -206.750745 0.003699 LBFGSLineSearch: 3 17:07:53 -206.750745 0.002509 LBFGSLineSearch: 4 17:07:54 -206.750745 0.002805 LBFGSLineSearch: 5 17:07:56 -206.750746 0.001648 LBFGSLineSearch: 6 17:07:57 -206.750747 0.001938 LBFGSLineSearch: 7 17:07:59 -206.750747 0.001921 LBFGSLineSearch: 8 17:07:59 -206.750747 0.002311 LBFGSLineSearch: 9 17:08:00 -206.750748 0.001815 LBFGSLineSearch: 10 17:08:00 -206.750748 0.000697 LBFGSLineSearch: 11 17:08:02 -206.750748 0.000409 LBFGSLineSearch: 12 17:08:03 -206.750748 0.000368 LBFGSLineSearch: 13 17:08:04 -206.750748 0.000283 LBFGSLineSearch: 14 17:08:04 -206.750748 0.000093 LBFGSLineSearch: 15 17:08:05 -206.750748 0.000061 LBFGSLineSearch: 16 17:08:05 -206.750748 0.000007 Minimization converged after 16 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:12 -207.156323 0.028972 LBFGSLineSearch: 1 17:08:13 -207.156382 0.005938 LBFGSLineSearch: 2 17:08:14 -207.156383 0.003235 LBFGSLineSearch: 3 17:08:14 -207.156383 0.001478 LBFGSLineSearch: 4 17:08:14 -207.156383 0.001181 LBFGSLineSearch: 5 17:08:15 -207.156383 0.001006 LBFGSLineSearch: 6 17:08:16 -207.156383 0.000888 LBFGSLineSearch: 7 17:08:16 -207.156383 0.000829 LBFGSLineSearch: 8 17:08:18 -207.156383 0.000686 LBFGSLineSearch: 9 17:08:20 -207.156383 0.001906 LBFGSLineSearch: 10 17:08:22 -207.156383 0.000880 LBFGSLineSearch: 11 17:08:23 -207.156383 0.000156 LBFGSLineSearch: 12 17:08:23 -207.156383 0.000064 LBFGSLineSearch: 13 17:08:23 -207.156383 0.000054 LBFGSLineSearch: 14 17:08:23 -207.156383 0.000034 LBFGSLineSearch: 15 17:08:25 -207.156383 0.000004 Minimization converged after 15 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:31 -207.562079 0.028980 LBFGSLineSearch: 1 17:08:32 -207.562137 0.005950 LBFGSLineSearch: 2 17:08:32 -207.562138 0.003242 LBFGSLineSearch: 3 17:08:32 -207.562138 0.001482 LBFGSLineSearch: 4 17:08:32 -207.562138 0.001182 LBFGSLineSearch: 5 17:08:33 -207.562138 0.001008 LBFGSLineSearch: 6 17:08:33 -207.562138 0.000882 LBFGSLineSearch: 7 17:08:33 -207.562138 0.000828 LBFGSLineSearch: 8 17:08:35 -207.562139 0.000684 LBFGSLineSearch: 9 17:08:36 -207.562139 0.001907 LBFGSLineSearch: 10 17:08:37 -207.562139 0.000881 LBFGSLineSearch: 11 17:08:38 -207.562139 0.000155 LBFGSLineSearch: 12 17:08:40 -207.562139 0.000062 LBFGSLineSearch: 13 17:08:41 -207.562139 0.000053 LBFGSLineSearch: 14 17:08:43 -207.562139 0.000033 LBFGSLineSearch: 15 17:08:43 -207.562139 0.000005 Minimization converged after 15 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:51 -207.967955 0.028989 LBFGSLineSearch: 1 17:08:53 -207.968013 0.005961 LBFGSLineSearch: 2 17:08:55 -207.968014 0.003249 LBFGSLineSearch: 3 17:08:56 -207.968014 0.001485 LBFGSLineSearch: 4 17:08:58 -207.968014 0.001183 LBFGSLineSearch: 5 17:09:00 -207.968014 0.001009 LBFGSLineSearch: 6 17:09:01 -207.968015 0.000880 LBFGSLineSearch: 7 17:09:02 -207.968015 0.000829 LBFGSLineSearch: 8 17:09:03 -207.968015 0.000682 LBFGSLineSearch: 9 17:09:04 -207.968015 0.001908 LBFGSLineSearch: 10 17:09:04 -207.968015 0.000882 LBFGSLineSearch: 11 17:09:04 -207.968015 0.000155 LBFGSLineSearch: 12 17:09:05 -207.968015 0.000061 LBFGSLineSearch: 13 17:09:05 -207.968015 0.000052 LBFGSLineSearch: 14 17:09:06 -207.968015 0.000033 LBFGSLineSearch: 15 17:09:07 -207.968015 0.000005 Minimization converged after 15 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:15 -208.373952 0.028998 LBFGSLineSearch: 1 17:09:16 -208.374010 0.005972 LBFGSLineSearch: 2 17:09:18 -208.374011 0.003256 LBFGSLineSearch: 3 17:09:20 -208.374011 0.001487 LBFGSLineSearch: 4 17:09:23 -208.374012 0.001185 LBFGSLineSearch: 5 17:09:23 -208.374012 0.001010 LBFGSLineSearch: 6 17:09:24 -208.374012 0.000878 LBFGSLineSearch: 7 17:09:26 -208.374012 0.000830 LBFGSLineSearch: 8 17:09:27 -208.374012 0.000680 LBFGSLineSearch: 9 17:09:27 -208.374012 0.001908 LBFGSLineSearch: 10 17:09:28 -208.374012 0.000885 LBFGSLineSearch: 11 17:09:28 -208.374012 0.000155 LBFGSLineSearch: 12 17:09:28 -208.374012 0.000060 LBFGSLineSearch: 13 17:09:28 -208.374012 0.000052 LBFGSLineSearch: 14 17:09:28 -208.374012 0.000033 LBFGSLineSearch: 15 17:09:29 -208.374012 0.000006 Minimization converged after 15 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:36 -208.780070 0.029007 LBFGSLineSearch: 1 17:09:38 -208.780129 0.005983 LBFGSLineSearch: 2 17:09:39 -208.780130 0.003263 LBFGSLineSearch: 3 17:09:40 -208.780130 0.001490 LBFGSLineSearch: 4 17:09:42 -208.780130 0.001186 LBFGSLineSearch: 5 17:09:43 -208.780130 0.001012 LBFGSLineSearch: 6 17:09:43 -208.780130 0.000876 LBFGSLineSearch: 7 17:09:44 -208.780130 0.000830 LBFGSLineSearch: 8 17:09:46 -208.780130 0.000677 LBFGSLineSearch: 9 17:09:47 -208.780130 0.001909 LBFGSLineSearch: 10 17:09:48 -208.780131 0.000887 LBFGSLineSearch: 11 17:09:49 -208.780131 0.000155 LBFGSLineSearch: 12 17:09:49 -208.780131 0.000060 LBFGSLineSearch: 13 17:09:50 -208.780131 0.000051 LBFGSLineSearch: 14 17:09:50 -208.780131 0.000033 LBFGSLineSearch: 15 17:09:51 -208.780131 0.000006 Minimization converged after 15 steps. Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:56 -209.186310 0.029016 LBFGSLineSearch: 1 17:09:58 -209.186369 0.005994 LBFGSLineSearch: 2 17:09:58 -209.186370 0.003270 LBFGSLineSearch: 3 17:09:58 -209.186370 0.001493 LBFGSLineSearch: 4 17:09:59 -209.186370 0.001188 LBFGSLineSearch: 5 17:09:59 -209.186370 0.001013 LBFGSLineSearch: 6 17:10:00 -209.186370 0.000873 LBFGSLineSearch: 7 17:10:00 -209.186370 0.000830 LBFGSLineSearch: 8 17:10:01 -209.186370 0.000676 LBFGSLineSearch: 9 17:10:02 -209.186370 0.001910 LBFGSLineSearch: 10 17:10:03 -209.186371 0.000888 LBFGSLineSearch: 11 17:10:04 -209.186371 0.000154 LBFGSLineSearch: 12 17:10:05 -209.186371 0.000059 LBFGSLineSearch: 13 17:10:06 -209.186371 0.000050 LBFGSLineSearch: 14 17:10:07 -209.186371 0.000033 LBFGSLineSearch: 15 17:10:09 -209.186371 0.000006 Minimization converged after 15 steps. Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:16 -209.592672 0.029024 LBFGSLineSearch: 1 17:10:17 -209.592731 0.006005 LBFGSLineSearch: 2 17:10:17 -209.592732 0.003277 LBFGSLineSearch: 3 17:10:18 -209.592732 0.001496 LBFGSLineSearch: 4 17:10:18 -209.592732 0.001189 LBFGSLineSearch: 5 17:10:19 -209.592732 0.001014 LBFGSLineSearch: 6 17:10:19 -209.592732 0.000871 LBFGSLineSearch: 7 17:10:21 -209.592732 0.000830 LBFGSLineSearch: 8 17:10:21 -209.592732 0.000673 LBFGSLineSearch: 9 17:10:21 -209.592733 0.001911 LBFGSLineSearch: 10 17:10:22 -209.592733 0.000889 LBFGSLineSearch: 11 17:10:22 -209.592733 0.000154 LBFGSLineSearch: 12 17:10:23 -209.592733 0.000058 LBFGSLineSearch: 13 17:10:24 -209.592733 0.000050 LBFGSLineSearch: 14 17:10:24 -209.592733 0.000033 LBFGSLineSearch: 15 17:10:24 -209.592733 0.000006 Minimization converged after 15 steps. Pressure: -26.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:33 -209.999156 0.029033 LBFGSLineSearch: 1 17:10:34 -209.999215 0.006016 LBFGSLineSearch: 2 17:10:35 -209.999216 0.003284 LBFGSLineSearch: 3 17:10:36 -209.999217 0.001499 LBFGSLineSearch: 4 17:10:38 -209.999217 0.001190 LBFGSLineSearch: 5 17:10:38 -209.999217 0.001015 LBFGSLineSearch: 6 17:10:39 -209.999217 0.000869 LBFGSLineSearch: 7 17:10:39 -209.999217 0.000830 LBFGSLineSearch: 8 17:10:40 -209.999217 0.000671 LBFGSLineSearch: 9 17:10:40 -209.999217 0.001912 LBFGSLineSearch: 10 17:10:41 -209.999217 0.000890 LBFGSLineSearch: 11 17:10:41 -209.999217 0.000153 LBFGSLineSearch: 12 17:10:41 -209.999217 0.000058 LBFGSLineSearch: 13 17:10:41 -209.999217 0.000049 LBFGSLineSearch: 14 17:10:43 -209.999217 0.000033 LBFGSLineSearch: 15 17:10:45 -209.999217 0.000006 Minimization converged after 15 steps. Pressure: -26.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:53 -210.405763 0.029042 LBFGSLineSearch: 1 17:10:54 -210.405823 0.006027 LBFGSLineSearch: 2 17:10:55 -210.405824 0.003291 LBFGSLineSearch: 3 17:10:56 -210.405824 0.001502 LBFGSLineSearch: 4 17:10:56 -210.405824 0.001192 LBFGSLineSearch: 5 17:10:56 -210.405824 0.001016 LBFGSLineSearch: 6 17:10:56 -210.405824 0.000867 LBFGSLineSearch: 7 17:10:57 -210.405824 0.000830 LBFGSLineSearch: 8 17:10:57 -210.405824 0.000670 LBFGSLineSearch: 9 17:10:57 -210.405824 0.001913 LBFGSLineSearch: 10 17:10:57 -210.405824 0.000890 LBFGSLineSearch: 11 17:10:57 -210.405824 0.000152 LBFGSLineSearch: 12 17:10:58 -210.405824 0.000057 LBFGSLineSearch: 13 17:10:58 -210.405824 0.000049 LBFGSLineSearch: 14 17:10:58 -210.405824 0.000033 LBFGSLineSearch: 15 17:10:58 -210.405824 0.000006 Minimization converged after 15 steps. Pressure: -27.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:05 -210.812493 0.029051 LBFGSLineSearch: 1 17:11:06 -210.812553 0.006038 LBFGSLineSearch: 2 17:11:06 -210.812554 0.003298 LBFGSLineSearch: 3 17:11:06 -210.812554 0.001505 LBFGSLineSearch: 4 17:11:06 -210.812554 0.001193 LBFGSLineSearch: 5 17:11:07 -210.812554 0.001017 LBFGSLineSearch: 6 17:11:07 -210.812554 0.000865 LBFGSLineSearch: 7 17:11:07 -210.812554 0.000830 LBFGSLineSearch: 8 17:11:07 -210.812554 0.000668 LBFGSLineSearch: 9 17:11:07 -210.812554 0.001916 LBFGSLineSearch: 10 17:11:07 -210.812554 0.000891 LBFGSLineSearch: 11 17:11:08 -210.812554 0.000151 LBFGSLineSearch: 12 17:11:08 -210.812554 0.000056 LBFGSLineSearch: 13 17:11:08 -210.812554 0.000048 LBFGSLineSearch: 14 17:11:09 -210.812554 0.000033 LBFGSLineSearch: 15 17:11:10 -210.812554 0.000006 Minimization converged after 15 steps. Pressure: -27.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:15 -211.219346 0.029060 LBFGSLineSearch: 1 17:11:17 -211.219406 0.006049 LBFGSLineSearch: 2 17:11:17 -211.219407 0.003305 LBFGSLineSearch: 3 17:11:19 -211.219407 0.001508 LBFGSLineSearch: 4 17:11:23 -211.219407 0.001194 LBFGSLineSearch: 5 17:11:27 -211.219407 0.001018 LBFGSLineSearch: 6 17:11:29 -211.219408 0.000863 LBFGSLineSearch: 7 17:11:29 -211.219408 0.000830 LBFGSLineSearch: 8 17:11:30 -211.219408 0.000666 LBFGSLineSearch: 9 17:11:31 -211.219408 0.001916 LBFGSLineSearch: 10 17:11:31 -211.219408 0.000892 LBFGSLineSearch: 11 17:11:31 -211.219408 0.000151 LBFGSLineSearch: 12 17:11:31 -211.219408 0.000055 LBFGSLineSearch: 13 17:11:32 -211.219408 0.000047 LBFGSLineSearch: 14 17:11:33 -211.219408 0.000033 LBFGSLineSearch: 15 17:11:33 -211.219408 0.000006 Minimization converged after 15 steps. Pressure: -28.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:39 -211.626323 0.029068 LBFGSLineSearch: 1 17:11:39 -211.626383 0.006060 LBFGSLineSearch: 2 17:11:41 -211.626384 0.003312 LBFGSLineSearch: 3 17:11:42 -211.626385 0.001511 LBFGSLineSearch: 4 17:11:43 -211.626385 0.001196 LBFGSLineSearch: 5 17:11:44 -211.626385 0.001020 LBFGSLineSearch: 6 17:11:44 -211.626385 0.000860 LBFGSLineSearch: 7 17:11:44 -211.626385 0.000830 LBFGSLineSearch: 8 17:11:44 -211.626385 0.000664 LBFGSLineSearch: 9 17:11:45 -211.626385 0.001917 LBFGSLineSearch: 10 17:11:45 -211.626385 0.000893 LBFGSLineSearch: 11 17:11:45 -211.626385 0.000150 LBFGSLineSearch: 12 17:11:46 -211.626385 0.000055 LBFGSLineSearch: 13 17:11:47 -211.626385 0.000047 LBFGSLineSearch: 14 17:11:49 -211.626385 0.000033 LBFGSLineSearch: 15 17:11:51 -211.626385 0.000006 Minimization converged after 15 steps. Pressure: -28.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:58 -212.033424 0.029077 LBFGSLineSearch: 1 17:11:59 -212.033485 0.006071 LBFGSLineSearch: 2 17:12:00 -212.033486 0.003320 LBFGSLineSearch: 3 17:12:00 -212.033486 0.001514 LBFGSLineSearch: 4 17:12:01 -212.033486 0.001197 LBFGSLineSearch: 5 17:12:02 -212.033486 0.001021 LBFGSLineSearch: 6 17:12:03 -212.033486 0.000858 LBFGSLineSearch: 7 17:12:03 -212.033486 0.000829 LBFGSLineSearch: 8 17:12:03 -212.033486 0.000662 LBFGSLineSearch: 9 17:12:04 -212.033486 0.001920 LBFGSLineSearch: 10 17:12:06 -212.033486 0.000894 LBFGSLineSearch: 11 17:12:07 -212.033486 0.000149 LBFGSLineSearch: 12 17:12:07 -212.033486 0.000054 LBFGSLineSearch: 13 17:12:08 -212.033486 0.000046 LBFGSLineSearch: 14 17:12:08 -212.033486 0.000033 LBFGSLineSearch: 15 17:12:09 -212.033486 0.000006 Minimization converged after 15 steps. Pressure: -29.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:14 -212.440650 0.029086 LBFGSLineSearch: 1 17:12:16 -212.440713 0.006083 LBFGSLineSearch: 2 17:12:18 -212.440714 0.003960 LBFGSLineSearch: 3 17:12:20 -212.440714 0.002654 LBFGSLineSearch: 4 17:12:21 -212.440715 0.002825 LBFGSLineSearch: 5 17:12:22 -212.440715 0.002014 LBFGSLineSearch: 6 17:12:24 -212.440716 0.001441 LBFGSLineSearch: 7 17:12:24 -212.440716 0.001602 LBFGSLineSearch: 8 17:12:25 -212.440716 0.001678 LBFGSLineSearch: 9 17:12:26 -212.440716 0.001409 LBFGSLineSearch: 10 17:12:26 -212.440716 0.001074 LBFGSLineSearch: 11 17:12:26 -212.440716 0.001459 LBFGSLineSearch: 12 17:12:27 -212.440717 0.001050 LBFGSLineSearch: 13 17:12:27 -212.440717 0.000401 LBFGSLineSearch: 14 17:12:28 -212.440717 0.000463 LBFGSLineSearch: 15 17:12:31 -212.440717 0.000136 LBFGSLineSearch: 16 17:12:34 -212.440717 0.000014 LBFGSLineSearch: 17 17:12:35 -212.440717 0.000001 Minimization converged after 17 steps. Pressure: -29.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:42 -212.848012 0.029093 LBFGSLineSearch: 1 17:12:42 -212.848072 0.006090 LBFGSLineSearch: 2 17:12:43 -212.848073 0.003334 LBFGSLineSearch: 3 17:12:45 -212.848074 0.001520 LBFGSLineSearch: 4 17:12:45 -212.848074 0.001201 LBFGSLineSearch: 5 17:12:47 -212.848074 0.001023 LBFGSLineSearch: 6 17:12:48 -212.848074 0.000859 LBFGSLineSearch: 7 17:12:48 -212.848074 0.000831 LBFGSLineSearch: 8 17:12:49 -212.848074 0.000658 LBFGSLineSearch: 9 17:12:50 -212.848074 0.001921 LBFGSLineSearch: 10 17:12:50 -212.848074 0.000907 LBFGSLineSearch: 11 17:12:50 -212.848074 0.000148 LBFGSLineSearch: 12 17:12:51 -212.848074 0.000051 LBFGSLineSearch: 13 17:12:52 -212.848074 0.000044 LBFGSLineSearch: 14 17:12:52 -212.848074 0.000033 LBFGSLineSearch: 15 17:12:55 -212.848074 0.000004 Minimization converged after 15 steps. Pressure: -30.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:03 -213.255494 0.029104 LBFGSLineSearch: 1 17:13:04 -213.255555 0.006105 LBFGSLineSearch: 2 17:13:07 -213.255556 0.003342 LBFGSLineSearch: 3 17:13:10 -213.255556 0.001522 LBFGSLineSearch: 4 17:13:13 -213.255556 0.001202 LBFGSLineSearch: 5 17:13:15 -213.255556 0.001024 LBFGSLineSearch: 6 17:13:16 -213.255556 0.000853 LBFGSLineSearch: 7 17:13:18 -213.255556 0.000830 LBFGSLineSearch: 8 17:13:18 -213.255556 0.000656 LBFGSLineSearch: 9 17:13:19 -213.255557 0.001922 LBFGSLineSearch: 10 17:13:19 -213.255557 0.000897 LBFGSLineSearch: 11 17:13:19 -213.255557 0.000148 LBFGSLineSearch: 12 17:13:19 -213.255557 0.000049 LBFGSLineSearch: 13 17:13:19 -213.255557 0.000043 LBFGSLineSearch: 14 17:13:20 -213.255557 0.000032 LBFGSLineSearch: 15 17:13:21 -213.255557 0.000005 Minimization converged after 15 steps. Pressure: -30.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:28 -213.663102 0.029113 LBFGSLineSearch: 1 17:13:30 -213.663163 0.006116 LBFGSLineSearch: 2 17:13:32 -213.663164 0.003349 LBFGSLineSearch: 3 17:13:33 -213.663164 0.001525 LBFGSLineSearch: 4 17:13:34 -213.663164 0.001203 LBFGSLineSearch: 5 17:13:34 -213.663164 0.001025 LBFGSLineSearch: 6 17:13:35 -213.663164 0.000851 LBFGSLineSearch: 7 17:13:36 -213.663164 0.000830 LBFGSLineSearch: 8 17:13:36 -213.663165 0.000654 LBFGSLineSearch: 9 17:13:38 -213.663165 0.001923 LBFGSLineSearch: 10 17:13:39 -213.663165 0.000898 LBFGSLineSearch: 11 17:13:40 -213.663165 0.000148 LBFGSLineSearch: 12 17:13:41 -213.663165 0.000048 LBFGSLineSearch: 13 17:13:42 -213.663165 0.000042 LBFGSLineSearch: 14 17:13:43 -213.663165 0.000032 LBFGSLineSearch: 15 17:13:45 -213.663165 0.000005 Minimization converged after 15 steps. Pressure: -31.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:51 -214.070836 0.029122 LBFGSLineSearch: 1 17:13:52 -214.070897 0.006128 LBFGSLineSearch: 2 17:13:54 -214.070898 0.003356 LBFGSLineSearch: 3 17:13:56 -214.070898 0.001528 LBFGSLineSearch: 4 17:13:57 -214.070898 0.001205 LBFGSLineSearch: 5 17:13:58 -214.070898 0.001027 LBFGSLineSearch: 6 17:13:58 -214.070898 0.000849 LBFGSLineSearch: 7 17:13:58 -214.070898 0.000830 LBFGSLineSearch: 8 17:13:59 -214.070898 0.000652 LBFGSLineSearch: 9 17:13:59 -214.070899 0.001925 LBFGSLineSearch: 10 17:13:59 -214.070899 0.000899 LBFGSLineSearch: 11 17:13:59 -214.070899 0.000148 LBFGSLineSearch: 12 17:13:59 -214.070899 0.000048 LBFGSLineSearch: 13 17:13:59 -214.070899 0.000041 LBFGSLineSearch: 14 17:13:59 -214.070899 0.000032 LBFGSLineSearch: 15 17:14:00 -214.070899 0.000005 Minimization converged after 15 steps. Pressure: -31.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:06 -214.478696 0.029131 LBFGSLineSearch: 1 17:14:07 -214.478757 0.006140 LBFGSLineSearch: 2 17:14:08 -214.478758 0.003364 LBFGSLineSearch: 3 17:14:08 -214.478758 0.001532 LBFGSLineSearch: 4 17:14:08 -214.478758 0.001206 LBFGSLineSearch: 5 17:14:08 -214.478758 0.001028 LBFGSLineSearch: 6 17:14:09 -214.478758 0.000846 LBFGSLineSearch: 7 17:14:09 -214.478758 0.000829 LBFGSLineSearch: 8 17:14:09 -214.478759 0.000651 LBFGSLineSearch: 9 17:14:10 -214.478759 0.001925 LBFGSLineSearch: 10 17:14:10 -214.478759 0.000898 LBFGSLineSearch: 11 17:14:12 -214.478759 0.000147 LBFGSLineSearch: 12 17:14:13 -214.478759 0.000047 LBFGSLineSearch: 13 17:14:14 -214.478759 0.000040 LBFGSLineSearch: 14 17:14:14 -214.478759 0.000032 LBFGSLineSearch: 15 17:14:14 -214.478759 0.000005 Minimization converged after 15 steps. Pressure: -32.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:21 -214.886682 0.029140 LBFGSLineSearch: 1 17:14:22 -214.886744 0.006151 LBFGSLineSearch: 2 17:14:23 -214.886745 0.003372 LBFGSLineSearch: 3 17:14:24 -214.886745 0.001535 LBFGSLineSearch: 4 17:14:25 -214.886745 0.001208 LBFGSLineSearch: 5 17:14:25 -214.886745 0.001029 LBFGSLineSearch: 6 17:14:25 -214.886745 0.000844 LBFGSLineSearch: 7 17:14:25 -214.886745 0.000830 LBFGSLineSearch: 8 17:14:26 -214.886745 0.000648 LBFGSLineSearch: 9 17:14:26 -214.886745 0.001928 LBFGSLineSearch: 10 17:14:26 -214.886745 0.000900 LBFGSLineSearch: 11 17:14:26 -214.886746 0.000147 LBFGSLineSearch: 12 17:14:27 -214.886746 0.000046 LBFGSLineSearch: 13 17:14:28 -214.886746 0.000040 LBFGSLineSearch: 14 17:14:29 -214.886746 0.000031 LBFGSLineSearch: 15 17:14:30 -214.886746 0.000005 Minimization converged after 15 steps. Pressure: -32.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:37 -215.294796 0.029150 LBFGSLineSearch: 1 17:14:38 -215.294857 0.006163 LBFGSLineSearch: 2 17:14:39 -215.294858 0.003379 LBFGSLineSearch: 3 17:14:40 -215.294858 0.001538 LBFGSLineSearch: 4 17:14:41 -215.294859 0.001209 LBFGSLineSearch: 5 17:14:42 -215.294859 0.001030 LBFGSLineSearch: 6 17:14:44 -215.294859 0.000842 LBFGSLineSearch: 7 17:14:44 -215.294859 0.000829 LBFGSLineSearch: 8 17:14:45 -215.294859 0.000646 LBFGSLineSearch: 9 17:14:45 -215.294859 0.001928 LBFGSLineSearch: 10 17:14:46 -215.294859 0.000900 LBFGSLineSearch: 11 17:14:47 -215.294859 0.000147 LBFGSLineSearch: 12 17:14:47 -215.294859 0.000045 LBFGSLineSearch: 13 17:14:48 -215.294859 0.000039 LBFGSLineSearch: 14 17:14:49 -215.294859 0.000031 LBFGSLineSearch: 15 17:14:49 -215.294859 0.000005 Minimization converged after 15 steps. Pressure: -33.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:54 -215.703036 0.029159 LBFGSLineSearch: 1 17:14:55 -215.703101 0.006684 LBFGSLineSearch: 2 17:14:55 -215.703102 0.003595 LBFGSLineSearch: 3 17:14:56 -215.703102 0.001894 LBFGSLineSearch: 4 17:14:56 -215.703102 0.002103 LBFGSLineSearch: 5 17:14:58 -215.703103 0.001676 LBFGSLineSearch: 6 17:14:59 -215.703103 0.001689 LBFGSLineSearch: 7 17:15:00 -215.703103 0.001456 LBFGSLineSearch: 8 17:15:02 -215.703104 0.001294 LBFGSLineSearch: 9 17:15:04 -215.703104 0.001523 LBFGSLineSearch: 10 17:15:04 -215.703104 0.001323 LBFGSLineSearch: 11 17:15:05 -215.703104 0.000972 LBFGSLineSearch: 12 17:15:06 -215.703104 0.000903 LBFGSLineSearch: 13 17:15:08 -215.703104 0.000330 LBFGSLineSearch: 14 17:15:10 -215.703104 0.000038 LBFGSLineSearch: 15 17:15:10 -215.703104 0.000030 LBFGSLineSearch: 16 17:15:10 -215.703104 0.000016 LBFGSLineSearch: 17 17:15:11 -215.703104 0.000000 Minimization converged after 17 steps. Pressure: -33.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:17 -216.111413 0.029165 LBFGSLineSearch: 1 17:15:18 -216.111475 0.006177 LBFGSLineSearch: 2 17:15:18 -216.111476 0.003394 LBFGSLineSearch: 3 17:15:18 -216.111476 0.001545 LBFGSLineSearch: 4 17:15:19 -216.111476 0.001213 LBFGSLineSearch: 5 17:15:20 -216.111476 0.001032 LBFGSLineSearch: 6 17:15:21 -216.111476 0.000841 LBFGSLineSearch: 7 17:15:22 -216.111476 0.000830 LBFGSLineSearch: 8 17:15:25 -216.111476 0.000642 LBFGSLineSearch: 9 17:15:26 -216.111476 0.001929 LBFGSLineSearch: 10 17:15:27 -216.111477 0.000914 LBFGSLineSearch: 11 17:15:28 -216.111477 0.000146 LBFGSLineSearch: 12 17:15:28 -216.111477 0.000046 LBFGSLineSearch: 13 17:15:28 -216.111477 0.000039 LBFGSLineSearch: 14 17:15:29 -216.111477 0.000032 LBFGSLineSearch: 15 17:15:29 -216.111477 0.000004 Minimization converged after 15 steps. Pressure: -34.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:35 -216.519913 0.029177 LBFGSLineSearch: 1 17:15:36 -216.519975 0.006198 LBFGSLineSearch: 2 17:15:36 -216.519976 0.003402 LBFGSLineSearch: 3 17:15:37 -216.519976 0.001547 LBFGSLineSearch: 4 17:15:37 -216.519976 0.001214 LBFGSLineSearch: 5 17:15:38 -216.519977 0.001033 LBFGSLineSearch: 6 17:15:38 -216.519977 0.000835 LBFGSLineSearch: 7 17:15:38 -216.519977 0.000829 LBFGSLineSearch: 8 17:15:38 -216.519977 0.000640 LBFGSLineSearch: 9 17:15:38 -216.519977 0.001931 LBFGSLineSearch: 10 17:15:38 -216.519977 0.000900 LBFGSLineSearch: 11 17:15:38 -216.519977 0.000146 LBFGSLineSearch: 12 17:15:39 -216.519977 0.000044 LBFGSLineSearch: 13 17:15:39 -216.519977 0.000038 LBFGSLineSearch: 14 17:15:39 -216.519977 0.000031 LBFGSLineSearch: 15 17:15:40 -216.519977 0.000005 Minimization converged after 15 steps. Pressure: -34.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:46 -216.928542 0.029186 LBFGSLineSearch: 1 17:15:46 -216.928604 0.006210 LBFGSLineSearch: 2 17:15:46 -216.928605 0.003409 LBFGSLineSearch: 3 17:15:46 -216.928605 0.001550 LBFGSLineSearch: 4 17:15:47 -216.928605 0.001215 LBFGSLineSearch: 5 17:15:47 -216.928605 0.001035 LBFGSLineSearch: 6 17:15:47 -216.928605 0.000833 LBFGSLineSearch: 7 17:15:47 -216.928606 0.000828 LBFGSLineSearch: 8 17:15:47 -216.928606 0.000640 LBFGSLineSearch: 9 17:15:48 -216.928606 0.001933 LBFGSLineSearch: 10 17:15:48 -216.928606 0.000901 LBFGSLineSearch: 11 17:15:48 -216.928606 0.000146 LBFGSLineSearch: 12 17:15:48 -216.928606 0.000043 LBFGSLineSearch: 13 17:15:49 -216.928606 0.000037 LBFGSLineSearch: 14 17:15:49 -216.928606 0.000030 LBFGSLineSearch: 15 17:15:49 -216.928606 0.000005 Minimization converged after 15 steps. Pressure: -35.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:55 -217.337299 0.029196 LBFGSLineSearch: 1 17:15:56 -217.337362 0.006222 LBFGSLineSearch: 2 17:15:57 -217.337363 0.003417 LBFGSLineSearch: 3 17:15:58 -217.337363 0.001554 LBFGSLineSearch: 4 17:15:58 -217.337363 0.001217 LBFGSLineSearch: 5 17:15:58 -217.337363 0.001036 LBFGSLineSearch: 6 17:15:58 -217.337363 0.000831 LBFGSLineSearch: 7 17:15:59 -217.337363 0.000828 LBFGSLineSearch: 8 17:16:00 -217.337363 0.000640 LBFGSLineSearch: 9 17:16:01 -217.337363 0.001933 LBFGSLineSearch: 10 17:16:01 -217.337363 0.000901 LBFGSLineSearch: 11 17:16:02 -217.337364 0.000146 LBFGSLineSearch: 12 17:16:02 -217.337364 0.000042 LBFGSLineSearch: 13 17:16:03 -217.337364 0.000037 LBFGSLineSearch: 14 17:16:04 -217.337364 0.000030 LBFGSLineSearch: 15 17:16:04 -217.337364 0.000005 Minimization converged after 15 steps. Pressure: -35.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:11 -217.746186 0.029205 LBFGSLineSearch: 1 17:16:11 -217.746248 0.006234 LBFGSLineSearch: 2 17:16:12 -217.746250 0.003425 LBFGSLineSearch: 3 17:16:12 -217.746250 0.001557 LBFGSLineSearch: 4 17:16:12 -217.746250 0.001218 LBFGSLineSearch: 5 17:16:12 -217.746250 0.001037 LBFGSLineSearch: 6 17:16:12 -217.746250 0.000829 LBFGSLineSearch: 7 17:16:12 -217.746250 0.000828 LBFGSLineSearch: 8 17:16:13 -217.746250 0.000640 LBFGSLineSearch: 9 17:16:13 -217.746250 0.001936 LBFGSLineSearch: 10 17:16:13 -217.746250 0.000902 LBFGSLineSearch: 11 17:16:13 -217.746250 0.000145 LBFGSLineSearch: 12 17:16:13 -217.746250 0.000041 LBFGSLineSearch: 13 17:16:13 -217.746250 0.000036 LBFGSLineSearch: 14 17:16:13 -217.746250 0.000030 LBFGSLineSearch: 15 17:16:14 -217.746250 0.000005 Minimization converged after 15 steps. Pressure: -36.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:21 -218.155202 0.029214 LBFGSLineSearch: 1 17:16:22 -218.155265 0.006246 LBFGSLineSearch: 2 17:16:23 -218.155266 0.003433 LBFGSLineSearch: 3 17:16:24 -218.155266 0.001560 LBFGSLineSearch: 4 17:16:25 -218.155266 0.001220 LBFGSLineSearch: 5 17:16:26 -218.155266 0.001038 LBFGSLineSearch: 6 17:16:26 -218.155266 0.000827 LBFGSLineSearch: 7 17:16:26 -218.155266 0.000828 LBFGSLineSearch: 8 17:16:26 -218.155266 0.000640 LBFGSLineSearch: 9 17:16:26 -218.155267 0.001939 LBFGSLineSearch: 10 17:16:26 -218.155267 0.000902 LBFGSLineSearch: 11 17:16:27 -218.155267 0.000145 LBFGSLineSearch: 12 17:16:27 -218.155267 0.000041 LBFGSLineSearch: 13 17:16:27 -218.155267 0.000035 LBFGSLineSearch: 14 17:16:27 -218.155267 0.000029 LBFGSLineSearch: 15 17:16:27 -218.155267 0.000005 Minimization converged after 15 steps. Pressure: -36.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:34 -218.564348 0.029223 LBFGSLineSearch: 1 17:16:35 -218.564411 0.006259 LBFGSLineSearch: 2 17:16:36 -218.564412 0.003441 LBFGSLineSearch: 3 17:16:37 -218.564412 0.001564 LBFGSLineSearch: 4 17:16:38 -218.564413 0.001221 LBFGSLineSearch: 5 17:16:38 -218.564413 0.001040 LBFGSLineSearch: 6 17:16:39 -218.564413 0.000825 LBFGSLineSearch: 7 17:16:41 -218.564413 0.000828 LBFGSLineSearch: 8 17:16:41 -218.564413 0.000640 LBFGSLineSearch: 9 17:16:42 -218.564413 0.001936 LBFGSLineSearch: 10 17:16:42 -218.564413 0.000903 LBFGSLineSearch: 11 17:16:42 -218.564413 0.000145 LBFGSLineSearch: 12 17:16:43 -218.564413 0.000040 LBFGSLineSearch: 13 17:16:43 -218.564413 0.000035 LBFGSLineSearch: 14 17:16:43 -218.564413 0.000029 LBFGSLineSearch: 15 17:16:43 -218.564413 0.000005 Minimization converged after 15 steps. Pressure: -37.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:49 -218.973625 0.029233 LBFGSLineSearch: 1 17:16:49 -218.973688 0.006271 LBFGSLineSearch: 2 17:16:49 -218.973689 0.003449 LBFGSLineSearch: 3 17:16:49 -218.973689 0.001567 LBFGSLineSearch: 4 17:16:50 -218.973689 0.001223 LBFGSLineSearch: 5 17:16:50 -218.973689 0.001041 LBFGSLineSearch: 6 17:16:50 -218.973689 0.000823 LBFGSLineSearch: 7 17:16:50 -218.973689 0.000828 LBFGSLineSearch: 8 17:16:50 -218.973689 0.000640 LBFGSLineSearch: 9 17:16:51 -218.973690 0.001938 LBFGSLineSearch: 10 17:16:52 -218.973690 0.000903 LBFGSLineSearch: 11 17:16:53 -218.973690 0.000144 LBFGSLineSearch: 12 17:16:54 -218.973690 0.000039 LBFGSLineSearch: 13 17:16:55 -218.973690 0.000034 LBFGSLineSearch: 14 17:16:56 -218.973690 0.000028 LBFGSLineSearch: 15 17:16:56 -218.973690 0.000005 Minimization converged after 15 steps. Pressure: -37.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:02 -219.383032 0.029242 LBFGSLineSearch: 1 17:17:03 -219.383095 0.006283 LBFGSLineSearch: 2 17:17:03 -219.383096 0.003457 LBFGSLineSearch: 3 17:17:03 -219.383097 0.001570 LBFGSLineSearch: 4 17:17:04 -219.383097 0.001225 LBFGSLineSearch: 5 17:17:04 -219.383097 0.001042 LBFGSLineSearch: 6 17:17:04 -219.383097 0.000821 LBFGSLineSearch: 7 17:17:05 -219.383097 0.000827 LBFGSLineSearch: 8 17:17:06 -219.383097 0.000640 LBFGSLineSearch: 9 17:17:07 -219.383097 0.001939 LBFGSLineSearch: 10 17:17:08 -219.383097 0.000903 LBFGSLineSearch: 11 17:17:09 -219.383097 0.000144 LBFGSLineSearch: 12 17:17:11 -219.383097 0.000038 LBFGSLineSearch: 13 17:17:12 -219.383097 0.000033 LBFGSLineSearch: 14 17:17:12 -219.383097 0.000028 LBFGSLineSearch: 15 17:17:13 -219.383097 0.000005 Minimization converged after 15 steps. Pressure: -38.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:18 -219.792570 0.029252 LBFGSLineSearch: 1 17:17:19 -219.792634 0.006296 LBFGSLineSearch: 2 17:17:20 -219.792635 0.003465 LBFGSLineSearch: 3 17:17:21 -219.792635 0.001574 LBFGSLineSearch: 4 17:17:21 -219.792635 0.001226 LBFGSLineSearch: 5 17:17:22 -219.792635 0.001044 LBFGSLineSearch: 6 17:17:22 -219.792635 0.000819 LBFGSLineSearch: 7 17:17:22 -219.792635 0.000827 LBFGSLineSearch: 8 17:17:23 -219.792635 0.000640 LBFGSLineSearch: 9 17:17:24 -219.792636 0.001941 LBFGSLineSearch: 10 17:17:24 -219.792636 0.000904 LBFGSLineSearch: 11 17:17:25 -219.792636 0.000144 LBFGSLineSearch: 12 17:17:26 -219.792636 0.000037 LBFGSLineSearch: 13 17:17:27 -219.792636 0.000033 LBFGSLineSearch: 14 17:17:28 -219.792636 0.000027 LBFGSLineSearch: 15 17:17:28 -219.792636 0.000005 Minimization converged after 15 steps. Pressure: -38.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:36 -220.202240 0.029261 LBFGSLineSearch: 1 17:17:36 -220.202304 0.006308 LBFGSLineSearch: 2 17:17:37 -220.202305 0.003474 LBFGSLineSearch: 3 17:17:39 -220.202305 0.001577 LBFGSLineSearch: 4 17:17:40 -220.202305 0.001228 LBFGSLineSearch: 5 17:17:41 -220.202305 0.001045 LBFGSLineSearch: 6 17:17:41 -220.202305 0.000817 LBFGSLineSearch: 7 17:17:43 -220.202305 0.000828 LBFGSLineSearch: 8 17:17:45 -220.202305 0.000640 LBFGSLineSearch: 9 17:17:46 -220.202306 0.001941 LBFGSLineSearch: 10 17:17:47 -220.202306 0.000904 LBFGSLineSearch: 11 17:17:47 -220.202306 0.000143 LBFGSLineSearch: 12 17:17:47 -220.202306 0.000037 LBFGSLineSearch: 13 17:17:47 -220.202306 0.000032 LBFGSLineSearch: 14 17:17:48 -220.202306 0.000027 LBFGSLineSearch: 15 17:17:48 -220.202306 0.000005 Minimization converged after 15 steps. Pressure: -39.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:53 -220.612042 0.029270 LBFGSLineSearch: 1 17:17:55 -220.612106 0.006321 LBFGSLineSearch: 2 17:17:55 -220.612107 0.003482 LBFGSLineSearch: 3 17:17:57 -220.612107 0.001581 LBFGSLineSearch: 4 17:17:58 -220.612107 0.001229 LBFGSLineSearch: 5 17:17:58 -220.612107 0.001046 LBFGSLineSearch: 6 17:17:59 -220.612107 0.000815 LBFGSLineSearch: 7 17:17:59 -220.612107 0.000827 LBFGSLineSearch: 8 17:18:01 -220.612107 0.000641 LBFGSLineSearch: 9 17:18:01 -220.612108 0.001942 LBFGSLineSearch: 10 17:18:01 -220.612108 0.000904 LBFGSLineSearch: 11 17:18:01 -220.612108 0.000143 LBFGSLineSearch: 12 17:18:01 -220.612108 0.000036 LBFGSLineSearch: 13 17:18:01 -220.612108 0.000031 LBFGSLineSearch: 14 17:18:01 -220.612108 0.000026 LBFGSLineSearch: 15 17:18:03 -220.612108 0.000005 Minimization converged after 15 steps. Pressure: -39.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:08 -221.021976 0.029280 LBFGSLineSearch: 1 17:18:10 -221.022040 0.006333 LBFGSLineSearch: 2 17:18:12 -221.022041 0.003490 LBFGSLineSearch: 3 17:18:13 -221.022041 0.001584 LBFGSLineSearch: 4 17:18:14 -221.022041 0.001231 LBFGSLineSearch: 5 17:18:14 -221.022041 0.001048 LBFGSLineSearch: 6 17:18:14 -221.022042 0.000813 LBFGSLineSearch: 7 17:18:15 -221.022042 0.000827 LBFGSLineSearch: 8 17:18:15 -221.022042 0.000640 LBFGSLineSearch: 9 17:18:15 -221.022042 0.001942 LBFGSLineSearch: 10 17:18:15 -221.022042 0.000904 LBFGSLineSearch: 11 17:18:16 -221.022042 0.000143 LBFGSLineSearch: 12 17:18:16 -221.022042 0.000035 LBFGSLineSearch: 13 17:18:16 -221.022042 0.000031 LBFGSLineSearch: 14 17:18:17 -221.022042 0.000026 LBFGSLineSearch: 15 17:18:17 -221.022042 0.000005 Minimization converged after 15 steps. Pressure: -40.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:23 -221.432043 0.029289 LBFGSLineSearch: 1 17:18:23 -221.432107 0.006346 LBFGSLineSearch: 2 17:18:24 -221.432108 0.003499 LBFGSLineSearch: 3 17:18:27 -221.432108 0.001588 LBFGSLineSearch: 4 17:18:28 -221.432108 0.001233 LBFGSLineSearch: 5 17:18:28 -221.432108 0.001049 LBFGSLineSearch: 6 17:18:28 -221.432108 0.000810 LBFGSLineSearch: 7 17:18:28 -221.432109 0.000827 LBFGSLineSearch: 8 17:18:29 -221.432109 0.000641 LBFGSLineSearch: 9 17:18:29 -221.432109 0.001944 LBFGSLineSearch: 10 17:18:29 -221.432109 0.000904 LBFGSLineSearch: 11 17:18:29 -221.432109 0.000142 LBFGSLineSearch: 12 17:18:29 -221.432109 0.000034 LBFGSLineSearch: 13 17:18:30 -221.432109 0.000030 LBFGSLineSearch: 14 17:18:30 -221.432109 0.000025 LBFGSLineSearch: 15 17:18:30 -221.432109 0.000005 Minimization converged after 15 steps. Pressure: -40.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:36 -221.842242 0.029299 LBFGSLineSearch: 1 17:18:37 -221.842307 0.006359 LBFGSLineSearch: 2 17:18:38 -221.842308 0.003507 LBFGSLineSearch: 3 17:18:40 -221.842308 0.001591 LBFGSLineSearch: 4 17:18:41 -221.842308 0.001234 LBFGSLineSearch: 5 17:18:42 -221.842309 0.001050 LBFGSLineSearch: 6 17:18:42 -221.842309 0.000808 LBFGSLineSearch: 7 17:18:42 -221.842309 0.000827 LBFGSLineSearch: 8 17:18:43 -221.842309 0.000641 LBFGSLineSearch: 9 17:18:43 -221.842309 0.001945 LBFGSLineSearch: 10 17:18:44 -221.842309 0.000904 LBFGSLineSearch: 11 17:18:44 -221.842309 0.000142 LBFGSLineSearch: 12 17:18:45 -221.842309 0.000033 LBFGSLineSearch: 13 17:18:45 -221.842309 0.000029 LBFGSLineSearch: 14 17:18:46 -221.842309 0.000025 LBFGSLineSearch: 15 17:18:47 -221.842309 0.000005 Minimization converged after 15 steps. Pressure: -41.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:55 -222.252576 0.029308 LBFGSLineSearch: 1 17:18:56 -222.252643 0.008193 LBFGSLineSearch: 2 17:18:57 -222.252645 0.004129 LBFGSLineSearch: 3 17:18:58 -222.252645 0.002166 LBFGSLineSearch: 4 17:18:58 -222.252645 0.002041 LBFGSLineSearch: 5 17:18:59 -222.252646 0.001678 LBFGSLineSearch: 6 17:19:01 -222.252646 0.001574 LBFGSLineSearch: 7 17:19:01 -222.252646 0.001598 LBFGSLineSearch: 8 17:19:02 -222.252647 0.001798 LBFGSLineSearch: 9 17:19:02 -222.252647 0.001545 LBFGSLineSearch: 10 17:19:03 -222.252647 0.001492 LBFGSLineSearch: 11 17:19:03 -222.252648 0.000821 LBFGSLineSearch: 12 17:19:04 -222.252648 0.000687 LBFGSLineSearch: 13 17:19:04 -222.252648 0.000559 LBFGSLineSearch: 14 17:19:04 -222.252648 0.000344 LBFGSLineSearch: 15 17:19:04 -222.252648 0.000081 LBFGSLineSearch: 16 17:19:06 -222.252648 0.000063 LBFGSLineSearch: 17 17:19:06 -222.252648 0.000040 LBFGSLineSearch: 18 17:19:07 -222.252648 0.000004 Minimization converged after 18 steps. Pressure: -41.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:14 -222.663053 0.029315 LBFGSLineSearch: 1 17:19:16 -222.663118 0.006357 LBFGSLineSearch: 2 17:19:17 -222.663119 0.003519 LBFGSLineSearch: 3 17:19:18 -222.663119 0.001599 LBFGSLineSearch: 4 17:19:18 -222.663119 0.001237 LBFGSLineSearch: 5 17:19:19 -222.663119 0.001053 LBFGSLineSearch: 6 17:19:20 -222.663119 0.000804 LBFGSLineSearch: 7 17:19:21 -222.663119 0.000826 LBFGSLineSearch: 8 17:19:21 -222.663119 0.000642 LBFGSLineSearch: 9 17:19:22 -222.663120 0.001945 LBFGSLineSearch: 10 17:19:22 -222.663120 0.000920 LBFGSLineSearch: 11 17:19:23 -222.663120 0.000141 LBFGSLineSearch: 12 17:19:23 -222.663120 0.000033 LBFGSLineSearch: 13 17:19:23 -222.663120 0.000029 LBFGSLineSearch: 14 17:19:23 -222.663120 0.000025 LBFGSLineSearch: 15 17:19:24 -222.663120 0.000004 Minimization converged after 15 steps. Pressure: -42.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:31 -223.073659 0.029327 LBFGSLineSearch: 1 17:19:33 -223.073724 0.006398 LBFGSLineSearch: 2 17:19:35 -223.073725 0.003533 LBFGSLineSearch: 3 17:19:36 -223.073725 0.001602 LBFGSLineSearch: 4 17:19:36 -223.073726 0.001239 LBFGSLineSearch: 5 17:19:37 -223.073726 0.001054 LBFGSLineSearch: 6 17:19:37 -223.073726 0.000802 LBFGSLineSearch: 7 17:19:38 -223.073726 0.000825 LBFGSLineSearch: 8 17:19:38 -223.073726 0.000641 LBFGSLineSearch: 9 17:19:39 -223.073726 0.001947 LBFGSLineSearch: 10 17:19:39 -223.073726 0.000903 LBFGSLineSearch: 11 17:19:39 -223.073726 0.000141 LBFGSLineSearch: 12 17:19:40 -223.073726 0.000032 LBFGSLineSearch: 13 17:19:41 -223.073726 0.000028 LBFGSLineSearch: 14 17:19:43 -223.073726 0.000024 LBFGSLineSearch: 15 17:19:43 -223.073726 0.000005 Minimization converged after 15 steps. Pressure: -42.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:49 -223.484400 0.029337 LBFGSLineSearch: 1 17:19:50 -223.484465 0.006411 LBFGSLineSearch: 2 17:19:50 -223.484466 0.003541 LBFGSLineSearch: 3 17:19:51 -223.484467 0.001605 LBFGSLineSearch: 4 17:19:51 -223.484467 0.001241 LBFGSLineSearch: 5 17:19:51 -223.484467 0.001055 LBFGSLineSearch: 6 17:19:51 -223.484467 0.000800 LBFGSLineSearch: 7 17:19:52 -223.484467 0.000825 LBFGSLineSearch: 8 17:19:52 -223.484467 0.000641 LBFGSLineSearch: 9 17:19:52 -223.484467 0.001949 LBFGSLineSearch: 10 17:19:52 -223.484467 0.000903 LBFGSLineSearch: 11 17:19:53 -223.484467 0.000141 LBFGSLineSearch: 12 17:19:53 -223.484467 0.000030 LBFGSLineSearch: 13 17:19:53 -223.484467 0.000027 LBFGSLineSearch: 14 17:19:54 -223.484467 0.000023 LBFGSLineSearch: 15 17:19:54 -223.484467 0.000005 Minimization converged after 15 steps. Pressure: -43.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:00 -223.895276 0.029347 LBFGSLineSearch: 1 17:20:01 -223.895341 0.006424 LBFGSLineSearch: 2 17:20:03 -223.895343 0.003550 LBFGSLineSearch: 3 17:20:05 -223.895343 0.001609 LBFGSLineSearch: 4 17:20:06 -223.895343 0.001242 LBFGSLineSearch: 5 17:20:07 -223.895343 0.001056 LBFGSLineSearch: 6 17:20:07 -223.895343 0.000798 LBFGSLineSearch: 7 17:20:07 -223.895343 0.000825 LBFGSLineSearch: 8 17:20:08 -223.895343 0.000641 LBFGSLineSearch: 9 17:20:09 -223.895344 0.004684 LBFGSLineSearch: 10 17:20:10 -223.895344 0.006296 LBFGSLineSearch: 11 17:20:10 -223.895345 0.000881 LBFGSLineSearch: 12 17:20:10 -223.895345 0.000494 LBFGSLineSearch: 13 17:20:10 -223.895345 0.000562 LBFGSLineSearch: 14 17:20:11 -223.895345 0.000250 LBFGSLineSearch: 15 17:20:11 -223.895345 0.000092 LBFGSLineSearch: 16 17:20:11 -223.895345 0.000067 LBFGSLineSearch: 17 17:20:12 -223.895345 0.000036 LBFGSLineSearch: 18 17:20:13 -223.895345 0.000001 Minimization converged after 18 steps. Pressure: -43.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:20 -224.306294 0.029354 LBFGSLineSearch: 1 17:20:21 -224.306360 0.006431 LBFGSLineSearch: 2 17:20:22 -224.306361 0.003559 LBFGSLineSearch: 3 17:20:23 -224.306361 0.001612 LBFGSLineSearch: 4 17:20:24 -224.306361 0.001244 LBFGSLineSearch: 5 17:20:24 -224.306361 0.001057 LBFGSLineSearch: 6 17:20:25 -224.306361 0.000798 LBFGSLineSearch: 7 17:20:26 -224.306361 0.000824 LBFGSLineSearch: 8 17:20:26 -224.306361 0.000643 LBFGSLineSearch: 9 17:20:26 -224.306362 0.001948 LBFGSLineSearch: 10 17:20:26 -224.306362 0.000912 LBFGSLineSearch: 11 17:20:27 -224.306362 0.000141 LBFGSLineSearch: 12 17:20:27 -224.306362 0.000031 LBFGSLineSearch: 13 17:20:28 -224.306362 0.000027 LBFGSLineSearch: 14 17:20:29 -224.306362 0.000023 LBFGSLineSearch: 15 17:20:31 -224.306362 0.000004 Minimization converged after 15 steps. Pressure: -44.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:36 -224.717446 0.029366 LBFGSLineSearch: 1 17:20:37 -224.717513 0.005140 LBFGSLineSearch: 2 17:20:39 -224.717515 0.003548 LBFGSLineSearch: 3 17:20:39 -224.717515 0.002118 LBFGSLineSearch: 4 17:20:40 -224.717515 0.001896 LBFGSLineSearch: 5 17:20:40 -224.717515 0.001517 LBFGSLineSearch: 6 17:20:41 -224.717516 0.001681 LBFGSLineSearch: 7 17:20:41 -224.717516 0.000996 LBFGSLineSearch: 8 17:20:41 -224.717516 0.000998 LBFGSLineSearch: 9 17:20:42 -224.717516 0.001605 LBFGSLineSearch: 10 17:20:42 -224.717516 0.002086 LBFGSLineSearch: 11 17:20:42 -224.717516 0.000989 LBFGSLineSearch: 12 17:20:42 -224.717516 0.000998 LBFGSLineSearch: 13 17:20:42 -224.717517 0.000578 LBFGSLineSearch: 14 17:20:42 -224.717517 0.000169 LBFGSLineSearch: 15 17:20:43 -224.717517 0.000113 LBFGSLineSearch: 16 17:20:43 -224.717517 0.000056 LBFGSLineSearch: 17 17:20:43 -224.717517 0.000009 Minimization converged after 17 steps. Pressure: -44.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:49 -225.128741 0.029376 LBFGSLineSearch: 1 17:20:50 -225.128807 0.006448 LBFGSLineSearch: 2 17:20:50 -225.128808 0.003555 LBFGSLineSearch: 3 17:20:50 -225.128808 0.001615 LBFGSLineSearch: 4 17:20:50 -225.128808 0.001245 LBFGSLineSearch: 5 17:20:50 -225.128809 0.001062 LBFGSLineSearch: 6 17:20:51 -225.128809 0.000772 LBFGSLineSearch: 7 17:20:52 -225.128809 0.000818 LBFGSLineSearch: 8 17:20:53 -225.128809 0.000643 LBFGSLineSearch: 9 17:20:55 -225.128809 0.001956 LBFGSLineSearch: 10 17:20:55 -225.128809 0.000880 LBFGSLineSearch: 11 17:20:55 -225.128809 0.000140 LBFGSLineSearch: 12 17:20:55 -225.128809 0.000029 LBFGSLineSearch: 13 17:20:56 -225.128809 0.000025 LBFGSLineSearch: 14 17:20:56 -225.128809 0.000022 LBFGSLineSearch: 15 17:20:56 -225.128809 0.000004 Minimization converged after 15 steps. Pressure: -45.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:03 -225.540170 0.029386 LBFGSLineSearch: 1 17:21:04 -225.540236 0.006476 LBFGSLineSearch: 2 17:21:04 -225.540238 0.003585 LBFGSLineSearch: 3 17:21:04 -225.540238 0.001623 LBFGSLineSearch: 4 17:21:04 -225.540238 0.001248 LBFGSLineSearch: 5 17:21:05 -225.540238 0.001061 LBFGSLineSearch: 6 17:21:05 -225.540238 0.000789 LBFGSLineSearch: 7 17:21:05 -225.540238 0.000823 LBFGSLineSearch: 8 17:21:05 -225.540238 0.000642 LBFGSLineSearch: 9 17:21:05 -225.540238 0.001950 LBFGSLineSearch: 10 17:21:06 -225.540238 0.000901 LBFGSLineSearch: 11 17:21:06 -225.540238 0.000140 LBFGSLineSearch: 12 17:21:07 -225.540238 0.000028 LBFGSLineSearch: 13 17:21:08 -225.540238 0.000025 LBFGSLineSearch: 14 17:21:09 -225.540238 0.000021 LBFGSLineSearch: 15 17:21:10 -225.540238 0.000005 Minimization converged after 15 steps. Pressure: -45.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:17 -225.951736 0.029396 LBFGSLineSearch: 1 17:21:18 -225.951803 0.006489 LBFGSLineSearch: 2 17:21:19 -225.951804 0.003594 LBFGSLineSearch: 3 17:21:21 -225.951804 0.001627 LBFGSLineSearch: 4 17:21:23 -225.951805 0.001250 LBFGSLineSearch: 5 17:21:24 -225.951805 0.001062 LBFGSLineSearch: 6 17:21:25 -225.951805 0.000786 LBFGSLineSearch: 7 17:21:25 -225.951805 0.000822 LBFGSLineSearch: 8 17:21:25 -225.951805 0.000642 LBFGSLineSearch: 9 17:21:26 -225.951805 0.001951 LBFGSLineSearch: 10 17:21:27 -225.951805 0.000901 LBFGSLineSearch: 11 17:21:27 -225.951805 0.000139 LBFGSLineSearch: 12 17:21:28 -225.951805 0.000027 LBFGSLineSearch: 13 17:21:28 -225.951805 0.000024 LBFGSLineSearch: 14 17:21:29 -225.951805 0.000019 LBFGSLineSearch: 15 17:21:30 -225.951805 0.000005 Minimization converged after 15 steps. Pressure: -46.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:35 -226.363441 0.029406 LBFGSLineSearch: 1 17:21:36 -226.363507 0.006503 LBFGSLineSearch: 2 17:21:38 -226.363509 0.003603 LBFGSLineSearch: 3 17:21:39 -226.363509 0.001631 LBFGSLineSearch: 4 17:21:40 -226.363509 0.001252 LBFGSLineSearch: 5 17:21:41 -226.363509 0.001064 LBFGSLineSearch: 6 17:21:42 -226.363509 0.000784 LBFGSLineSearch: 7 17:21:44 -226.363509 0.000822 LBFGSLineSearch: 8 17:21:45 -226.363509 0.000642 LBFGSLineSearch: 9 17:21:46 -226.363509 0.001955 LBFGSLineSearch: 10 17:21:47 -226.363510 0.000901 LBFGSLineSearch: 11 17:21:48 -226.363510 0.000139 LBFGSLineSearch: 12 17:21:49 -226.363510 0.000026 LBFGSLineSearch: 13 17:21:50 -226.363510 0.000023 LBFGSLineSearch: 14 17:21:51 -226.363510 0.000019 LBFGSLineSearch: 15 17:21:53 -226.363510 0.000005 Minimization converged after 15 steps. Pressure: -46.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:00 -226.775283 0.029416 LBFGSLineSearch: 1 17:22:01 -226.775350 0.006516 LBFGSLineSearch: 2 17:22:01 -226.775351 0.003612 LBFGSLineSearch: 3 17:22:01 -226.775352 0.001635 LBFGSLineSearch: 4 17:22:02 -226.775352 0.001254 LBFGSLineSearch: 5 17:22:02 -226.775352 0.001065 LBFGSLineSearch: 6 17:22:02 -226.775352 0.000782 LBFGSLineSearch: 7 17:22:04 -226.775352 0.000822 LBFGSLineSearch: 8 17:22:05 -226.775352 0.000643 LBFGSLineSearch: 9 17:22:06 -226.775352 0.001952 LBFGSLineSearch: 10 17:22:06 -226.775352 0.000901 LBFGSLineSearch: 11 17:22:08 -226.775352 0.000139 LBFGSLineSearch: 12 17:22:08 -226.775352 0.000025 LBFGSLineSearch: 13 17:22:10 -226.775352 0.000022 LBFGSLineSearch: 14 17:22:11 -226.775352 0.000018 LBFGSLineSearch: 15 17:22:13 -226.775352 0.000005 Minimization converged after 15 steps. Pressure: -47.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:19 -227.187264 0.029426 LBFGSLineSearch: 1 17:22:19 -227.187331 0.006530 LBFGSLineSearch: 2 17:22:20 -227.187333 0.003621 LBFGSLineSearch: 3 17:22:20 -227.187333 0.001638 LBFGSLineSearch: 4 17:22:20 -227.187333 0.001256 LBFGSLineSearch: 5 17:22:20 -227.187333 0.001067 LBFGSLineSearch: 6 17:22:20 -227.187333 0.000780 LBFGSLineSearch: 7 17:22:21 -227.187333 0.000822 LBFGSLineSearch: 8 17:22:21 -227.187333 0.000643 LBFGSLineSearch: 9 17:22:21 -227.187333 0.001953 LBFGSLineSearch: 10 17:22:21 -227.187333 0.000900 LBFGSLineSearch: 11 17:22:21 -227.187334 0.000138 LBFGSLineSearch: 12 17:22:21 -227.187334 0.000025 LBFGSLineSearch: 13 17:22:22 -227.187334 0.000022 LBFGSLineSearch: 14 17:22:22 -227.187334 0.000017 LBFGSLineSearch: 15 17:22:22 -227.187334 0.000004 Minimization converged after 15 steps. Pressure: -47.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:27 -227.599384 0.029436 LBFGSLineSearch: 1 17:22:27 -227.599452 0.006543 LBFGSLineSearch: 2 17:22:28 -227.599453 0.003630 LBFGSLineSearch: 3 17:22:29 -227.599453 0.001642 LBFGSLineSearch: 4 17:22:29 -227.599453 0.001257 LBFGSLineSearch: 5 17:22:29 -227.599453 0.001068 LBFGSLineSearch: 6 17:22:30 -227.599453 0.000778 LBFGSLineSearch: 7 17:22:30 -227.599454 0.000821 LBFGSLineSearch: 8 17:22:31 -227.599454 0.000643 LBFGSLineSearch: 9 17:22:31 -227.599454 0.001954 LBFGSLineSearch: 10 17:22:31 -227.599454 0.000900 LBFGSLineSearch: 11 17:22:32 -227.599454 0.000138 LBFGSLineSearch: 12 17:22:32 -227.599454 0.000025 LBFGSLineSearch: 13 17:22:32 -227.599454 0.000021 LBFGSLineSearch: 14 17:22:34 -227.599454 0.000016 LBFGSLineSearch: 15 17:22:35 -227.599454 0.000004 Minimization converged after 15 steps. Pressure: -48.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:42 -228.011644 0.029446 LBFGSLineSearch: 1 17:22:43 -228.011712 0.006557 LBFGSLineSearch: 2 17:22:43 -228.011713 0.003640 LBFGSLineSearch: 3 17:22:44 -228.011713 0.001646 LBFGSLineSearch: 4 17:22:46 -228.011713 0.001259 LBFGSLineSearch: 5 17:22:46 -228.011713 0.001070 LBFGSLineSearch: 6 17:22:46 -228.011713 0.000776 LBFGSLineSearch: 7 17:22:48 -228.011713 0.000821 LBFGSLineSearch: 8 17:22:49 -228.011714 0.000643 LBFGSLineSearch: 9 17:22:50 -228.011714 0.001954 LBFGSLineSearch: 10 17:22:51 -228.011714 0.000899 LBFGSLineSearch: 11 17:22:51 -228.011714 0.000138 LBFGSLineSearch: 12 17:22:51 -228.011714 0.000025 LBFGSLineSearch: 13 17:22:51 -228.011714 0.000020 LBFGSLineSearch: 14 17:22:51 -228.011714 0.000016 LBFGSLineSearch: 15 17:22:51 -228.011714 0.000004 Minimization converged after 15 steps. Pressure: -48.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:57 -228.424044 0.029456 LBFGSLineSearch: 1 17:22:58 -228.424111 0.006571 LBFGSLineSearch: 2 17:22:59 -228.424113 0.003649 LBFGSLineSearch: 3 17:23:00 -228.424113 0.001650 LBFGSLineSearch: 4 17:23:01 -228.424113 0.001261 LBFGSLineSearch: 5 17:23:02 -228.424113 0.001072 LBFGSLineSearch: 6 17:23:02 -228.424113 0.000774 LBFGSLineSearch: 7 17:23:04 -228.424113 0.000821 LBFGSLineSearch: 8 17:23:06 -228.424113 0.000644 LBFGSLineSearch: 9 17:23:07 -228.424114 0.001955 LBFGSLineSearch: 10 17:23:07 -228.424114 0.000899 LBFGSLineSearch: 11 17:23:08 -228.424114 0.000137 LBFGSLineSearch: 12 17:23:09 -228.424114 0.000025 LBFGSLineSearch: 13 17:23:10 -228.424114 0.000019 LBFGSLineSearch: 14 17:23:11 -228.424114 0.000015 LBFGSLineSearch: 15 17:23:12 -228.424114 0.000004 Minimization converged after 15 steps. Pressure: -49.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:17 -228.836584 0.029466 LBFGSLineSearch: 1 17:23:18 -228.836652 0.006585 LBFGSLineSearch: 2 17:23:18 -228.836653 0.003659 LBFGSLineSearch: 3 17:23:18 -228.836653 0.001654 LBFGSLineSearch: 4 17:23:18 -228.836653 0.001263 LBFGSLineSearch: 5 17:23:18 -228.836654 0.001073 LBFGSLineSearch: 6 17:23:18 -228.836654 0.000772 LBFGSLineSearch: 7 17:23:19 -228.836654 0.000821 LBFGSLineSearch: 8 17:23:19 -228.836654 0.000644 LBFGSLineSearch: 9 17:23:19 -228.836654 0.001955 LBFGSLineSearch: 10 17:23:19 -228.836654 0.000898 LBFGSLineSearch: 11 17:23:19 -228.836654 0.000137 LBFGSLineSearch: 12 17:23:21 -228.836654 0.000025 LBFGSLineSearch: 13 17:23:22 -228.836654 0.000019 LBFGSLineSearch: 14 17:23:22 -228.836654 0.000014 LBFGSLineSearch: 15 17:23:23 -228.836654 0.000004 Minimization converged after 15 steps. Pressure: -49.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:28 -229.249265 0.029476 LBFGSLineSearch: 1 17:23:28 -229.249333 0.006599 LBFGSLineSearch: 2 17:23:29 -229.249334 0.003668 LBFGSLineSearch: 3 17:23:30 -229.249335 0.001658 LBFGSLineSearch: 4 17:23:31 -229.249335 0.001265 LBFGSLineSearch: 5 17:23:31 -229.249335 0.001075 LBFGSLineSearch: 6 17:23:31 -229.249335 0.000770 LBFGSLineSearch: 7 17:23:32 -229.249335 0.000820 LBFGSLineSearch: 8 17:23:32 -229.249335 0.000644 LBFGSLineSearch: 9 17:23:33 -229.249335 0.001956 LBFGSLineSearch: 10 17:23:33 -229.249335 0.000897 LBFGSLineSearch: 11 17:23:34 -229.249335 0.000136 LBFGSLineSearch: 12 17:23:34 -229.249335 0.000025 LBFGSLineSearch: 13 17:23:34 -229.249335 0.000018 LBFGSLineSearch: 14 17:23:34 -229.249335 0.000014 LBFGSLineSearch: 15 17:23:35 -229.249335 0.000004 Minimization converged after 15 steps. Pressure: -50.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:40 -229.662087 0.029486 LBFGSLineSearch: 1 17:23:40 -229.662160 0.009771 LBFGSLineSearch: 2 17:23:41 -229.662164 0.006995 LBFGSLineSearch: 3 17:23:41 -229.662165 0.003732 LBFGSLineSearch: 4 17:23:42 -229.662165 0.002713 LBFGSLineSearch: 5 17:23:42 -229.662165 0.002940 LBFGSLineSearch: 6 17:23:42 -229.662166 0.003733 LBFGSLineSearch: 7 17:23:42 -229.662167 0.002165 LBFGSLineSearch: 8 17:23:43 -229.662167 0.001726 LBFGSLineSearch: 9 17:23:43 -229.662168 0.002223 LBFGSLineSearch: 10 17:23:43 -229.662168 0.002786 LBFGSLineSearch: 11 17:23:44 -229.662169 0.001678 LBFGSLineSearch: 12 17:23:44 -229.662169 0.000992 LBFGSLineSearch: 13 17:23:44 -229.662169 0.002083 LBFGSLineSearch: 14 17:23:44 -229.662169 0.000361 LBFGSLineSearch: 15 17:23:45 -229.662169 0.000311 LBFGSLineSearch: 16 17:23:45 -229.662169 0.000229 LBFGSLineSearch: 17 17:23:45 -229.662169 0.000043 LBFGSLineSearch: 18 17:23:46 -229.662169 0.000008 Minimization converged after 18 steps. Pressure: -50.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:50 -230.075072 0.029497 LBFGSLineSearch: 1 17:23:51 -230.075141 0.006645 LBFGSLineSearch: 2 17:23:51 -230.075142 0.003717 LBFGSLineSearch: 3 17:23:51 -230.075142 0.001675 LBFGSLineSearch: 4 17:23:51 -230.075142 0.001268 LBFGSLineSearch: 5 17:23:51 -230.075142 0.001077 LBFGSLineSearch: 6 17:23:51 -230.075142 0.000770 LBFGSLineSearch: 7 17:23:52 -230.075143 0.000821 LBFGSLineSearch: 8 17:23:52 -230.075143 0.000645 LBFGSLineSearch: 9 17:23:52 -230.075143 0.001954 LBFGSLineSearch: 10 17:23:52 -230.075143 0.000916 LBFGSLineSearch: 11 17:23:52 -230.075143 0.000136 LBFGSLineSearch: 12 17:23:52 -230.075143 0.000025 LBFGSLineSearch: 13 17:23:53 -230.075143 0.000016 LBFGSLineSearch: 14 17:23:53 -230.075143 0.000011 LBFGSLineSearch: 15 17:23:53 -230.075143 0.000004 Minimization converged after 15 steps. Pressure: -51.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:59 -230.488188 0.029506 LBFGSLineSearch: 1 17:23:59 -230.488257 0.006641 LBFGSLineSearch: 2 17:23:59 -230.488258 0.003697 LBFGSLineSearch: 3 17:24:00 -230.488258 0.001670 LBFGSLineSearch: 4 17:24:00 -230.488258 0.001270 LBFGSLineSearch: 5 17:24:00 -230.488259 0.001079 LBFGSLineSearch: 6 17:24:00 -230.488259 0.000764 LBFGSLineSearch: 7 17:24:01 -230.488259 0.000819 LBFGSLineSearch: 8 17:24:01 -230.488259 0.000644 LBFGSLineSearch: 9 17:24:01 -230.488259 0.001957 LBFGSLineSearch: 10 17:24:02 -230.488259 0.000897 LBFGSLineSearch: 11 17:24:02 -230.488259 0.000135 LBFGSLineSearch: 12 17:24:02 -230.488259 0.000025 LBFGSLineSearch: 13 17:24:02 -230.488259 0.000015 LBFGSLineSearch: 14 17:24:02 -230.488259 0.000010 Minimization converged after 14 steps. Pressure: -51.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:08 -230.901447 0.029520 LBFGSLineSearch: 1 17:24:08 -230.901516 0.006612 LBFGSLineSearch: 2 17:24:08 -230.901517 0.003703 LBFGSLineSearch: 3 17:24:09 -230.901517 0.001671 LBFGSLineSearch: 4 17:24:09 -230.901517 0.001272 LBFGSLineSearch: 5 17:24:10 -230.901517 0.001081 LBFGSLineSearch: 6 17:24:10 -230.901517 0.000758 LBFGSLineSearch: 7 17:24:10 -230.901518 0.000818 LBFGSLineSearch: 8 17:24:10 -230.901518 0.000645 LBFGSLineSearch: 9 17:24:10 -230.901518 0.001955 LBFGSLineSearch: 10 17:24:11 -230.901518 0.000907 LBFGSLineSearch: 11 17:24:11 -230.901518 0.000134 LBFGSLineSearch: 12 17:24:11 -230.901518 0.000024 LBFGSLineSearch: 13 17:24:11 -230.901518 0.000008 Minimization converged after 13 steps. Pressure: -52.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:17 -231.314848 0.029528 LBFGSLineSearch: 1 17:24:18 -231.314918 0.006675 LBFGSLineSearch: 2 17:24:19 -231.314919 0.003722 LBFGSLineSearch: 3 17:24:20 -231.314919 0.001679 LBFGSLineSearch: 4 17:24:22 -231.314919 0.001276 LBFGSLineSearch: 5 17:24:22 -231.314920 0.001082 LBFGSLineSearch: 6 17:24:23 -231.314920 0.000766 LBFGSLineSearch: 7 17:24:23 -231.314920 0.000820 LBFGSLineSearch: 8 17:24:23 -231.314920 0.000646 LBFGSLineSearch: 9 17:24:24 -231.314920 0.001954 LBFGSLineSearch: 10 17:24:24 -231.314920 0.000910 LBFGSLineSearch: 11 17:24:24 -231.314920 0.000135 LBFGSLineSearch: 12 17:24:24 -231.314920 0.000025 LBFGSLineSearch: 13 17:24:25 -231.314920 0.000009 Minimization converged after 13 steps. Pressure: -52.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:31 -231.728394 0.029540 LBFGSLineSearch: 1 17:24:32 -231.728464 0.006689 LBFGSLineSearch: 2 17:24:33 -231.728465 0.003732 LBFGSLineSearch: 3 17:24:33 -231.728465 0.001683 LBFGSLineSearch: 4 17:24:34 -231.728465 0.001278 LBFGSLineSearch: 5 17:24:34 -231.728465 0.001084 LBFGSLineSearch: 6 17:24:34 -231.728465 0.000764 LBFGSLineSearch: 7 17:24:34 -231.728466 0.000820 LBFGSLineSearch: 8 17:24:35 -231.728466 0.000647 LBFGSLineSearch: 9 17:24:35 -231.728466 0.001955 LBFGSLineSearch: 10 17:24:35 -231.728466 0.000909 LBFGSLineSearch: 11 17:24:36 -231.728466 0.000134 LBFGSLineSearch: 12 17:24:36 -231.728466 0.000025 LBFGSLineSearch: 13 17:24:36 -231.728466 0.000008 Minimization converged after 13 steps. Pressure: -53.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:42 -232.142084 0.029548 LBFGSLineSearch: 1 17:24:42 -232.142154 0.006703 LBFGSLineSearch: 2 17:24:43 -232.142155 0.003742 LBFGSLineSearch: 3 17:24:43 -232.142155 0.001687 LBFGSLineSearch: 4 17:24:44 -232.142155 0.001280 LBFGSLineSearch: 5 17:24:44 -232.142155 0.001085 LBFGSLineSearch: 6 17:24:45 -232.142155 0.000762 LBFGSLineSearch: 7 17:24:45 -232.142156 0.000820 LBFGSLineSearch: 8 17:24:45 -232.142156 0.000647 LBFGSLineSearch: 9 17:24:46 -232.142156 0.001955 LBFGSLineSearch: 10 17:24:46 -232.142156 0.000907 LBFGSLineSearch: 11 17:24:46 -232.142156 0.000134 LBFGSLineSearch: 12 17:24:46 -232.142156 0.000025 LBFGSLineSearch: 13 17:24:46 -232.142156 0.000008 Minimization converged after 13 steps. Pressure: -53.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:52 -232.555918 0.029559 LBFGSLineSearch: 1 17:24:52 -232.555988 0.006718 LBFGSLineSearch: 2 17:24:53 -232.555990 0.003752 LBFGSLineSearch: 3 17:24:54 -232.555990 0.001691 LBFGSLineSearch: 4 17:24:55 -232.555990 0.001282 LBFGSLineSearch: 5 17:24:55 -232.555990 0.001087 LBFGSLineSearch: 6 17:24:56 -232.555990 0.000760 LBFGSLineSearch: 7 17:24:56 -232.555990 0.000819 LBFGSLineSearch: 8 17:24:56 -232.555990 0.000648 LBFGSLineSearch: 9 17:24:57 -232.555990 0.001954 LBFGSLineSearch: 10 17:24:57 -232.555991 0.000906 LBFGSLineSearch: 11 17:24:57 -232.555991 0.000134 LBFGSLineSearch: 12 17:24:57 -232.555991 0.000024 LBFGSLineSearch: 13 17:24:58 -232.555991 0.000008 Minimization converged after 13 steps. Pressure: -54.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:03 -232.969898 0.029568 LBFGSLineSearch: 1 17:25:04 -232.969971 0.006733 LBFGSLineSearch: 2 17:25:06 -232.969973 0.004028 LBFGSLineSearch: 3 17:25:06 -232.969973 0.002412 LBFGSLineSearch: 4 17:25:07 -232.969973 0.002509 LBFGSLineSearch: 5 17:25:08 -232.969973 0.002103 LBFGSLineSearch: 6 17:25:09 -232.969974 0.001611 LBFGSLineSearch: 7 17:25:10 -232.969974 0.002429 LBFGSLineSearch: 8 17:25:11 -232.969975 0.001439 LBFGSLineSearch: 9 17:25:12 -232.969975 0.001451 LBFGSLineSearch: 10 17:25:12 -232.969975 0.001176 LBFGSLineSearch: 11 17:25:12 -232.969976 0.001090 LBFGSLineSearch: 12 17:25:12 -232.969976 0.001044 LBFGSLineSearch: 13 17:25:13 -232.969976 0.000450 LBFGSLineSearch: 14 17:25:13 -232.969976 0.000182 LBFGSLineSearch: 15 17:25:13 -232.969976 0.000127 LBFGSLineSearch: 16 17:25:13 -232.969976 0.000073 LBFGSLineSearch: 17 17:25:14 -232.969976 0.000005 Minimization converged after 17 steps. Pressure: -54.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:20 -233.384037 0.029576 LBFGSLineSearch: 1 17:25:20 -233.384107 0.006731 LBFGSLineSearch: 2 17:25:20 -233.384109 0.003771 LBFGSLineSearch: 3 17:25:20 -233.384109 0.001702 LBFGSLineSearch: 4 17:25:21 -233.384109 0.001284 LBFGSLineSearch: 5 17:25:21 -233.384109 0.001089 LBFGSLineSearch: 6 17:25:21 -233.384109 0.000755 LBFGSLineSearch: 7 17:25:21 -233.384109 0.000818 LBFGSLineSearch: 8 17:25:22 -233.384109 0.000648 LBFGSLineSearch: 9 17:25:22 -233.384109 0.001955 LBFGSLineSearch: 10 17:25:22 -233.384110 0.000912 LBFGSLineSearch: 11 17:25:23 -233.384110 0.000132 LBFGSLineSearch: 12 17:25:23 -233.384110 0.000024 LBFGSLineSearch: 13 17:25:23 -233.384110 0.000011 LBFGSLineSearch: 14 17:25:24 -233.384110 0.000008 Minimization converged after 14 steps. Pressure: -55.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:30 -233.798317 0.029591 LBFGSLineSearch: 1 17:25:31 -233.798387 0.006728 LBFGSLineSearch: 2 17:25:32 -233.798389 0.003774 LBFGSLineSearch: 3 17:25:33 -233.798389 0.001702 LBFGSLineSearch: 4 17:25:33 -233.798389 0.001285 LBFGSLineSearch: 5 17:25:34 -233.798389 0.001092 LBFGSLineSearch: 6 17:25:35 -233.798389 0.000744 LBFGSLineSearch: 7 17:25:35 -233.798389 0.000816 LBFGSLineSearch: 8 17:25:36 -233.798389 0.000647 LBFGSLineSearch: 9 17:25:36 -233.798390 0.001959 LBFGSLineSearch: 10 17:25:36 -233.798390 0.000893 LBFGSLineSearch: 11 17:25:37 -233.798390 0.000132 LBFGSLineSearch: 12 17:25:38 -233.798390 0.000024 LBFGSLineSearch: 13 17:25:38 -233.798390 0.000006 Minimization converged after 13 steps. Pressure: -55.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:45 -234.212743 0.029598 LBFGSLineSearch: 1 17:25:45 -234.212814 0.006777 LBFGSLineSearch: 2 17:25:46 -234.212815 0.003792 LBFGSLineSearch: 3 17:25:47 -234.212816 0.001709 LBFGSLineSearch: 4 17:25:47 -234.212816 0.001289 LBFGSLineSearch: 5 17:25:47 -234.212816 0.001093 LBFGSLineSearch: 6 17:25:47 -234.212816 0.000750 LBFGSLineSearch: 7 17:25:48 -234.212816 0.000818 LBFGSLineSearch: 8 17:25:48 -234.212816 0.000649 LBFGSLineSearch: 9 17:25:48 -234.212816 0.001955 LBFGSLineSearch: 10 17:25:48 -234.212816 0.000899 LBFGSLineSearch: 11 17:25:49 -234.212816 0.000132 LBFGSLineSearch: 12 17:25:49 -234.212816 0.000024 LBFGSLineSearch: 13 17:25:49 -234.212816 0.000007 Minimization converged after 13 steps. Pressure: -56.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:54 -234.627317 0.029610 LBFGSLineSearch: 1 17:25:55 -234.627388 0.006792 LBFGSLineSearch: 2 17:25:55 -234.627389 0.003803 LBFGSLineSearch: 3 17:25:55 -234.627390 0.001713 LBFGSLineSearch: 4 17:25:55 -234.627390 0.001292 LBFGSLineSearch: 5 17:25:56 -234.627390 0.001095 LBFGSLineSearch: 6 17:25:56 -234.627390 0.000748 LBFGSLineSearch: 7 17:25:56 -234.627390 0.000817 LBFGSLineSearch: 8 17:25:56 -234.627390 0.000650 LBFGSLineSearch: 9 17:25:56 -234.627390 0.001954 LBFGSLineSearch: 10 17:25:56 -234.627390 0.000897 LBFGSLineSearch: 11 17:25:57 -234.627390 0.000132 LBFGSLineSearch: 12 17:25:57 -234.627390 0.000024 LBFGSLineSearch: 13 17:25:57 -234.627390 0.000007 Minimization converged after 13 steps. Pressure: -56.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:02 -235.042038 0.029618 LBFGSLineSearch: 1 17:26:03 -235.042109 0.006807 LBFGSLineSearch: 2 17:26:04 -235.042111 0.003813 LBFGSLineSearch: 3 17:26:04 -235.042111 0.001718 LBFGSLineSearch: 4 17:26:05 -235.042111 0.001293 LBFGSLineSearch: 5 17:26:05 -235.042111 0.001097 LBFGSLineSearch: 6 17:26:05 -235.042111 0.000746 LBFGSLineSearch: 7 17:26:05 -235.042112 0.000817 LBFGSLineSearch: 8 17:26:05 -235.042112 0.000650 LBFGSLineSearch: 9 17:26:06 -235.042112 0.001957 LBFGSLineSearch: 10 17:26:06 -235.042112 0.000895 LBFGSLineSearch: 11 17:26:06 -235.042112 0.000131 LBFGSLineSearch: 12 17:26:06 -235.042112 0.000024 LBFGSLineSearch: 13 17:26:06 -235.042112 0.000007 Minimization converged after 13 steps. Pressure: -57.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:11 -235.456908 0.029630 LBFGSLineSearch: 1 17:26:11 -235.456981 0.006822 LBFGSLineSearch: 2 17:26:12 -235.456983 0.004142 LBFGSLineSearch: 3 17:26:12 -235.456983 0.002357 LBFGSLineSearch: 4 17:26:13 -235.456984 0.001952 LBFGSLineSearch: 5 17:26:13 -235.456984 0.001428 LBFGSLineSearch: 6 17:26:14 -235.456984 0.001127 LBFGSLineSearch: 7 17:26:14 -235.456984 0.000655 LBFGSLineSearch: 8 17:26:14 -235.456984 0.000410 LBFGSLineSearch: 9 17:26:14 -235.456984 0.000414 LBFGSLineSearch: 10 17:26:15 -235.456984 0.000462 LBFGSLineSearch: 11 17:26:15 -235.456984 0.000352 LBFGSLineSearch: 12 17:26:15 -235.456984 0.000302 LBFGSLineSearch: 13 17:26:15 -235.456984 0.000404 LBFGSLineSearch: 14 17:26:15 -235.456984 0.000194 LBFGSLineSearch: 15 17:26:16 -235.456984 0.000147 LBFGSLineSearch: 16 17:26:16 -235.456984 0.000137 LBFGSLineSearch: 17 17:26:16 -235.456984 0.000037 LBFGSLineSearch: 18 17:26:16 -235.456984 0.000001 Minimization converged after 18 steps. Pressure: -57.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:23 -235.871935 0.029639 LBFGSLineSearch: 1 17:26:23 -235.872007 0.006821 LBFGSLineSearch: 2 17:26:24 -235.872008 0.003828 LBFGSLineSearch: 3 17:26:25 -235.872008 0.001726 LBFGSLineSearch: 4 17:26:25 -235.872008 0.001296 LBFGSLineSearch: 5 17:26:25 -235.872009 0.001101 LBFGSLineSearch: 6 17:26:25 -235.872009 0.000736 LBFGSLineSearch: 7 17:26:26 -235.872009 0.000816 LBFGSLineSearch: 8 17:26:26 -235.872009 0.000651 LBFGSLineSearch: 9 17:26:26 -235.872009 0.001955 LBFGSLineSearch: 10 17:26:27 -235.872009 0.000887 LBFGSLineSearch: 11 17:26:27 -235.872009 0.000129 LBFGSLineSearch: 12 17:26:27 -235.872009 0.000024 LBFGSLineSearch: 13 17:26:28 -235.872009 0.000008 Minimization converged after 13 steps. Pressure: -58.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:33 -236.287109 0.029651 LBFGSLineSearch: 1 17:26:35 -236.287181 0.006852 LBFGSLineSearch: 2 17:26:36 -236.287182 0.003845 LBFGSLineSearch: 3 17:26:37 -236.287183 0.001731 LBFGSLineSearch: 4 17:26:38 -236.287183 0.001300 LBFGSLineSearch: 5 17:26:39 -236.287183 0.001102 LBFGSLineSearch: 6 17:26:39 -236.287183 0.000740 LBFGSLineSearch: 7 17:26:40 -236.287183 0.000817 LBFGSLineSearch: 8 17:26:40 -236.287183 0.000652 LBFGSLineSearch: 9 17:26:41 -236.287183 0.001954 LBFGSLineSearch: 10 17:26:41 -236.287183 0.000892 LBFGSLineSearch: 11 17:26:41 -236.287183 0.000129 LBFGSLineSearch: 12 17:26:42 -236.287183 0.000024 LBFGSLineSearch: 13 17:26:42 -236.287183 0.000004 Minimization converged after 13 steps. Pressure: -58.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:26:49 -236.702432 0.029663 LBFGSLineSearch: 1 17:26:50 -236.702505 0.006868 LBFGSLineSearch: 2 17:26:51 -236.702506 0.003855 LBFGSLineSearch: 3 17:26:52 -236.702506 0.001736 LBFGSLineSearch: 4 17:26:52 -236.702507 0.001302 LBFGSLineSearch: 5 17:26:53 -236.702507 0.001104 LBFGSLineSearch: 6 17:26:54 -236.702507 0.000737 LBFGSLineSearch: 7 17:26:55 -236.702507 0.000816 LBFGSLineSearch: 8 17:26:56 -236.702507 0.000653 LBFGSLineSearch: 9 17:26:57 -236.702507 0.001959 LBFGSLineSearch: 10 17:26:57 -236.702507 0.000888 LBFGSLineSearch: 11 17:26:57 -236.702507 0.000129 LBFGSLineSearch: 12 17:26:57 -236.702507 0.000024 LBFGSLineSearch: 13 17:26:58 -236.702507 0.000006 Minimization converged after 13 steps. Pressure: -59.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:05 -237.117906 0.029673 LBFGSLineSearch: 1 17:27:05 -237.117980 0.007185 LBFGSLineSearch: 2 17:27:06 -237.117982 0.004014 LBFGSLineSearch: 3 17:27:07 -237.117982 0.001876 LBFGSLineSearch: 4 17:27:07 -237.117982 0.001396 LBFGSLineSearch: 5 17:27:08 -237.117983 0.001199 LBFGSLineSearch: 6 17:27:09 -237.117983 0.000819 LBFGSLineSearch: 7 17:27:10 -237.117983 0.000877 LBFGSLineSearch: 8 17:27:10 -237.117983 0.000705 LBFGSLineSearch: 9 17:27:11 -237.117983 0.001803 LBFGSLineSearch: 10 17:27:11 -237.117983 0.000796 LBFGSLineSearch: 11 17:27:11 -237.117983 0.000514 LBFGSLineSearch: 12 17:27:12 -237.117983 0.000574 LBFGSLineSearch: 13 17:27:12 -237.117983 0.000163 LBFGSLineSearch: 14 17:27:13 -237.117983 0.000125 LBFGSLineSearch: 15 17:27:13 -237.117983 0.000081 LBFGSLineSearch: 16 17:27:14 -237.117983 0.000020 LBFGSLineSearch: 17 17:27:15 -237.117983 0.000000 Minimization converged after 17 steps. Pressure: -59.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:21 -237.533535 0.029682 LBFGSLineSearch: 1 17:27:22 -237.533610 0.006890 LBFGSLineSearch: 2 17:27:23 -237.533611 0.005437 LBFGSLineSearch: 3 17:27:24 -237.533612 0.003135 LBFGSLineSearch: 4 17:27:25 -237.533612 0.001805 LBFGSLineSearch: 5 17:27:26 -237.533612 0.001320 LBFGSLineSearch: 6 17:27:27 -237.533612 0.001030 LBFGSLineSearch: 7 17:27:28 -237.533613 0.000794 LBFGSLineSearch: 8 17:27:28 -237.533613 0.001150 LBFGSLineSearch: 9 17:27:28 -237.533613 0.001369 LBFGSLineSearch: 10 17:27:29 -237.533613 0.000914 LBFGSLineSearch: 11 17:27:29 -237.533613 0.000834 LBFGSLineSearch: 12 17:27:29 -237.533613 0.000693 LBFGSLineSearch: 13 17:27:30 -237.533613 0.000388 LBFGSLineSearch: 14 17:27:30 -237.533613 0.000169 LBFGSLineSearch: 15 17:27:31 -237.533613 0.000029 LBFGSLineSearch: 16 17:27:32 -237.533613 0.000020 LBFGSLineSearch: 17 17:27:32 -237.533613 0.000008 Minimization converged after 17 steps. Pressure: -60.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:39 -237.949320 0.029696 LBFGSLineSearch: 1 17:27:40 -237.949393 0.006932 LBFGSLineSearch: 2 17:27:41 -237.949395 0.003882 LBFGSLineSearch: 3 17:27:42 -237.949395 0.001748 LBFGSLineSearch: 4 17:27:43 -237.949395 0.001307 LBFGSLineSearch: 5 17:27:43 -237.949395 0.001109 LBFGSLineSearch: 6 17:27:44 -237.949395 0.000726 LBFGSLineSearch: 7 17:27:45 -237.949395 0.000813 LBFGSLineSearch: 8 17:27:46 -237.949395 0.000653 LBFGSLineSearch: 9 17:27:47 -237.949395 0.001952 LBFGSLineSearch: 10 17:27:48 -237.949396 0.000864 LBFGSLineSearch: 11 17:27:49 -237.949396 0.000128 LBFGSLineSearch: 12 17:27:50 -237.949396 0.000024 LBFGSLineSearch: 13 17:27:50 -237.949396 0.000011 LBFGSLineSearch: 14 17:27:50 -237.949396 0.000007 Minimization converged after 14 steps. Pressure: -60.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:27:58 -238.365254 0.029707 LBFGSLineSearch: 1 17:27:59 -238.365327 0.006905 LBFGSLineSearch: 2 17:27:59 -238.365329 0.003891 LBFGSLineSearch: 3 17:27:59 -238.365329 0.001753 LBFGSLineSearch: 4 17:28:01 -238.365329 0.001307 LBFGSLineSearch: 5 17:28:01 -238.365329 0.001111 LBFGSLineSearch: 6 17:28:02 -238.365329 0.000720 LBFGSLineSearch: 7 17:28:03 -238.365329 0.000812 LBFGSLineSearch: 8 17:28:04 -238.365329 0.000652 LBFGSLineSearch: 9 17:28:05 -238.365330 0.001952 LBFGSLineSearch: 10 17:28:06 -238.365330 0.000869 LBFGSLineSearch: 11 17:28:06 -238.365330 0.000126 LBFGSLineSearch: 12 17:28:07 -238.365330 0.000024 LBFGSLineSearch: 13 17:28:07 -238.365330 0.000007 Minimization converged after 13 steps. Pressure: -61.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:13 -238.781340 0.029719 LBFGSLineSearch: 1 17:28:14 -238.781414 0.006947 LBFGSLineSearch: 2 17:28:15 -238.781415 0.003911 LBFGSLineSearch: 3 17:28:16 -238.781415 0.001759 LBFGSLineSearch: 4 17:28:17 -238.781416 0.001312 LBFGSLineSearch: 5 17:28:19 -238.781416 0.001112 LBFGSLineSearch: 6 17:28:20 -238.781416 0.000726 LBFGSLineSearch: 7 17:28:21 -238.781416 0.000814 LBFGSLineSearch: 8 17:28:22 -238.781416 0.000655 LBFGSLineSearch: 9 17:28:22 -238.781416 0.001950 LBFGSLineSearch: 10 17:28:23 -238.781416 0.000878 LBFGSLineSearch: 11 17:28:23 -238.781416 0.000127 LBFGSLineSearch: 12 17:28:23 -238.781416 0.000024 LBFGSLineSearch: 13 17:28:24 -238.781416 0.000008 Minimization converged after 13 steps. Pressure: -61.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:31 -239.197579 0.029731 LBFGSLineSearch: 1 17:28:31 -239.197653 0.006963 LBFGSLineSearch: 2 17:28:32 -239.197655 0.003923 LBFGSLineSearch: 3 17:28:33 -239.197655 0.001764 LBFGSLineSearch: 4 17:28:33 -239.197655 0.001314 LBFGSLineSearch: 5 17:28:34 -239.197655 0.001114 LBFGSLineSearch: 6 17:28:35 -239.197655 0.000724 LBFGSLineSearch: 7 17:28:35 -239.197655 0.000813 LBFGSLineSearch: 8 17:28:36 -239.197655 0.000656 LBFGSLineSearch: 9 17:28:36 -239.197655 0.001950 LBFGSLineSearch: 10 17:28:36 -239.197656 0.000875 LBFGSLineSearch: 11 17:28:36 -239.197656 0.000126 LBFGSLineSearch: 12 17:28:36 -239.197656 0.000023 LBFGSLineSearch: 13 17:28:37 -239.197656 0.000008 Minimization converged after 13 steps. Pressure: -62.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:28:42 -239.613972 0.029741 LBFGSLineSearch: 1 17:28:43 -239.614046 0.006979 LBFGSLineSearch: 2 17:28:45 -239.614047 0.003934 LBFGSLineSearch: 3 17:28:47 -239.614048 0.001769 LBFGSLineSearch: 4 17:28:48 -239.614048 0.001316 LBFGSLineSearch: 5 17:28:49 -239.614048 0.001116 LBFGSLineSearch: 6 17:28:50 -239.614048 0.000722 LBFGSLineSearch: 7 17:28:50 -239.614048 0.000813 LBFGSLineSearch: 8 17:28:51 -239.614048 0.000657 LBFGSLineSearch: 9 17:28:52 -239.614048 0.001948 LBFGSLineSearch: 10 17:28:53 -239.614049 0.000873 LBFGSLineSearch: 11 17:28:54 -239.614049 0.000126 LBFGSLineSearch: 12 17:28:55 -239.614049 0.000023 LBFGSLineSearch: 13 17:28:56 -239.614049 0.000009 Minimization converged after 13 steps. Pressure: -62.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:03 -240.030518 0.029753 LBFGSLineSearch: 1 17:29:04 -240.030594 0.006996 LBFGSLineSearch: 2 17:29:05 -240.030596 0.004146 LBFGSLineSearch: 3 17:29:06 -240.030596 0.002015 LBFGSLineSearch: 4 17:29:06 -240.030597 0.002162 LBFGSLineSearch: 5 17:29:06 -240.030597 0.001678 LBFGSLineSearch: 6 17:29:06 -240.030597 0.001374 LBFGSLineSearch: 7 17:29:06 -240.030598 0.003302 LBFGSLineSearch: 8 17:29:07 -240.030598 0.001686 LBFGSLineSearch: 9 17:29:07 -240.030599 0.001103 LBFGSLineSearch: 10 17:29:08 -240.030599 0.001409 LBFGSLineSearch: 11 17:29:09 -240.030599 0.000725 LBFGSLineSearch: 12 17:29:09 -240.030599 0.000603 LBFGSLineSearch: 13 17:29:10 -240.030599 0.000275 LBFGSLineSearch: 14 17:29:10 -240.030599 0.000107 LBFGSLineSearch: 15 17:29:10 -240.030599 0.000083 LBFGSLineSearch: 16 17:29:11 -240.030599 0.000046 LBFGSLineSearch: 17 17:29:12 -240.030599 0.000001 Minimization converged after 17 steps. Pressure: -63.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:19 -240.447228 0.029759 LBFGSLineSearch: 1 17:29:19 -240.447303 0.007001 LBFGSLineSearch: 2 17:29:20 -240.447304 0.003951 LBFGSLineSearch: 3 17:29:20 -240.447305 0.001776 LBFGSLineSearch: 4 17:29:20 -240.447305 0.001319 LBFGSLineSearch: 5 17:29:21 -240.447305 0.001120 LBFGSLineSearch: 6 17:29:21 -240.447305 0.000711 LBFGSLineSearch: 7 17:29:23 -240.447305 0.000810 LBFGSLineSearch: 8 17:29:25 -240.447305 0.000657 LBFGSLineSearch: 9 17:29:29 -240.447305 0.001950 LBFGSLineSearch: 10 17:29:31 -240.447305 0.000859 LBFGSLineSearch: 11 17:29:32 -240.447305 0.000125 LBFGSLineSearch: 12 17:29:33 -240.447305 0.000024 LBFGSLineSearch: 13 17:29:33 -240.447305 0.000013 LBFGSLineSearch: 14 17:29:33 -240.447305 0.000008 Minimization converged after 14 steps. Pressure: -63.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:41 -240.864089 0.029775 LBFGSLineSearch: 1 17:29:42 -240.864164 0.006999 LBFGSLineSearch: 2 17:29:44 -240.864166 0.003955 LBFGSLineSearch: 3 17:29:44 -240.864166 0.001781 LBFGSLineSearch: 4 17:29:45 -240.864166 0.001319 LBFGSLineSearch: 5 17:29:45 -240.864166 0.001121 LBFGSLineSearch: 6 17:29:46 -240.864166 0.000704 LBFGSLineSearch: 7 17:29:46 -240.864166 0.000808 LBFGSLineSearch: 8 17:29:46 -240.864166 0.000655 LBFGSLineSearch: 9 17:29:46 -240.864167 0.001944 LBFGSLineSearch: 10 17:29:46 -240.864167 0.000846 LBFGSLineSearch: 11 17:29:47 -240.864167 0.000124 LBFGSLineSearch: 12 17:29:47 -240.864167 0.000023 LBFGSLineSearch: 13 17:29:47 -240.864167 0.000009 Minimization converged after 13 steps. Pressure: -64.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:29:54 -241.281106 0.029787 LBFGSLineSearch: 1 17:29:55 -241.281181 0.007045 LBFGSLineSearch: 2 17:29:56 -241.281183 0.003980 LBFGSLineSearch: 3 17:29:56 -241.281183 0.001788 LBFGSLineSearch: 4 17:29:57 -241.281183 0.001325 LBFGSLineSearch: 5 17:29:57 -241.281183 0.001123 LBFGSLineSearch: 6 17:29:58 -241.281183 0.000713 LBFGSLineSearch: 7 17:30:00 -241.281184 0.000811 LBFGSLineSearch: 8 17:30:02 -241.281184 0.000659 LBFGSLineSearch: 9 17:30:03 -241.281184 0.001942 LBFGSLineSearch: 10 17:30:03 -241.281184 0.000861 LBFGSLineSearch: 11 17:30:04 -241.281184 0.000124 LBFGSLineSearch: 12 17:30:06 -241.281184 0.000023 LBFGSLineSearch: 13 17:30:07 -241.281184 0.000010 Minimization converged after 13 steps. Pressure: -64.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:13 -241.698279 0.029800 LBFGSLineSearch: 1 17:30:14 -241.698355 0.007061 LBFGSLineSearch: 2 17:30:14 -241.698356 0.003992 LBFGSLineSearch: 3 17:30:15 -241.698357 0.001793 LBFGSLineSearch: 4 17:30:15 -241.698357 0.001327 LBFGSLineSearch: 5 17:30:15 -241.698357 0.001125 LBFGSLineSearch: 6 17:30:15 -241.698357 0.000711 LBFGSLineSearch: 7 17:30:15 -241.698357 0.000810 LBFGSLineSearch: 8 17:30:15 -241.698357 0.000660 LBFGSLineSearch: 9 17:30:16 -241.698357 0.001943 LBFGSLineSearch: 10 17:30:16 -241.698357 0.000859 LBFGSLineSearch: 11 17:30:16 -241.698357 0.000123 LBFGSLineSearch: 12 17:30:16 -241.698357 0.000023 LBFGSLineSearch: 13 17:30:16 -241.698357 0.000010 Minimization converged after 13 steps. Pressure: -65.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:22 -242.115609 0.029810 LBFGSLineSearch: 1 17:30:23 -242.115685 0.007078 LBFGSLineSearch: 2 17:30:23 -242.115687 0.004004 LBFGSLineSearch: 3 17:30:24 -242.115687 0.001798 LBFGSLineSearch: 4 17:30:25 -242.115687 0.001329 LBFGSLineSearch: 5 17:30:26 -242.115687 0.001127 LBFGSLineSearch: 6 17:30:26 -242.115687 0.000710 LBFGSLineSearch: 7 17:30:27 -242.115687 0.000810 LBFGSLineSearch: 8 17:30:28 -242.115687 0.000660 LBFGSLineSearch: 9 17:30:29 -242.115688 0.001939 LBFGSLineSearch: 10 17:30:29 -242.115688 0.000855 LBFGSLineSearch: 11 17:30:29 -242.115688 0.000123 LBFGSLineSearch: 12 17:30:30 -242.115688 0.000023 LBFGSLineSearch: 13 17:30:30 -242.115688 0.000011 LBFGSLineSearch: 14 17:30:30 -242.115688 0.000007 Minimization converged after 14 steps. Pressure: -65.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:36 -242.533097 0.029819 LBFGSLineSearch: 1 17:30:37 -242.533173 0.007075 LBFGSLineSearch: 2 17:30:38 -242.533175 0.004005 LBFGSLineSearch: 3 17:30:40 -242.533175 0.001801 LBFGSLineSearch: 4 17:30:41 -242.533175 0.001329 LBFGSLineSearch: 5 17:30:42 -242.533175 0.001129 LBFGSLineSearch: 6 17:30:42 -242.533175 0.000712 LBFGSLineSearch: 7 17:30:44 -242.533175 0.000807 LBFGSLineSearch: 8 17:30:44 -242.533175 0.000658 LBFGSLineSearch: 9 17:30:45 -242.533175 0.001939 LBFGSLineSearch: 10 17:30:46 -242.533176 0.000834 LBFGSLineSearch: 11 17:30:47 -242.533176 0.000122 LBFGSLineSearch: 12 17:30:48 -242.533176 0.000023 LBFGSLineSearch: 13 17:30:49 -242.533176 0.000013 LBFGSLineSearch: 14 17:30:50 -242.533176 0.000008 Minimization converged after 14 steps. Pressure: -66.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:30:56 -242.950742 0.029831 LBFGSLineSearch: 1 17:30:58 -242.950819 0.007088 LBFGSLineSearch: 2 17:30:58 -242.950820 0.004014 LBFGSLineSearch: 3 17:30:59 -242.950821 0.001806 LBFGSLineSearch: 4 17:30:59 -242.950821 0.001330 LBFGSLineSearch: 5 17:31:00 -242.950821 0.001131 LBFGSLineSearch: 6 17:31:02 -242.950821 0.000714 LBFGSLineSearch: 7 17:31:04 -242.950821 0.000806 LBFGSLineSearch: 8 17:31:06 -242.950821 0.000659 LBFGSLineSearch: 9 17:31:08 -242.950821 0.001935 LBFGSLineSearch: 10 17:31:08 -242.950821 0.000827 LBFGSLineSearch: 11 17:31:08 -242.950821 0.000122 LBFGSLineSearch: 12 17:31:09 -242.950821 0.000023 LBFGSLineSearch: 13 17:31:09 -242.950821 0.000014 LBFGSLineSearch: 14 17:31:09 -242.950821 0.000009 Minimization converged after 14 steps. Pressure: -66.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:17 -243.368546 0.029843 LBFGSLineSearch: 1 17:31:20 -243.368623 0.007104 LBFGSLineSearch: 2 17:31:23 -243.368625 0.004026 LBFGSLineSearch: 3 17:31:24 -243.368625 0.001811 LBFGSLineSearch: 4 17:31:26 -243.368625 0.001332 LBFGSLineSearch: 5 17:31:28 -243.368625 0.001133 LBFGSLineSearch: 6 17:31:31 -243.368625 0.000716 LBFGSLineSearch: 7 17:31:35 -243.368625 0.000805 LBFGSLineSearch: 8 17:31:39 -243.368626 0.000659 LBFGSLineSearch: 9 17:31:42 -243.368626 0.001936 LBFGSLineSearch: 10 17:31:44 -243.368626 0.000823 LBFGSLineSearch: 11 17:31:46 -243.368626 0.000121 LBFGSLineSearch: 12 17:31:48 -243.368626 0.000024 LBFGSLineSearch: 13 17:31:50 -243.368626 0.000015 LBFGSLineSearch: 14 17:31:51 -243.368626 0.000010 LBFGSLineSearch: 15 17:31:53 -243.368626 0.000002 Minimization converged after 15 steps. Pressure: -67.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:31:59 -243.786510 0.029850 LBFGSLineSearch: 1 17:32:01 -243.786587 0.007149 LBFGSLineSearch: 2 17:32:03 -243.786588 0.004049 LBFGSLineSearch: 3 17:32:06 -243.786589 0.001819 LBFGSLineSearch: 4 17:32:09 -243.786589 0.001338 LBFGSLineSearch: 5 17:32:10 -243.786589 0.001135 LBFGSLineSearch: 6 17:32:10 -243.786589 0.000719 LBFGSLineSearch: 7 17:32:11 -243.786589 0.000807 LBFGSLineSearch: 8 17:32:13 -243.786589 0.000663 LBFGSLineSearch: 9 17:32:14 -243.786589 0.001930 LBFGSLineSearch: 10 17:32:14 -243.786589 0.000830 LBFGSLineSearch: 11 17:32:14 -243.786590 0.000121 LBFGSLineSearch: 12 17:32:15 -243.786590 0.000024 LBFGSLineSearch: 13 17:32:15 -243.786590 0.000021 LBFGSLineSearch: 14 17:32:15 -243.786590 0.000014 LBFGSLineSearch: 15 17:32:15 -243.786590 0.000003 Minimization converged after 15 steps. Pressure: -67.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:21 -244.204633 0.029862 LBFGSLineSearch: 1 17:32:21 -244.204710 0.007167 LBFGSLineSearch: 2 17:32:22 -244.204712 0.004062 LBFGSLineSearch: 3 17:32:23 -244.204712 0.001824 LBFGSLineSearch: 4 17:32:24 -244.204712 0.001340 LBFGSLineSearch: 5 17:32:25 -244.204712 0.001137 LBFGSLineSearch: 6 17:32:26 -244.204712 0.000721 LBFGSLineSearch: 7 17:32:27 -244.204713 0.000807 LBFGSLineSearch: 8 17:32:28 -244.204713 0.000663 LBFGSLineSearch: 9 17:32:28 -244.204713 0.001931 LBFGSLineSearch: 10 17:32:29 -244.204713 0.000827 LBFGSLineSearch: 11 17:32:30 -244.204713 0.000121 LBFGSLineSearch: 12 17:32:30 -244.204713 0.000025 LBFGSLineSearch: 13 17:32:31 -244.204713 0.000021 LBFGSLineSearch: 14 17:32:31 -244.204713 0.000015 LBFGSLineSearch: 15 17:32:32 -244.204713 0.000004 Minimization converged after 15 steps. Pressure: -68.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:38 -244.622917 0.029874 LBFGSLineSearch: 1 17:32:39 -244.622994 0.007185 LBFGSLineSearch: 2 17:32:39 -244.622996 0.004074 LBFGSLineSearch: 3 17:32:39 -244.622996 0.001829 LBFGSLineSearch: 4 17:32:39 -244.622996 0.001342 LBFGSLineSearch: 5 17:32:39 -244.622996 0.001139 LBFGSLineSearch: 6 17:32:39 -244.622996 0.000723 LBFGSLineSearch: 7 17:32:40 -244.622996 0.000806 LBFGSLineSearch: 8 17:32:40 -244.622996 0.000664 LBFGSLineSearch: 9 17:32:40 -244.622997 0.001925 LBFGSLineSearch: 10 17:32:41 -244.622997 0.000822 LBFGSLineSearch: 11 17:32:41 -244.622997 0.000120 LBFGSLineSearch: 12 17:32:41 -244.622997 0.000025 LBFGSLineSearch: 13 17:32:41 -244.622997 0.000022 LBFGSLineSearch: 14 17:32:42 -244.622997 0.000015 LBFGSLineSearch: 15 17:32:42 -244.622997 0.000004 Minimization converged after 15 steps. Pressure: -68.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:32:49 -245.041361 0.029885 LBFGSLineSearch: 1 17:32:49 -245.041439 0.007203 LBFGSLineSearch: 2 17:32:50 -245.041441 0.004087 LBFGSLineSearch: 3 17:32:51 -245.041441 0.001835 LBFGSLineSearch: 4 17:32:52 -245.041441 0.001345 LBFGSLineSearch: 5 17:32:53 -245.041441 0.001142 LBFGSLineSearch: 6 17:32:53 -245.041441 0.000725 LBFGSLineSearch: 7 17:32:54 -245.041441 0.000806 LBFGSLineSearch: 8 17:32:55 -245.041441 0.000665 LBFGSLineSearch: 9 17:32:56 -245.041441 0.001914 LBFGSLineSearch: 10 17:32:56 -245.041442 0.000819 LBFGSLineSearch: 11 17:32:57 -245.041442 0.000120 LBFGSLineSearch: 12 17:32:57 -245.041442 0.000026 LBFGSLineSearch: 13 17:32:58 -245.041442 0.000023 LBFGSLineSearch: 14 17:32:59 -245.041442 0.000016 LBFGSLineSearch: 15 17:33:00 -245.041442 0.000004 Minimization converged after 15 steps. Pressure: -69.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:06 -245.459967 0.029897 LBFGSLineSearch: 1 17:33:07 -245.460045 0.007221 LBFGSLineSearch: 2 17:33:08 -245.460047 0.004100 LBFGSLineSearch: 3 17:33:08 -245.460047 0.001840 LBFGSLineSearch: 4 17:33:08 -245.460047 0.001347 LBFGSLineSearch: 5 17:33:08 -245.460048 0.001144 LBFGSLineSearch: 6 17:33:08 -245.460048 0.000728 LBFGSLineSearch: 7 17:33:09 -245.460048 0.000805 LBFGSLineSearch: 8 17:33:09 -245.460048 0.000666 LBFGSLineSearch: 9 17:33:09 -245.460048 0.001899 LBFGSLineSearch: 10 17:33:09 -245.460048 0.000814 LBFGSLineSearch: 11 17:33:09 -245.460048 0.000119 LBFGSLineSearch: 12 17:33:10 -245.460048 0.000028 LBFGSLineSearch: 13 17:33:10 -245.460048 0.000024 LBFGSLineSearch: 14 17:33:10 -245.460048 0.000016 LBFGSLineSearch: 15 17:33:10 -245.460048 0.000004 Minimization converged after 15 steps. Pressure: -69.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:16 -245.878736 0.029908 LBFGSLineSearch: 1 17:33:16 -245.878814 0.007240 LBFGSLineSearch: 2 17:33:16 -245.878816 0.004113 LBFGSLineSearch: 3 17:33:17 -245.878816 0.001846 LBFGSLineSearch: 4 17:33:19 -245.878816 0.001350 LBFGSLineSearch: 5 17:33:19 -245.878816 0.001146 LBFGSLineSearch: 6 17:33:20 -245.878816 0.000730 LBFGSLineSearch: 7 17:33:20 -245.878816 0.000805 LBFGSLineSearch: 8 17:33:20 -245.878816 0.000667 LBFGSLineSearch: 9 17:33:20 -245.878817 0.001884 LBFGSLineSearch: 10 17:33:21 -245.878817 0.000811 LBFGSLineSearch: 11 17:33:21 -245.878817 0.000119 LBFGSLineSearch: 12 17:33:21 -245.878817 0.000029 LBFGSLineSearch: 13 17:33:22 -245.878817 0.000025 LBFGSLineSearch: 14 17:33:23 -245.878817 0.000016 LBFGSLineSearch: 15 17:33:23 -245.878817 0.000004 Minimization converged after 15 steps. Pressure: -70.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:29 -246.297667 0.029920 LBFGSLineSearch: 1 17:33:29 -246.297745 0.007258 LBFGSLineSearch: 2 17:33:30 -246.297747 0.004126 LBFGSLineSearch: 3 17:33:30 -246.297748 0.001851 LBFGSLineSearch: 4 17:33:30 -246.297748 0.001352 LBFGSLineSearch: 5 17:33:31 -246.297748 0.001148 LBFGSLineSearch: 6 17:33:31 -246.297748 0.000732 LBFGSLineSearch: 7 17:33:31 -246.297748 0.000805 LBFGSLineSearch: 8 17:33:31 -246.297748 0.000668 LBFGSLineSearch: 9 17:33:31 -246.297748 0.001869 LBFGSLineSearch: 10 17:33:31 -246.297748 0.000806 LBFGSLineSearch: 11 17:33:31 -246.297748 0.000119 LBFGSLineSearch: 12 17:33:32 -246.297748 0.000030 LBFGSLineSearch: 13 17:33:32 -246.297748 0.000026 LBFGSLineSearch: 14 17:33:32 -246.297748 0.000016 LBFGSLineSearch: 15 17:33:32 -246.297748 0.000004 Minimization converged after 15 steps. Pressure: -70.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:38 -246.716762 0.029932 LBFGSLineSearch: 1 17:33:39 -246.716840 0.007277 LBFGSLineSearch: 2 17:33:40 -246.716842 0.004139 LBFGSLineSearch: 3 17:33:41 -246.716843 0.001857 LBFGSLineSearch: 4 17:33:41 -246.716843 0.001355 LBFGSLineSearch: 5 17:33:41 -246.716843 0.001150 LBFGSLineSearch: 6 17:33:42 -246.716843 0.000734 LBFGSLineSearch: 7 17:33:42 -246.716843 0.000804 LBFGSLineSearch: 8 17:33:42 -246.716843 0.000669 LBFGSLineSearch: 9 17:33:43 -246.716843 0.001854 LBFGSLineSearch: 10 17:33:43 -246.716843 0.000802 LBFGSLineSearch: 11 17:33:43 -246.716843 0.000118 LBFGSLineSearch: 12 17:33:44 -246.716843 0.000032 LBFGSLineSearch: 13 17:33:45 -246.716843 0.000027 LBFGSLineSearch: 14 17:33:46 -246.716843 0.000016 LBFGSLineSearch: 15 17:33:46 -246.716843 0.000005 Minimization converged after 15 steps. Pressure: -71.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:33:53 -247.136020 0.029943 LBFGSLineSearch: 1 17:33:54 -247.136100 0.007296 LBFGSLineSearch: 2 17:33:56 -247.136101 0.004152 LBFGSLineSearch: 3 17:33:58 -247.136102 0.001862 LBFGSLineSearch: 4 17:34:00 -247.136102 0.001357 LBFGSLineSearch: 5 17:34:00 -247.136102 0.001152 LBFGSLineSearch: 6 17:34:01 -247.136102 0.000736 LBFGSLineSearch: 7 17:34:02 -247.136102 0.000804 LBFGSLineSearch: 8 17:34:02 -247.136102 0.000670 LBFGSLineSearch: 9 17:34:02 -247.136102 0.001839 LBFGSLineSearch: 10 17:34:02 -247.136103 0.000798 LBFGSLineSearch: 11 17:34:03 -247.136103 0.000118 LBFGSLineSearch: 12 17:34:04 -247.136103 0.000033 LBFGSLineSearch: 13 17:34:04 -247.136103 0.000028 LBFGSLineSearch: 14 17:34:05 -247.136103 0.000016 LBFGSLineSearch: 15 17:34:08 -247.136103 0.000005 Minimization converged after 15 steps. Pressure: -71.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:14 -247.555444 0.029955 LBFGSLineSearch: 1 17:34:15 -247.555523 0.007315 LBFGSLineSearch: 2 17:34:16 -247.555525 0.004166 LBFGSLineSearch: 3 17:34:17 -247.555526 0.001868 LBFGSLineSearch: 4 17:34:17 -247.555526 0.001360 LBFGSLineSearch: 5 17:34:17 -247.555526 0.001155 LBFGSLineSearch: 6 17:34:19 -247.555526 0.000739 LBFGSLineSearch: 7 17:34:19 -247.555526 0.000803 LBFGSLineSearch: 8 17:34:20 -247.555526 0.000671 LBFGSLineSearch: 9 17:34:21 -247.555526 0.001824 LBFGSLineSearch: 10 17:34:21 -247.555526 0.000793 LBFGSLineSearch: 11 17:34:22 -247.555527 0.000117 LBFGSLineSearch: 12 17:34:22 -247.555527 0.000034 LBFGSLineSearch: 13 17:34:23 -247.555527 0.000029 LBFGSLineSearch: 14 17:34:24 -247.555527 0.000015 LBFGSLineSearch: 15 17:34:24 -247.555527 0.000005 Minimization converged after 15 steps. Pressure: -72.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:31 -247.975033 0.029967 LBFGSLineSearch: 1 17:34:32 -247.975113 0.007334 LBFGSLineSearch: 2 17:34:32 -247.975115 0.004179 LBFGSLineSearch: 3 17:34:32 -247.975115 0.001874 LBFGSLineSearch: 4 17:34:32 -247.975115 0.001363 LBFGSLineSearch: 5 17:34:32 -247.975115 0.001157 LBFGSLineSearch: 6 17:34:33 -247.975115 0.000741 LBFGSLineSearch: 7 17:34:33 -247.975115 0.000803 LBFGSLineSearch: 8 17:34:35 -247.975115 0.000672 LBFGSLineSearch: 9 17:34:35 -247.975116 0.001809 LBFGSLineSearch: 10 17:34:36 -247.975116 0.000788 LBFGSLineSearch: 11 17:34:36 -247.975116 0.000117 LBFGSLineSearch: 12 17:34:36 -247.975116 0.000036 LBFGSLineSearch: 13 17:34:36 -247.975116 0.000030 LBFGSLineSearch: 14 17:34:36 -247.975116 0.000015 LBFGSLineSearch: 15 17:34:36 -247.975116 0.000005 Minimization converged after 15 steps. Pressure: -72.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:34:43 -248.394788 0.029979 LBFGSLineSearch: 1 17:34:46 -248.394868 0.007354 LBFGSLineSearch: 2 17:34:48 -248.394870 0.004193 LBFGSLineSearch: 3 17:34:49 -248.394870 0.001879 LBFGSLineSearch: 4 17:34:53 -248.394870 0.001365 LBFGSLineSearch: 5 17:34:54 -248.394871 0.001159 LBFGSLineSearch: 6 17:34:56 -248.394871 0.000743 LBFGSLineSearch: 7 17:34:57 -248.394871 0.000803 LBFGSLineSearch: 8 17:34:59 -248.394871 0.000673 LBFGSLineSearch: 9 17:35:02 -248.394871 0.001794 LBFGSLineSearch: 10 17:35:03 -248.394871 0.000784 LBFGSLineSearch: 11 17:35:04 -248.394871 0.000116 LBFGSLineSearch: 12 17:35:05 -248.394871 0.000037 LBFGSLineSearch: 13 17:35:06 -248.394871 0.000031 LBFGSLineSearch: 14 17:35:06 -248.394871 0.000014 LBFGSLineSearch: 15 17:35:06 -248.394871 0.000005 Minimization converged after 15 steps. Pressure: -73.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:12 -248.814710 0.029991 LBFGSLineSearch: 1 17:35:13 -248.814790 0.007373 LBFGSLineSearch: 2 17:35:14 -248.814792 0.004206 LBFGSLineSearch: 3 17:35:14 -248.814792 0.001885 LBFGSLineSearch: 4 17:35:14 -248.814792 0.001368 LBFGSLineSearch: 5 17:35:15 -248.814793 0.001161 LBFGSLineSearch: 6 17:35:15 -248.814793 0.000746 LBFGSLineSearch: 7 17:35:17 -248.814793 0.000802 LBFGSLineSearch: 8 17:35:18 -248.814793 0.000674 LBFGSLineSearch: 9 17:35:19 -248.814793 0.001778 LBFGSLineSearch: 10 17:35:20 -248.814793 0.000778 LBFGSLineSearch: 11 17:35:20 -248.814793 0.000116 LBFGSLineSearch: 12 17:35:21 -248.814793 0.000038 LBFGSLineSearch: 13 17:35:21 -248.814793 0.000032 LBFGSLineSearch: 14 17:35:22 -248.814793 0.000013 LBFGSLineSearch: 15 17:35:22 -248.814793 0.000005 Minimization converged after 15 steps. Pressure: -73.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:27 -249.234799 0.030003 LBFGSLineSearch: 1 17:35:28 -249.234879 0.007393 LBFGSLineSearch: 2 17:35:28 -249.234881 0.004220 LBFGSLineSearch: 3 17:35:29 -249.234882 0.001891 LBFGSLineSearch: 4 17:35:30 -249.234882 0.001371 LBFGSLineSearch: 5 17:35:31 -249.234882 0.001164 LBFGSLineSearch: 6 17:35:31 -249.234882 0.000748 LBFGSLineSearch: 7 17:35:32 -249.234882 0.000802 LBFGSLineSearch: 8 17:35:33 -249.234882 0.000675 LBFGSLineSearch: 9 17:35:35 -249.234882 0.001763 LBFGSLineSearch: 10 17:35:35 -249.234883 0.000773 LBFGSLineSearch: 11 17:35:35 -249.234883 0.000115 LBFGSLineSearch: 12 17:35:37 -249.234883 0.000040 LBFGSLineSearch: 13 17:35:38 -249.234883 0.000033 LBFGSLineSearch: 14 17:35:38 -249.234883 0.000012 LBFGSLineSearch: 15 17:35:39 -249.234883 0.000005 Minimization converged after 15 steps. Pressure: -74.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:35:45 -249.655056 0.030015 LBFGSLineSearch: 1 17:35:47 -249.655137 0.007413 LBFGSLineSearch: 2 17:35:49 -249.655139 0.004234 LBFGSLineSearch: 3 17:35:50 -249.655139 0.001897 LBFGSLineSearch: 4 17:35:52 -249.655139 0.001373 LBFGSLineSearch: 5 17:35:53 -249.655139 0.001166 LBFGSLineSearch: 6 17:35:53 -249.655139 0.000750 LBFGSLineSearch: 7 17:35:54 -249.655140 0.000801 LBFGSLineSearch: 8 17:35:55 -249.655140 0.000676 LBFGSLineSearch: 9 17:35:56 -249.655140 0.001749 LBFGSLineSearch: 10 17:35:56 -249.655140 0.000769 LBFGSLineSearch: 11 17:35:56 -249.655140 0.000115 LBFGSLineSearch: 12 17:35:57 -249.655140 0.000041 LBFGSLineSearch: 13 17:35:58 -249.655140 0.000034 LBFGSLineSearch: 14 17:35:58 -249.655140 0.000011 LBFGSLineSearch: 15 17:35:59 -249.655140 0.000006 Minimization converged after 15 steps. Pressure: -74.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:04 -250.075482 0.030027 LBFGSLineSearch: 1 17:36:05 -250.075563 0.007432 LBFGSLineSearch: 2 17:36:05 -250.075565 0.004248 LBFGSLineSearch: 3 17:36:06 -250.075565 0.001903 LBFGSLineSearch: 4 17:36:07 -250.075565 0.001376 LBFGSLineSearch: 5 17:36:07 -250.075565 0.001168 LBFGSLineSearch: 6 17:36:08 -250.075565 0.000753 LBFGSLineSearch: 7 17:36:08 -250.075566 0.000801 LBFGSLineSearch: 8 17:36:09 -250.075566 0.000676 LBFGSLineSearch: 9 17:36:09 -250.075566 0.001733 LBFGSLineSearch: 10 17:36:10 -250.075566 0.000763 LBFGSLineSearch: 11 17:36:10 -250.075566 0.000114 LBFGSLineSearch: 12 17:36:10 -250.075566 0.000042 LBFGSLineSearch: 13 17:36:10 -250.075566 0.000035 LBFGSLineSearch: 14 17:36:11 -250.075566 0.000010 LBFGSLineSearch: 15 17:36:12 -250.075566 0.000006 Minimization converged after 15 steps. Pressure: -75.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:18 -250.496077 0.030039 LBFGSLineSearch: 1 17:36:18 -250.496158 0.007453 LBFGSLineSearch: 2 17:36:19 -250.496160 0.006113 LBFGSLineSearch: 3 17:36:20 -250.496161 0.003109 LBFGSLineSearch: 4 17:36:22 -250.496161 0.001380 LBFGSLineSearch: 5 17:36:22 -250.496161 0.001137 LBFGSLineSearch: 6 17:36:22 -250.496161 0.000835 LBFGSLineSearch: 7 17:36:23 -250.496161 0.000694 LBFGSLineSearch: 8 17:36:23 -250.496161 0.000953 LBFGSLineSearch: 9 17:36:23 -250.496161 0.000936 LBFGSLineSearch: 10 17:36:24 -250.496161 0.001051 LBFGSLineSearch: 11 17:36:24 -250.496162 0.000214 LBFGSLineSearch: 12 17:36:25 -250.496162 0.000045 LBFGSLineSearch: 13 17:36:25 -250.496162 0.000036 LBFGSLineSearch: 14 17:36:25 -250.496162 0.000031 LBFGSLineSearch: 15 17:36:26 -250.496162 0.000006 Minimization converged after 15 steps. Pressure: -75.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:32 -250.916842 0.030051 LBFGSLineSearch: 1 17:36:33 -250.916924 0.007471 LBFGSLineSearch: 2 17:36:33 -250.916925 0.006098 LBFGSLineSearch: 3 17:36:34 -250.916926 0.003101 LBFGSLineSearch: 4 17:36:35 -250.916926 0.001381 LBFGSLineSearch: 5 17:36:35 -250.916926 0.001141 LBFGSLineSearch: 6 17:36:35 -250.916926 0.000837 LBFGSLineSearch: 7 17:36:35 -250.916926 0.000696 LBFGSLineSearch: 8 17:36:36 -250.916927 0.000954 LBFGSLineSearch: 9 17:36:36 -250.916927 0.000935 LBFGSLineSearch: 10 17:36:37 -250.916927 0.001058 LBFGSLineSearch: 11 17:36:37 -250.916927 0.000208 LBFGSLineSearch: 12 17:36:38 -250.916927 0.000046 LBFGSLineSearch: 13 17:36:38 -250.916927 0.000037 LBFGSLineSearch: 14 17:36:39 -250.916927 0.000032 LBFGSLineSearch: 15 17:36:40 -250.916927 0.000006 Minimization converged after 15 steps. Pressure: -76.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:36:47 -251.337778 0.030063 LBFGSLineSearch: 1 17:36:48 -251.337862 0.008225 LBFGSLineSearch: 2 17:36:49 -251.337864 0.005593 LBFGSLineSearch: 3 17:36:49 -251.337864 0.002845 LBFGSLineSearch: 4 17:36:50 -251.337865 0.001863 LBFGSLineSearch: 5 17:36:50 -251.337865 0.001375 LBFGSLineSearch: 6 17:36:51 -251.337865 0.000979 LBFGSLineSearch: 7 17:36:52 -251.337865 0.000734 LBFGSLineSearch: 8 17:36:53 -251.337865 0.001114 LBFGSLineSearch: 9 17:36:54 -251.337865 0.001237 LBFGSLineSearch: 10 17:36:55 -251.337866 0.000974 LBFGSLineSearch: 11 17:36:56 -251.337866 0.000675 LBFGSLineSearch: 12 17:36:56 -251.337866 0.000669 LBFGSLineSearch: 13 17:36:57 -251.337866 0.000285 LBFGSLineSearch: 14 17:36:58 -251.337866 0.000113 LBFGSLineSearch: 15 17:36:59 -251.337866 0.000088 LBFGSLineSearch: 16 17:37:00 -251.337866 0.000066 LBFGSLineSearch: 17 17:37:00 -251.337866 0.000001 Minimization converged after 17 steps. Pressure: -76.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:08 -251.758894 0.030074 LBFGSLineSearch: 1 17:37:12 -251.758976 0.007521 LBFGSLineSearch: 2 17:37:15 -251.758978 0.006126 LBFGSLineSearch: 3 17:37:20 -251.758978 0.003102 LBFGSLineSearch: 4 17:37:24 -251.758979 0.001388 LBFGSLineSearch: 5 17:37:27 -251.758979 0.001146 LBFGSLineSearch: 6 17:37:28 -251.758979 0.000838 LBFGSLineSearch: 7 17:37:32 -251.758979 0.000698 LBFGSLineSearch: 8 17:37:34 -251.758979 0.000956 LBFGSLineSearch: 9 17:37:37 -251.758979 0.000928 LBFGSLineSearch: 10 17:37:40 -251.758979 0.001078 LBFGSLineSearch: 11 17:37:43 -251.758979 0.000201 LBFGSLineSearch: 12 17:37:47 -251.758979 0.000049 LBFGSLineSearch: 13 17:37:48 -251.758979 0.000039 LBFGSLineSearch: 14 17:37:49 -251.758979 0.000036 LBFGSLineSearch: 15 17:37:50 -251.758979 0.000005 Minimization converged after 15 steps. Pressure: -77.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:37:57 -252.180179 0.030087 LBFGSLineSearch: 1 17:37:57 -252.180262 0.007534 LBFGSLineSearch: 2 17:37:58 -252.180264 0.006098 LBFGSLineSearch: 3 17:37:58 -252.180264 0.003090 LBFGSLineSearch: 4 17:37:59 -252.180264 0.001389 LBFGSLineSearch: 5 17:38:00 -252.180265 0.001150 LBFGSLineSearch: 6 17:38:00 -252.180265 0.000840 LBFGSLineSearch: 7 17:38:00 -252.180265 0.000701 LBFGSLineSearch: 8 17:38:01 -252.180265 0.000957 LBFGSLineSearch: 9 17:38:02 -252.180265 0.000924 LBFGSLineSearch: 10 17:38:03 -252.180265 0.001081 LBFGSLineSearch: 11 17:38:04 -252.180265 0.000195 LBFGSLineSearch: 12 17:38:07 -252.180265 0.000050 LBFGSLineSearch: 13 17:38:08 -252.180265 0.000039 LBFGSLineSearch: 14 17:38:08 -252.180265 0.000037 LBFGSLineSearch: 15 17:38:09 -252.180265 0.000006 Minimization converged after 15 steps. Pressure: -77.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:15 -252.601637 0.030100 LBFGSLineSearch: 1 17:38:16 -252.601721 0.007555 LBFGSLineSearch: 2 17:38:16 -252.601722 0.006100 LBFGSLineSearch: 3 17:38:16 -252.601723 0.003087 LBFGSLineSearch: 4 17:38:16 -252.601723 0.001392 LBFGSLineSearch: 5 17:38:17 -252.601723 0.001153 LBFGSLineSearch: 6 17:38:17 -252.601723 0.000841 LBFGSLineSearch: 7 17:38:17 -252.601723 0.000703 LBFGSLineSearch: 8 17:38:18 -252.601723 0.000958 LBFGSLineSearch: 9 17:38:18 -252.601724 0.000921 LBFGSLineSearch: 10 17:38:19 -252.601724 0.001088 LBFGSLineSearch: 11 17:38:19 -252.601724 0.000191 LBFGSLineSearch: 12 17:38:19 -252.601724 0.000051 LBFGSLineSearch: 13 17:38:19 -252.601724 0.000040 LBFGSLineSearch: 14 17:38:20 -252.601724 0.000038 LBFGSLineSearch: 15 17:38:20 -252.601724 0.000006 Minimization converged after 15 steps. Pressure: -78.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:28 -253.023269 0.030113 LBFGSLineSearch: 1 17:38:28 -253.023353 0.007576 LBFGSLineSearch: 2 17:38:28 -253.023354 0.006101 LBFGSLineSearch: 3 17:38:29 -253.023355 0.003084 LBFGSLineSearch: 4 17:38:30 -253.023355 0.001395 LBFGSLineSearch: 5 17:38:31 -253.023355 0.001156 LBFGSLineSearch: 6 17:38:32 -253.023355 0.000842 LBFGSLineSearch: 7 17:38:33 -253.023356 0.000704 LBFGSLineSearch: 8 17:38:34 -253.023356 0.000959 LBFGSLineSearch: 9 17:38:35 -253.023356 0.000917 LBFGSLineSearch: 10 17:38:36 -253.023356 0.001095 LBFGSLineSearch: 11 17:38:37 -253.023356 0.000187 LBFGSLineSearch: 12 17:38:38 -253.023356 0.000052 LBFGSLineSearch: 13 17:38:39 -253.023356 0.000041 LBFGSLineSearch: 14 17:38:39 -253.023356 0.000039 LBFGSLineSearch: 15 17:38:40 -253.023356 0.000006 Minimization converged after 15 steps. Pressure: -78.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:38:46 -253.445075 0.030125 LBFGSLineSearch: 1 17:38:48 -253.445159 0.007598 LBFGSLineSearch: 2 17:38:48 -253.445161 0.006102 LBFGSLineSearch: 3 17:38:50 -253.445162 0.003080 LBFGSLineSearch: 4 17:38:51 -253.445162 0.001397 LBFGSLineSearch: 5 17:38:51 -253.445162 0.001160 LBFGSLineSearch: 6 17:38:52 -253.445162 0.000843 LBFGSLineSearch: 7 17:38:52 -253.445162 0.000706 LBFGSLineSearch: 8 17:38:53 -253.445162 0.000961 LBFGSLineSearch: 9 17:38:53 -253.445162 0.000915 LBFGSLineSearch: 10 17:38:54 -253.445162 0.001104 LBFGSLineSearch: 11 17:38:54 -253.445163 0.000184 LBFGSLineSearch: 12 17:38:54 -253.445163 0.000054 LBFGSLineSearch: 13 17:38:54 -253.445163 0.000042 LBFGSLineSearch: 14 17:38:54 -253.445163 0.000040 LBFGSLineSearch: 15 17:38:55 -253.445163 0.000007 Minimization converged after 15 steps. Pressure: -79.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:02 -253.867056 0.030138 LBFGSLineSearch: 1 17:39:03 -253.867141 0.007620 LBFGSLineSearch: 2 17:39:04 -253.867142 0.006104 LBFGSLineSearch: 3 17:39:06 -253.867143 0.003077 LBFGSLineSearch: 4 17:39:07 -253.867143 0.001400 LBFGSLineSearch: 5 17:39:08 -253.867143 0.001163 LBFGSLineSearch: 6 17:39:08 -253.867143 0.000844 LBFGSLineSearch: 7 17:39:09 -253.867143 0.000708 LBFGSLineSearch: 8 17:39:12 -253.867144 0.000962 LBFGSLineSearch: 9 17:39:13 -253.867144 0.000910 LBFGSLineSearch: 10 17:39:14 -253.867144 0.001106 LBFGSLineSearch: 11 17:39:15 -253.867144 0.000179 LBFGSLineSearch: 12 17:39:16 -253.867144 0.000055 LBFGSLineSearch: 13 17:39:16 -253.867144 0.000042 LBFGSLineSearch: 14 17:39:17 -253.867144 0.000041 LBFGSLineSearch: 15 17:39:17 -253.867144 0.000007 Minimization converged after 15 steps. Pressure: -79.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:23 -254.289213 0.030150 LBFGSLineSearch: 1 17:39:24 -254.289298 0.007641 LBFGSLineSearch: 2 17:39:26 -254.289300 0.006105 LBFGSLineSearch: 3 17:39:28 -254.289300 0.003074 LBFGSLineSearch: 4 17:39:29 -254.289300 0.001403 LBFGSLineSearch: 5 17:39:30 -254.289301 0.001166 LBFGSLineSearch: 6 17:39:30 -254.289301 0.000845 LBFGSLineSearch: 7 17:39:30 -254.289301 0.000710 LBFGSLineSearch: 8 17:39:31 -254.289301 0.000963 LBFGSLineSearch: 9 17:39:33 -254.289301 0.000906 LBFGSLineSearch: 10 17:39:34 -254.289301 0.001112 LBFGSLineSearch: 11 17:39:35 -254.289301 0.000176 LBFGSLineSearch: 12 17:39:36 -254.289301 0.000056 LBFGSLineSearch: 13 17:39:37 -254.289301 0.000043 LBFGSLineSearch: 14 17:39:38 -254.289301 0.000041 LBFGSLineSearch: 15 17:39:38 -254.289301 0.000007 Minimization converged after 15 steps. Pressure: -80.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:39:47 -254.711547 0.030163 LBFGSLineSearch: 1 17:39:50 -254.711631 0.007664 LBFGSLineSearch: 2 17:39:53 -254.711633 0.006106 LBFGSLineSearch: 3 17:39:58 -254.711634 0.003071 LBFGSLineSearch: 4 17:40:02 -254.711634 0.001406 LBFGSLineSearch: 5 17:40:05 -254.711634 0.001169 LBFGSLineSearch: 6 17:40:07 -254.711634 0.000847 LBFGSLineSearch: 7 17:40:10 -254.711634 0.000712 LBFGSLineSearch: 8 17:40:14 -254.711634 0.000964 LBFGSLineSearch: 9 17:40:16 -254.711635 0.000905 LBFGSLineSearch: 10 17:40:17 -254.711635 0.001121 LBFGSLineSearch: 11 17:40:19 -254.711635 0.000172 LBFGSLineSearch: 12 17:40:22 -254.711635 0.000058 LBFGSLineSearch: 13 17:40:27 -254.711635 0.000044 LBFGSLineSearch: 14 17:40:32 -254.711635 0.000041 LBFGSLineSearch: 15 17:40:36 -254.711635 0.000007 Minimization converged after 15 steps. Pressure: -80.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:40:43 -255.134057 0.030176 LBFGSLineSearch: 1 17:40:47 -255.134142 0.007686 LBFGSLineSearch: 2 17:40:51 -255.134144 0.006109 LBFGSLineSearch: 3 17:40:54 -255.134145 0.003068 LBFGSLineSearch: 4 17:40:59 -255.134145 0.001408 LBFGSLineSearch: 5 17:41:02 -255.134145 0.001172 LBFGSLineSearch: 6 17:41:05 -255.134145 0.000848 LBFGSLineSearch: 7 17:41:08 -255.134145 0.000714 LBFGSLineSearch: 8 17:41:13 -255.134145 0.000966 LBFGSLineSearch: 9 17:41:17 -255.134145 0.000899 LBFGSLineSearch: 10 17:41:22 -255.134146 0.001119 LBFGSLineSearch: 11 17:41:25 -255.134146 0.000168 LBFGSLineSearch: 12 17:41:28 -255.134146 0.000059 LBFGSLineSearch: 13 17:41:30 -255.134146 0.000045 LBFGSLineSearch: 14 17:41:32 -255.134146 0.000041 LBFGSLineSearch: 15 17:41:34 -255.134146 0.000007 Minimization converged after 15 steps. Pressure: -81.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:40 -255.556746 0.030188 LBFGSLineSearch: 1 17:41:42 -255.556831 0.007708 LBFGSLineSearch: 2 17:41:43 -255.556833 0.006110 LBFGSLineSearch: 3 17:41:45 -255.556834 0.003064 LBFGSLineSearch: 4 17:41:46 -255.556834 0.001411 LBFGSLineSearch: 5 17:41:46 -255.556834 0.001176 LBFGSLineSearch: 6 17:41:47 -255.556834 0.000849 LBFGSLineSearch: 7 17:41:47 -255.556834 0.000716 LBFGSLineSearch: 8 17:41:47 -255.556834 0.000967 LBFGSLineSearch: 9 17:41:47 -255.556834 0.000895 LBFGSLineSearch: 10 17:41:48 -255.556835 0.001122 LBFGSLineSearch: 11 17:41:49 -255.556835 0.000165 LBFGSLineSearch: 12 17:41:49 -255.556835 0.000060 LBFGSLineSearch: 13 17:41:50 -255.556835 0.000046 LBFGSLineSearch: 14 17:41:50 -255.556835 0.000042 LBFGSLineSearch: 15 17:41:51 -255.556835 0.000007 Minimization converged after 15 steps. Pressure: -81.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:41:55 -255.979613 0.030201 LBFGSLineSearch: 1 17:41:57 -255.979699 0.007731 LBFGSLineSearch: 2 17:41:57 -255.979700 0.006112 LBFGSLineSearch: 3 17:41:58 -255.979701 0.003061 LBFGSLineSearch: 4 17:41:59 -255.979701 0.001414 LBFGSLineSearch: 5 17:41:59 -255.979702 0.001179 LBFGSLineSearch: 6 17:41:59 -255.979702 0.000850 LBFGSLineSearch: 7 17:41:59 -255.979702 0.000718 LBFGSLineSearch: 8 17:42:00 -255.979702 0.000969 LBFGSLineSearch: 9 17:42:00 -255.979702 0.000891 LBFGSLineSearch: 10 17:42:00 -255.979702 0.001125 LBFGSLineSearch: 11 17:42:00 -255.979702 0.000161 LBFGSLineSearch: 12 17:42:00 -255.979702 0.000062 LBFGSLineSearch: 13 17:42:00 -255.979702 0.000046 LBFGSLineSearch: 14 17:42:01 -255.979702 0.000045 LBFGSLineSearch: 15 17:42:01 -255.979702 0.000008 Minimization converged after 15 steps. Pressure: -82.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:06 -256.402659 0.030214 LBFGSLineSearch: 1 17:42:07 -256.402746 0.007753 LBFGSLineSearch: 2 17:42:07 -256.402748 0.006115 LBFGSLineSearch: 3 17:42:08 -256.402748 0.003058 LBFGSLineSearch: 4 17:42:10 -256.402749 0.001417 LBFGSLineSearch: 5 17:42:11 -256.402749 0.001182 LBFGSLineSearch: 6 17:42:11 -256.402749 0.000851 LBFGSLineSearch: 7 17:42:12 -256.402749 0.000720 LBFGSLineSearch: 8 17:42:12 -256.402749 0.000970 LBFGSLineSearch: 9 17:42:12 -256.402749 0.000887 LBFGSLineSearch: 10 17:42:13 -256.402749 0.001128 LBFGSLineSearch: 11 17:42:13 -256.402749 0.000158 LBFGSLineSearch: 12 17:42:13 -256.402749 0.000063 LBFGSLineSearch: 13 17:42:13 -256.402749 0.000047 LBFGSLineSearch: 14 17:42:14 -256.402749 0.000047 LBFGSLineSearch: 15 17:42:14 -256.402749 0.000008 Minimization converged after 15 steps. Pressure: -82.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:19 -256.825886 0.030227 LBFGSLineSearch: 1 17:42:20 -256.825973 0.007776 LBFGSLineSearch: 2 17:42:21 -256.825975 0.006117 LBFGSLineSearch: 3 17:42:22 -256.825976 0.003055 LBFGSLineSearch: 4 17:42:23 -256.825976 0.001420 LBFGSLineSearch: 5 17:42:23 -256.825976 0.001186 LBFGSLineSearch: 6 17:42:24 -256.825976 0.000852 LBFGSLineSearch: 7 17:42:25 -256.825976 0.000722 LBFGSLineSearch: 8 17:42:26 -256.825976 0.000971 LBFGSLineSearch: 9 17:42:27 -256.825976 0.000883 LBFGSLineSearch: 10 17:42:28 -256.825977 0.001130 LBFGSLineSearch: 11 17:42:28 -256.825977 0.000155 LBFGSLineSearch: 12 17:42:30 -256.825977 0.000064 LBFGSLineSearch: 13 17:42:31 -256.825977 0.000048 LBFGSLineSearch: 14 17:42:32 -256.825977 0.000049 LBFGSLineSearch: 15 17:42:33 -256.825977 0.000008 Minimization converged after 15 steps. Pressure: -83.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:42:38 -257.249294 0.030240 LBFGSLineSearch: 1 17:42:39 -257.249381 0.007798 LBFGSLineSearch: 2 17:42:39 -257.249383 0.006120 LBFGSLineSearch: 3 17:42:41 -257.249384 0.003052 LBFGSLineSearch: 4 17:42:43 -257.249384 0.001423 LBFGSLineSearch: 5 17:42:43 -257.249384 0.001189 LBFGSLineSearch: 6 17:42:44 -257.249384 0.000854 LBFGSLineSearch: 7 17:42:45 -257.249384 0.000724 LBFGSLineSearch: 8 17:42:46 -257.249385 0.000973 LBFGSLineSearch: 9 17:42:47 -257.249385 0.000879 LBFGSLineSearch: 10 17:42:48 -257.249385 0.001133 LBFGSLineSearch: 11 17:42:49 -257.249385 0.000152 LBFGSLineSearch: 12 17:42:51 -257.249385 0.000066 LBFGSLineSearch: 13 17:42:52 -257.249385 0.000049 LBFGSLineSearch: 14 17:42:52 -257.249385 0.000050 LBFGSLineSearch: 15 17:42:54 -257.249385 0.000008 Minimization converged after 15 steps. Pressure: -83.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:00 -257.672884 0.030253 LBFGSLineSearch: 1 17:43:01 -257.672972 0.007820 LBFGSLineSearch: 2 17:43:01 -257.672973 0.006123 LBFGSLineSearch: 3 17:43:01 -257.672974 0.003050 LBFGSLineSearch: 4 17:43:02 -257.672974 0.001426 LBFGSLineSearch: 5 17:43:02 -257.672975 0.001192 LBFGSLineSearch: 6 17:43:03 -257.672975 0.000855 LBFGSLineSearch: 7 17:43:04 -257.672975 0.000726 LBFGSLineSearch: 8 17:43:04 -257.672975 0.000974 LBFGSLineSearch: 9 17:43:04 -257.672975 0.000875 LBFGSLineSearch: 10 17:43:04 -257.672975 0.001134 LBFGSLineSearch: 11 17:43:05 -257.672975 0.000149 LBFGSLineSearch: 12 17:43:05 -257.672975 0.000067 LBFGSLineSearch: 13 17:43:05 -257.672975 0.000050 LBFGSLineSearch: 14 17:43:05 -257.672975 0.000051 LBFGSLineSearch: 15 17:43:05 -257.672975 0.000008 Minimization converged after 15 steps. Pressure: -84.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:11 -258.096657 0.030266 LBFGSLineSearch: 1 17:43:14 -258.096744 0.007843 LBFGSLineSearch: 2 17:43:16 -258.096746 0.006126 LBFGSLineSearch: 3 17:43:17 -258.096747 0.003047 LBFGSLineSearch: 4 17:43:18 -258.096747 0.001429 LBFGSLineSearch: 5 17:43:18 -258.096747 0.001196 LBFGSLineSearch: 6 17:43:19 -258.096747 0.000856 LBFGSLineSearch: 7 17:43:20 -258.096748 0.000728 LBFGSLineSearch: 8 17:43:20 -258.096748 0.000976 LBFGSLineSearch: 9 17:43:20 -258.096748 0.000871 LBFGSLineSearch: 10 17:43:22 -258.096748 0.001134 LBFGSLineSearch: 11 17:43:22 -258.096748 0.000146 LBFGSLineSearch: 12 17:43:25 -258.096748 0.000068 LBFGSLineSearch: 13 17:43:27 -258.096748 0.000051 LBFGSLineSearch: 14 17:43:30 -258.096748 0.000050 LBFGSLineSearch: 15 17:43:34 -258.096748 0.000008 Minimization converged after 15 steps. Pressure: -84.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:43:41 -258.520612 0.030279 LBFGSLineSearch: 1 17:43:44 -258.520701 0.007865 LBFGSLineSearch: 2 17:43:48 -258.520703 0.006129 LBFGSLineSearch: 3 17:43:52 -258.520703 0.003044 LBFGSLineSearch: 4 17:43:56 -258.520704 0.001432 LBFGSLineSearch: 5 17:44:00 -258.520704 0.001199 LBFGSLineSearch: 6 17:44:03 -258.520704 0.000858 LBFGSLineSearch: 7 17:44:07 -258.520704 0.000730 LBFGSLineSearch: 8 17:44:11 -258.520704 0.000977 LBFGSLineSearch: 9 17:44:13 -258.520704 0.000867 LBFGSLineSearch: 10 17:44:16 -258.520704 0.001135 LBFGSLineSearch: 11 17:44:18 -258.520704 0.000143 LBFGSLineSearch: 12 17:44:20 -258.520704 0.000070 LBFGSLineSearch: 13 17:44:23 -258.520704 0.000052 LBFGSLineSearch: 14 17:44:27 -258.520704 0.000049 LBFGSLineSearch: 15 17:44:30 -258.520704 0.000009 Minimization converged after 15 steps. Pressure: -85.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:44:36 -258.944753 0.030292 LBFGSLineSearch: 1 17:44:41 -258.944841 0.007887 LBFGSLineSearch: 2 17:44:44 -258.944843 0.006132 LBFGSLineSearch: 3 17:44:49 -258.944844 0.003041 LBFGSLineSearch: 4 17:44:54 -258.944844 0.001435 LBFGSLineSearch: 5 17:44:57 -258.944844 0.001202 LBFGSLineSearch: 6 17:45:00 -258.944844 0.000859 LBFGSLineSearch: 7 17:45:01 -258.944844 0.000733 LBFGSLineSearch: 8 17:45:06 -258.944844 0.000979 LBFGSLineSearch: 9 17:45:10 -258.944845 0.000863 LBFGSLineSearch: 10 17:45:14 -258.944845 0.001135 LBFGSLineSearch: 11 17:45:17 -258.944845 0.000140 LBFGSLineSearch: 12 17:45:21 -258.944845 0.000071 LBFGSLineSearch: 13 17:45:26 -258.944845 0.000053 LBFGSLineSearch: 14 17:45:31 -258.944845 0.000047 LBFGSLineSearch: 15 17:45:36 -258.944845 0.000009 Minimization converged after 15 steps. Pressure: -85.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:45:44 -259.369078 0.030305 LBFGSLineSearch: 1 17:45:48 -259.369167 0.007910 LBFGSLineSearch: 2 17:45:49 -259.369169 0.006135 LBFGSLineSearch: 3 17:45:51 -259.369169 0.003038 LBFGSLineSearch: 4 17:45:52 -259.369170 0.001438 LBFGSLineSearch: 5 17:45:53 -259.369170 0.001206 LBFGSLineSearch: 6 17:45:54 -259.369170 0.000861 LBFGSLineSearch: 7 17:45:54 -259.369170 0.000735 LBFGSLineSearch: 8 17:45:55 -259.369170 0.000980 LBFGSLineSearch: 9 17:45:56 -259.369170 0.000860 LBFGSLineSearch: 10 17:45:56 -259.369170 0.001136 LBFGSLineSearch: 11 17:45:57 -259.369170 0.000138 LBFGSLineSearch: 12 17:45:57 -259.369170 0.000072 LBFGSLineSearch: 13 17:45:57 -259.369170 0.000054 LBFGSLineSearch: 14 17:45:58 -259.369170 0.000044 LBFGSLineSearch: 15 17:45:58 -259.369170 0.000009 Minimization converged after 15 steps. Pressure: -86.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:46:05 -259.793589 0.030318 LBFGSLineSearch: 1 17:46:08 -259.793678 0.007933 LBFGSLineSearch: 2 17:46:11 -259.793680 0.006139 LBFGSLineSearch: 3 17:46:14 -259.793681 0.003035 LBFGSLineSearch: 4 17:46:17 -259.793681 0.001442 LBFGSLineSearch: 5 17:46:19 -259.793681 0.001210 LBFGSLineSearch: 6 17:46:21 -259.793681 0.000862 LBFGSLineSearch: 7 17:46:23 -259.793681 0.000738 LBFGSLineSearch: 8 17:46:26 -259.793681 0.000982 LBFGSLineSearch: 9 17:46:30 -259.793682 0.000856 LBFGSLineSearch: 10 17:46:35 -259.793682 0.001134 LBFGSLineSearch: 11 17:46:39 -259.793682 0.000135 LBFGSLineSearch: 12 17:46:43 -259.793682 0.000074 LBFGSLineSearch: 13 17:46:45 -259.793682 0.000055 LBFGSLineSearch: 14 17:46:48 -259.793682 0.000041 LBFGSLineSearch: 15 17:46:51 -259.793682 0.000009 Minimization converged after 15 steps. Pressure: -86.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:46:58 -260.218287 0.030332 LBFGSLineSearch: 1 17:47:01 -260.218376 0.007956 LBFGSLineSearch: 2 17:47:03 -260.218378 0.006141 LBFGSLineSearch: 3 17:47:07 -260.218379 0.003032 LBFGSLineSearch: 4 17:47:11 -260.218379 0.001445 LBFGSLineSearch: 5 17:47:14 -260.218379 0.001213 LBFGSLineSearch: 6 17:47:16 -260.218379 0.000864 LBFGSLineSearch: 7 17:47:18 -260.218379 0.000740 LBFGSLineSearch: 8 17:47:20 -260.218380 0.000984 LBFGSLineSearch: 9 17:47:23 -260.218380 0.000853 LBFGSLineSearch: 10 17:47:26 -260.218380 0.001134 LBFGSLineSearch: 11 17:47:28 -260.218380 0.000133 LBFGSLineSearch: 12 17:47:30 -260.218380 0.000075 LBFGSLineSearch: 13 17:47:33 -260.218380 0.000056 LBFGSLineSearch: 14 17:47:37 -260.218380 0.000037 LBFGSLineSearch: 15 17:47:41 -260.218380 0.000009 Minimization converged after 15 steps. Pressure: -87.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:47:49 -260.643172 0.030345 LBFGSLineSearch: 1 17:47:51 -260.643262 0.007980 LBFGSLineSearch: 2 17:47:53 -260.643264 0.006145 LBFGSLineSearch: 3 17:47:55 -260.643265 0.003029 LBFGSLineSearch: 4 17:47:58 -260.643265 0.001448 LBFGSLineSearch: 5 17:48:00 -260.643265 0.001217 LBFGSLineSearch: 6 17:48:03 -260.643265 0.000865 LBFGSLineSearch: 7 17:48:06 -260.643265 0.000742 LBFGSLineSearch: 8 17:48:10 -260.643265 0.000985 LBFGSLineSearch: 9 17:48:14 -260.643265 0.000849 LBFGSLineSearch: 10 17:48:18 -260.643266 0.001131 LBFGSLineSearch: 11 17:48:22 -260.643266 0.000130 LBFGSLineSearch: 12 17:48:27 -260.643266 0.000076 LBFGSLineSearch: 13 17:48:31 -260.643266 0.000057 LBFGSLineSearch: 14 17:48:35 -260.643266 0.000033 LBFGSLineSearch: 15 17:48:39 -260.643266 0.000009 Minimization converged after 15 steps. Pressure: -87.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:48:47 -261.068246 0.030358 LBFGSLineSearch: 1 17:48:51 -261.068336 0.008005 LBFGSLineSearch: 2 17:48:54 -261.068338 0.006148 LBFGSLineSearch: 3 17:48:58 -261.068339 0.003026 LBFGSLineSearch: 4 17:49:02 -261.068339 0.001451 LBFGSLineSearch: 5 17:49:04 -261.068339 0.001220 LBFGSLineSearch: 6 17:49:06 -261.068339 0.000867 LBFGSLineSearch: 7 17:49:10 -261.068339 0.000732 LBFGSLineSearch: 8 17:49:13 -261.068340 0.000862 LBFGSLineSearch: 9 17:49:17 -261.068340 0.001265 LBFGSLineSearch: 10 17:49:21 -261.068340 0.000817 LBFGSLineSearch: 11 17:49:24 -261.068340 0.000126 LBFGSLineSearch: 12 17:49:27 -261.068340 0.000080 LBFGSLineSearch: 13 17:49:31 -261.068340 0.000054 LBFGSLineSearch: 14 17:49:34 -261.068340 0.000034 LBFGSLineSearch: 15 17:49:37 -261.068340 0.000010 Minimization converged after 15 steps. Pressure: -88.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:49:45 -261.493509 0.030372 LBFGSLineSearch: 1 17:49:49 -261.493599 0.008038 LBFGSLineSearch: 2 17:49:52 -261.493602 0.006152 LBFGSLineSearch: 3 17:49:56 -261.493602 0.003024 LBFGSLineSearch: 4 17:50:00 -261.493603 0.001455 LBFGSLineSearch: 5 17:50:02 -261.493603 0.001224 LBFGSLineSearch: 6 17:50:04 -261.493603 0.000868 LBFGSLineSearch: 7 17:50:07 -261.493603 0.000734 LBFGSLineSearch: 8 17:50:10 -261.493603 0.000865 LBFGSLineSearch: 9 17:50:14 -261.493603 0.001273 LBFGSLineSearch: 10 17:50:18 -261.493603 0.000810 LBFGSLineSearch: 11 17:50:22 -261.493603 0.000127 LBFGSLineSearch: 12 17:50:27 -261.493603 0.000081 LBFGSLineSearch: 13 17:50:30 -261.493603 0.000055 LBFGSLineSearch: 14 17:50:34 -261.493603 0.000033 LBFGSLineSearch: 15 17:50:38 -261.493603 0.000010 Minimization converged after 15 steps. Pressure: -88.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:50:46 -261.918962 0.030386 LBFGSLineSearch: 1 17:50:51 -261.919053 0.008063 LBFGSLineSearch: 2 17:50:54 -261.919055 0.006156 LBFGSLineSearch: 3 17:50:59 -261.919056 0.003021 LBFGSLineSearch: 4 17:51:02 -261.919056 0.001458 LBFGSLineSearch: 5 17:51:06 -261.919056 0.001227 LBFGSLineSearch: 6 17:51:08 -261.919056 0.000870 LBFGSLineSearch: 7 17:51:11 -261.919056 0.000738 LBFGSLineSearch: 8 17:51:17 -261.919056 0.000866 LBFGSLineSearch: 9 17:51:21 -261.919057 0.001280 LBFGSLineSearch: 10 17:51:26 -261.919057 0.000801 LBFGSLineSearch: 11 17:51:29 -261.919057 0.000127 LBFGSLineSearch: 12 17:51:34 -261.919057 0.000083 LBFGSLineSearch: 13 17:51:39 -261.919057 0.000056 LBFGSLineSearch: 14 17:51:44 -261.919057 0.000032 LBFGSLineSearch: 15 17:51:49 -261.919057 0.000010 Minimization converged after 15 steps. Pressure: -89.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:51:57 -262.344606 0.030400 LBFGSLineSearch: 1 17:51:58 -262.344699 0.008506 LBFGSLineSearch: 2 17:52:00 -262.344701 0.006243 LBFGSLineSearch: 3 17:52:04 -262.344702 0.003077 LBFGSLineSearch: 4 17:52:08 -262.344702 0.001247 LBFGSLineSearch: 5 17:52:11 -262.344703 0.001135 LBFGSLineSearch: 6 17:52:14 -262.344703 0.000859 LBFGSLineSearch: 7 17:52:17 -262.344703 0.000716 LBFGSLineSearch: 8 17:52:21 -262.344703 0.000597 LBFGSLineSearch: 9 17:52:24 -262.344703 0.000689 LBFGSLineSearch: 10 17:52:28 -262.344703 0.000787 LBFGSLineSearch: 11 17:52:32 -262.344703 0.000380 LBFGSLineSearch: 12 17:52:36 -262.344703 0.000290 LBFGSLineSearch: 13 17:52:39 -262.344703 0.000260 LBFGSLineSearch: 14 17:52:43 -262.344703 0.000113 LBFGSLineSearch: 15 17:52:46 -262.344703 0.000071 LBFGSLineSearch: 16 17:52:51 -262.344703 0.000033 LBFGSLineSearch: 17 17:52:54 -262.344703 0.000024 LBFGSLineSearch: 18 17:52:58 -262.344703 0.000003 Minimization converged after 18 steps. Pressure: -89.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:06 -262.770445 0.030411 LBFGSLineSearch: 1 17:53:09 -262.770537 0.008128 LBFGSLineSearch: 2 17:53:11 -262.770540 0.006179 LBFGSLineSearch: 3 17:53:15 -262.770540 0.003019 LBFGSLineSearch: 4 17:53:19 -262.770541 0.001466 LBFGSLineSearch: 5 17:53:21 -262.770541 0.001235 LBFGSLineSearch: 6 17:53:23 -262.770541 0.000873 LBFGSLineSearch: 7 17:53:24 -262.770541 0.000745 LBFGSLineSearch: 8 17:53:25 -262.770541 0.000870 LBFGSLineSearch: 9 17:53:28 -262.770541 0.001295 LBFGSLineSearch: 10 17:53:31 -262.770541 0.000783 LBFGSLineSearch: 11 17:53:32 -262.770541 0.000127 LBFGSLineSearch: 12 17:53:33 -262.770541 0.000086 LBFGSLineSearch: 13 17:53:34 -262.770541 0.000058 LBFGSLineSearch: 14 17:53:36 -262.770541 0.000029 LBFGSLineSearch: 15 17:53:40 -262.770541 0.000009 Minimization converged after 15 steps. Pressure: -90.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:53:46 -263.196476 0.030426 LBFGSLineSearch: 1 17:53:50 -263.196568 0.008141 LBFGSLineSearch: 2 17:53:51 -263.196571 0.006168 LBFGSLineSearch: 3 17:53:52 -263.196572 0.003012 LBFGSLineSearch: 4 17:53:52 -263.196572 0.001469 LBFGSLineSearch: 5 17:53:52 -263.196572 0.001239 LBFGSLineSearch: 6 17:53:53 -263.196572 0.000875 LBFGSLineSearch: 7 17:53:53 -263.196572 0.000750 LBFGSLineSearch: 8 17:53:53 -263.196572 0.000870 LBFGSLineSearch: 9 17:53:55 -263.196572 0.001306 LBFGSLineSearch: 10 17:53:56 -263.196573 0.000774 LBFGSLineSearch: 11 17:53:57 -263.196573 0.000126 LBFGSLineSearch: 12 17:53:59 -263.196573 0.000087 LBFGSLineSearch: 13 17:54:00 -263.196573 0.000058 LBFGSLineSearch: 14 17:54:02 -263.196573 0.000028 LBFGSLineSearch: 15 17:54:04 -263.196573 0.000010 LBFGSLineSearch: 16 17:54:05 -263.196573 0.000007 Minimization converged after 16 steps. Pressure: -90.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:11 -263.622700 0.030440 LBFGSLineSearch: 1 17:54:12 -263.622793 0.008205 LBFGSLineSearch: 2 17:54:13 -263.622796 0.006246 LBFGSLineSearch: 3 17:54:14 -263.622796 0.003032 LBFGSLineSearch: 4 17:54:14 -263.622797 0.001474 LBFGSLineSearch: 5 17:54:14 -263.622797 0.001242 LBFGSLineSearch: 6 17:54:15 -263.622797 0.000877 LBFGSLineSearch: 7 17:54:15 -263.622797 0.000752 LBFGSLineSearch: 8 17:54:16 -263.622797 0.000879 LBFGSLineSearch: 9 17:54:19 -263.622797 0.001300 LBFGSLineSearch: 10 17:54:19 -263.622797 0.000775 LBFGSLineSearch: 11 17:54:20 -263.622797 0.000126 LBFGSLineSearch: 12 17:54:21 -263.622797 0.000089 LBFGSLineSearch: 13 17:54:21 -263.622797 0.000059 LBFGSLineSearch: 14 17:54:22 -263.622797 0.000027 LBFGSLineSearch: 15 17:54:23 -263.622797 0.000010 Minimization converged after 15 steps. Pressure: -91.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:29 -264.049119 0.030454 LBFGSLineSearch: 1 17:54:31 -264.049213 0.008194 LBFGSLineSearch: 2 17:54:32 -264.049215 0.006176 LBFGSLineSearch: 3 17:54:33 -264.049216 0.003007 LBFGSLineSearch: 4 17:54:34 -264.049216 0.001476 LBFGSLineSearch: 5 17:54:35 -264.049216 0.001246 LBFGSLineSearch: 6 17:54:36 -264.049216 0.000879 LBFGSLineSearch: 7 17:54:37 -264.049216 0.000759 LBFGSLineSearch: 8 17:54:38 -264.049216 0.000872 LBFGSLineSearch: 9 17:54:40 -264.049217 0.001319 LBFGSLineSearch: 10 17:54:41 -264.049217 0.000753 LBFGSLineSearch: 11 17:54:42 -264.049217 0.000125 LBFGSLineSearch: 12 17:54:43 -264.049217 0.000090 LBFGSLineSearch: 13 17:54:44 -264.049217 0.000060 LBFGSLineSearch: 14 17:54:45 -264.049217 0.000025 LBFGSLineSearch: 15 17:54:47 -264.049217 0.000011 LBFGSLineSearch: 16 17:54:47 -264.049217 0.000007 Minimization converged after 16 steps. Pressure: -91.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:54:54 -264.475734 0.030467 LBFGSLineSearch: 1 17:54:56 -264.475828 0.008258 LBFGSLineSearch: 2 17:54:57 -264.475830 0.006251 LBFGSLineSearch: 3 17:54:59 -264.475831 0.003025 LBFGSLineSearch: 4 17:55:00 -264.475831 0.001482 LBFGSLineSearch: 5 17:55:01 -264.475831 0.001250 LBFGSLineSearch: 6 17:55:03 -264.475831 0.000880 LBFGSLineSearch: 7 17:55:05 -264.475831 0.000761 LBFGSLineSearch: 8 17:55:06 -264.475831 0.000880 LBFGSLineSearch: 9 17:55:08 -264.475832 0.001314 LBFGSLineSearch: 10 17:55:11 -264.475832 0.000754 LBFGSLineSearch: 11 17:55:12 -264.475832 0.000125 LBFGSLineSearch: 12 17:55:12 -264.475832 0.000092 LBFGSLineSearch: 13 17:55:12 -264.475832 0.000061 LBFGSLineSearch: 14 17:55:13 -264.475832 0.000024 LBFGSLineSearch: 15 17:55:13 -264.475832 0.000010 Minimization converged after 15 steps. Pressure: -92.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:19 -264.902545 0.030482 LBFGSLineSearch: 1 17:55:20 -264.902639 0.008249 LBFGSLineSearch: 2 17:55:20 -264.902642 0.006192 LBFGSLineSearch: 3 17:55:22 -264.902642 0.002871 LBFGSLineSearch: 4 17:55:24 -264.902643 0.001517 LBFGSLineSearch: 5 17:55:25 -264.902643 0.001211 LBFGSLineSearch: 6 17:55:26 -264.902643 0.000838 LBFGSLineSearch: 7 17:55:28 -264.902643 0.000783 LBFGSLineSearch: 8 17:55:31 -264.902643 0.000812 LBFGSLineSearch: 9 17:55:33 -264.902643 0.001087 LBFGSLineSearch: 10 17:55:34 -264.902643 0.000667 LBFGSLineSearch: 11 17:55:34 -264.902643 0.000377 LBFGSLineSearch: 12 17:55:35 -264.902643 0.000434 LBFGSLineSearch: 13 17:55:37 -264.902643 0.000163 LBFGSLineSearch: 14 17:55:39 -264.902643 0.000083 LBFGSLineSearch: 15 17:55:39 -264.902643 0.000067 LBFGSLineSearch: 16 17:55:40 -264.902643 0.000058 LBFGSLineSearch: 17 17:55:42 -264.902643 0.000002 Minimization converged after 17 steps. Pressure: -92.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:55:48 -265.329555 0.030494 LBFGSLineSearch: 1 17:55:50 -265.329650 0.008275 LBFGSLineSearch: 2 17:55:52 -265.329652 0.006202 LBFGSLineSearch: 3 17:55:53 -265.329653 0.003002 LBFGSLineSearch: 4 17:55:53 -265.329653 0.001488 LBFGSLineSearch: 5 17:55:53 -265.329653 0.001258 LBFGSLineSearch: 6 17:55:53 -265.329653 0.000884 LBFGSLineSearch: 7 17:55:54 -265.329653 0.000772 LBFGSLineSearch: 8 17:55:54 -265.329654 0.000875 LBFGSLineSearch: 9 17:55:54 -265.329654 0.001341 LBFGSLineSearch: 10 17:55:54 -265.329654 0.000726 LBFGSLineSearch: 11 17:55:55 -265.329654 0.000123 LBFGSLineSearch: 12 17:55:56 -265.329654 0.000095 LBFGSLineSearch: 13 17:55:58 -265.329654 0.000063 LBFGSLineSearch: 14 17:56:01 -265.329654 0.000021 LBFGSLineSearch: 15 17:56:02 -265.329654 0.000010 Minimization converged after 15 steps. Pressure: -93.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:08 -265.756764 0.030510 LBFGSLineSearch: 1 17:56:09 -265.756859 0.008305 LBFGSLineSearch: 2 17:56:11 -265.756861 0.006196 LBFGSLineSearch: 3 17:56:15 -265.756862 0.002996 LBFGSLineSearch: 4 17:56:18 -265.756862 0.001491 LBFGSLineSearch: 5 17:56:21 -265.756862 0.001262 LBFGSLineSearch: 6 17:56:22 -265.756862 0.000887 LBFGSLineSearch: 7 17:56:26 -265.756862 0.000777 LBFGSLineSearch: 8 17:56:29 -265.756863 0.000875 LBFGSLineSearch: 9 17:56:32 -265.756863 0.001354 LBFGSLineSearch: 10 17:56:34 -265.756863 0.000712 LBFGSLineSearch: 11 17:56:36 -265.756863 0.000122 LBFGSLineSearch: 12 17:56:40 -265.756863 0.000096 LBFGSLineSearch: 13 17:56:43 -265.756863 0.000066 LBFGSLineSearch: 14 17:56:46 -265.756863 0.000020 LBFGSLineSearch: 15 17:56:50 -265.756863 0.000011 LBFGSLineSearch: 16 17:56:52 -265.756863 0.000007 Minimization converged after 16 steps. Pressure: -93.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:56:59 -266.184171 0.030524 LBFGSLineSearch: 1 17:57:02 -266.184267 0.008363 LBFGSLineSearch: 2 17:57:05 -266.184269 0.006258 LBFGSLineSearch: 3 17:57:10 -266.184270 0.003010 LBFGSLineSearch: 4 17:57:14 -266.184270 0.001497 LBFGSLineSearch: 5 17:57:16 -266.184270 0.001265 LBFGSLineSearch: 6 17:57:19 -266.184271 0.000888 LBFGSLineSearch: 7 17:57:21 -266.184271 0.000780 LBFGSLineSearch: 8 17:57:23 -266.184271 0.000882 LBFGSLineSearch: 9 17:57:24 -266.184271 0.001348 LBFGSLineSearch: 10 17:57:28 -266.184271 0.000711 LBFGSLineSearch: 11 17:57:30 -266.184271 0.000122 LBFGSLineSearch: 12 17:57:32 -266.184271 0.000098 LBFGSLineSearch: 13 17:57:36 -266.184271 0.000069 LBFGSLineSearch: 14 17:57:38 -266.184271 0.000019 LBFGSLineSearch: 15 17:57:42 -266.184271 0.000010 LBFGSLineSearch: 16 17:57:46 -266.184271 0.000007 Minimization converged after 16 steps. Pressure: -94.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:57:54 -266.611780 0.030538 LBFGSLineSearch: 1 17:57:59 -266.611875 0.008390 LBFGSLineSearch: 2 17:58:01 -266.611878 0.006259 LBFGSLineSearch: 3 17:58:03 -266.611879 0.003006 LBFGSLineSearch: 4 17:58:07 -266.611879 0.001500 LBFGSLineSearch: 5 17:58:12 -266.611879 0.001269 LBFGSLineSearch: 6 17:58:15 -266.611879 0.000890 LBFGSLineSearch: 7 17:58:17 -266.611879 0.000785 LBFGSLineSearch: 8 17:58:20 -266.611879 0.000882 LBFGSLineSearch: 9 17:58:23 -266.611880 0.001358 LBFGSLineSearch: 10 17:58:28 -266.611880 0.000699 LBFGSLineSearch: 11 17:58:30 -266.611880 0.000122 LBFGSLineSearch: 12 17:58:34 -266.611880 0.000099 LBFGSLineSearch: 13 17:58:38 -266.611880 0.000072 LBFGSLineSearch: 14 17:58:43 -266.611880 0.000018 LBFGSLineSearch: 15 17:58:47 -266.611880 0.000010 LBFGSLineSearch: 16 17:58:50 -266.611880 0.000007 Minimization converged after 16 steps. Pressure: -94.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:58:57 -267.039589 0.030552 LBFGSLineSearch: 1 17:58:59 -267.039685 0.008417 LBFGSLineSearch: 2 17:59:02 -267.039688 0.006260 LBFGSLineSearch: 3 17:59:06 -267.039689 0.003002 LBFGSLineSearch: 4 17:59:10 -267.039689 0.001504 LBFGSLineSearch: 5 17:59:14 -267.039689 0.001273 LBFGSLineSearch: 6 17:59:17 -267.039689 0.000892 LBFGSLineSearch: 7 17:59:22 -267.039689 0.000790 LBFGSLineSearch: 8 17:59:25 -267.039689 0.000882 LBFGSLineSearch: 9 17:59:30 -267.039689 0.001368 LBFGSLineSearch: 10 17:59:34 -267.039690 0.000688 LBFGSLineSearch: 11 17:59:37 -267.039690 0.000124 LBFGSLineSearch: 12 17:59:41 -267.039690 0.000100 LBFGSLineSearch: 13 17:59:44 -267.039690 0.000076 LBFGSLineSearch: 14 17:59:46 -267.039690 0.000017 LBFGSLineSearch: 15 17:59:49 -267.039690 0.000011 LBFGSLineSearch: 16 17:59:54 -267.039690 0.000007 Minimization converged after 16 steps. Pressure: -95.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:00:01 -267.467601 0.030567 LBFGSLineSearch: 1 18:00:05 -267.467697 0.008443 LBFGSLineSearch: 2 18:00:10 -267.467700 0.006260 LBFGSLineSearch: 3 18:00:14 -267.467701 0.002998 LBFGSLineSearch: 4 18:00:19 -267.467701 0.001508 LBFGSLineSearch: 5 18:00:23 -267.467701 0.001277 LBFGSLineSearch: 6 18:00:27 -267.467701 0.000894 LBFGSLineSearch: 7 18:00:31 -267.467701 0.000795 LBFGSLineSearch: 8 18:00:33 -267.467701 0.000882 LBFGSLineSearch: 9 18:00:36 -267.467702 0.001376 LBFGSLineSearch: 10 18:00:41 -267.467702 0.000677 LBFGSLineSearch: 11 18:00:44 -267.467702 0.000126 LBFGSLineSearch: 12 18:00:48 -267.467702 0.000102 LBFGSLineSearch: 13 18:00:54 -267.467702 0.000079 LBFGSLineSearch: 14 18:01:00 -267.467702 0.000016 LBFGSLineSearch: 15 18:01:05 -267.467702 0.000011 LBFGSLineSearch: 16 18:01:11 -267.467702 0.000007 Minimization converged after 16 steps. Pressure: -95.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:01:17 -267.895815 0.030581 LBFGSLineSearch: 1 18:01:21 -267.895913 0.007979 LBFGSLineSearch: 2 18:01:24 -267.895916 0.006202 LBFGSLineSearch: 3 18:01:29 -267.895917 0.002904 LBFGSLineSearch: 4 18:01:33 -267.895917 0.002237 LBFGSLineSearch: 5 18:01:38 -267.895917 0.001756 LBFGSLineSearch: 6 18:01:42 -267.895917 0.001324 LBFGSLineSearch: 7 18:01:46 -267.895918 0.001361 LBFGSLineSearch: 8 18:01:50 -267.895918 0.001393 LBFGSLineSearch: 9 18:01:53 -267.895918 0.001023 LBFGSLineSearch: 10 18:01:58 -267.895918 0.001251 LBFGSLineSearch: 11 18:02:02 -267.895919 0.000808 LBFGSLineSearch: 12 18:02:06 -267.895919 0.000620 LBFGSLineSearch: 13 18:02:11 -267.895919 0.000673 LBFGSLineSearch: 14 18:02:15 -267.895919 0.000166 LBFGSLineSearch: 15 18:02:21 -267.895919 0.000136 LBFGSLineSearch: 16 18:02:25 -267.895919 0.000084 LBFGSLineSearch: 17 18:02:30 -267.895919 0.000058 LBFGSLineSearch: 18 18:02:33 -267.895919 0.000004 Minimization converged after 18 steps. Pressure: -96.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:02:38 -268.324241 0.030595 LBFGSLineSearch: 1 18:02:39 -268.324339 0.008496 LBFGSLineSearch: 2 18:02:40 -268.324341 0.006258 LBFGSLineSearch: 3 18:02:41 -268.324342 0.002989 LBFGSLineSearch: 4 18:02:42 -268.324342 0.001517 LBFGSLineSearch: 5 18:02:43 -268.324342 0.001285 LBFGSLineSearch: 6 18:02:44 -268.324342 0.000899 LBFGSLineSearch: 7 18:02:46 -268.324343 0.000807 LBFGSLineSearch: 8 18:02:47 -268.324343 0.000881 LBFGSLineSearch: 9 18:02:47 -268.324343 0.001401 LBFGSLineSearch: 10 18:02:47 -268.324343 0.000652 LBFGSLineSearch: 11 18:02:47 -268.324343 0.000131 LBFGSLineSearch: 12 18:02:47 -268.324343 0.000105 LBFGSLineSearch: 13 18:02:47 -268.324343 0.000087 LBFGSLineSearch: 14 18:02:48 -268.324343 0.000014 LBFGSLineSearch: 15 18:02:48 -268.324343 0.000010 LBFGSLineSearch: 16 18:02:49 -268.324343 0.000007 Minimization converged after 16 steps. Pressure: -96.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:02:56 -268.752870 0.030611 LBFGSLineSearch: 1 18:02:56 -268.752968 0.008520 LBFGSLineSearch: 2 18:02:57 -268.752971 0.006259 LBFGSLineSearch: 3 18:02:57 -268.752972 0.002984 LBFGSLineSearch: 4 18:02:57 -268.752972 0.001521 LBFGSLineSearch: 5 18:02:58 -268.752972 0.001290 LBFGSLineSearch: 6 18:02:59 -268.752972 0.000901 LBFGSLineSearch: 7 18:02:59 -268.752972 0.000811 LBFGSLineSearch: 8 18:03:00 -268.752972 0.000881 LBFGSLineSearch: 9 18:03:01 -268.752973 0.001405 LBFGSLineSearch: 10 18:03:02 -268.752973 0.000643 LBFGSLineSearch: 11 18:03:04 -268.752973 0.000133 LBFGSLineSearch: 12 18:03:05 -268.752973 0.000107 LBFGSLineSearch: 13 18:03:06 -268.752973 0.000092 LBFGSLineSearch: 14 18:03:07 -268.752973 0.000014 LBFGSLineSearch: 15 18:03:08 -268.752973 0.000011 LBFGSLineSearch: 16 18:03:09 -268.752973 0.000007 Minimization converged after 16 steps. Pressure: -97.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:03:15 -269.181706 0.030625 LBFGSLineSearch: 1 18:03:16 -269.181804 0.008545 LBFGSLineSearch: 2 18:03:17 -269.181807 0.006257 LBFGSLineSearch: 3 18:03:18 -269.181808 0.002979 LBFGSLineSearch: 4 18:03:20 -269.181808 0.001525 LBFGSLineSearch: 5 18:03:20 -269.181808 0.001294 LBFGSLineSearch: 6 18:03:21 -269.181808 0.000903 LBFGSLineSearch: 7 18:03:21 -269.181808 0.000816 LBFGSLineSearch: 8 18:03:22 -269.181809 0.000881 LBFGSLineSearch: 9 18:03:23 -269.181809 0.001416 LBFGSLineSearch: 10 18:03:23 -269.181809 0.000632 LBFGSLineSearch: 11 18:03:24 -269.181809 0.000136 LBFGSLineSearch: 12 18:03:24 -269.181809 0.000108 LBFGSLineSearch: 13 18:03:24 -269.181809 0.000095 LBFGSLineSearch: 14 18:03:24 -269.181809 0.000014 LBFGSLineSearch: 15 18:03:25 -269.181809 0.000011 LBFGSLineSearch: 16 18:03:25 -269.181809 0.000007 Minimization converged after 16 steps. Pressure: -97.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:03:31 -269.610749 0.030640 LBFGSLineSearch: 1 18:03:31 -269.610848 0.008572 LBFGSLineSearch: 2 18:03:32 -269.610851 0.006257 LBFGSLineSearch: 3 18:03:32 -269.610851 0.002975 LBFGSLineSearch: 4 18:03:32 -269.610852 0.001529 LBFGSLineSearch: 5 18:03:32 -269.610852 0.001298 LBFGSLineSearch: 6 18:03:32 -269.610852 0.000906 LBFGSLineSearch: 7 18:03:32 -269.610852 0.000821 LBFGSLineSearch: 8 18:03:32 -269.610852 0.000880 LBFGSLineSearch: 9 18:03:32 -269.610852 0.001427 LBFGSLineSearch: 10 18:03:33 -269.610852 0.000621 LBFGSLineSearch: 11 18:03:33 -269.610853 0.000140 LBFGSLineSearch: 12 18:03:33 -269.610853 0.000111 LBFGSLineSearch: 13 18:03:33 -269.610853 0.000085 LBFGSLineSearch: 14 18:03:33 -269.610853 0.000014 LBFGSLineSearch: 15 18:03:33 -269.610853 0.000011 LBFGSLineSearch: 16 18:03:34 -269.610853 0.000007 Minimization converged after 16 steps. Pressure: -98.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:03:41 -270.040000 0.030655 LBFGSLineSearch: 1 18:03:43 -270.040100 0.008603 LBFGSLineSearch: 2 18:03:46 -270.040103 0.006257 LBFGSLineSearch: 3 18:03:48 -270.040103 0.002970 LBFGSLineSearch: 4 18:03:49 -270.040104 0.001533 LBFGSLineSearch: 5 18:03:50 -270.040104 0.001302 LBFGSLineSearch: 6 18:03:50 -270.040104 0.000908 LBFGSLineSearch: 7 18:03:50 -270.040104 0.000826 LBFGSLineSearch: 8 18:03:51 -270.040104 0.000880 LBFGSLineSearch: 9 18:03:51 -270.040104 0.001442 LBFGSLineSearch: 10 18:03:51 -270.040104 0.000610 LBFGSLineSearch: 11 18:03:51 -270.040104 0.000143 LBFGSLineSearch: 12 18:03:51 -270.040104 0.000113 LBFGSLineSearch: 13 18:03:52 -270.040104 0.000084 LBFGSLineSearch: 14 18:03:52 -270.040104 0.000015 LBFGSLineSearch: 15 18:03:52 -270.040104 0.000011 LBFGSLineSearch: 16 18:03:52 -270.040104 0.000006 Minimization converged after 16 steps. Pressure: -98.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:03:59 -270.469461 0.030670 LBFGSLineSearch: 1 18:03:59 -270.469561 0.008631 LBFGSLineSearch: 2 18:03:59 -270.469564 0.006258 LBFGSLineSearch: 3 18:04:00 -270.469565 0.002966 LBFGSLineSearch: 4 18:04:00 -270.469565 0.001537 LBFGSLineSearch: 5 18:04:01 -270.469565 0.001306 LBFGSLineSearch: 6 18:04:01 -270.469565 0.000911 LBFGSLineSearch: 7 18:04:01 -270.469565 0.000830 LBFGSLineSearch: 8 18:04:01 -270.469566 0.000879 LBFGSLineSearch: 9 18:04:02 -270.469566 0.001450 LBFGSLineSearch: 10 18:04:02 -270.469566 0.000598 LBFGSLineSearch: 11 18:04:02 -270.469566 0.000149 LBFGSLineSearch: 12 18:04:03 -270.469566 0.000116 LBFGSLineSearch: 13 18:04:04 -270.469566 0.000075 LBFGSLineSearch: 14 18:04:04 -270.469566 0.000015 LBFGSLineSearch: 15 18:04:05 -270.469566 0.000011 LBFGSLineSearch: 16 18:04:05 -270.469566 0.000005 Minimization converged after 16 steps. Pressure: -99.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:04:11 -270.899133 0.030685 LBFGSLineSearch: 1 18:04:12 -270.899233 0.008660 LBFGSLineSearch: 2 18:04:12 -270.899236 0.006257 LBFGSLineSearch: 3 18:04:13 -270.899237 0.002961 LBFGSLineSearch: 4 18:04:13 -270.899237 0.001542 LBFGSLineSearch: 5 18:04:13 -270.899237 0.001311 LBFGSLineSearch: 6 18:04:13 -270.899237 0.000914 LBFGSLineSearch: 7 18:04:14 -270.899238 0.000835 LBFGSLineSearch: 8 18:04:14 -270.899238 0.000878 LBFGSLineSearch: 9 18:04:14 -270.899238 0.001466 LBFGSLineSearch: 10 18:04:15 -270.899238 0.000588 LBFGSLineSearch: 11 18:04:15 -270.899238 0.000154 LBFGSLineSearch: 12 18:04:15 -270.899238 0.000118 LBFGSLineSearch: 13 18:04:16 -270.899238 0.000074 LBFGSLineSearch: 14 18:04:16 -270.899238 0.000015 LBFGSLineSearch: 15 18:04:17 -270.899238 0.000011 LBFGSLineSearch: 16 18:04:18 -270.899238 0.000005 Minimization converged after 16 steps. Pressure: -99.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:04:23 -271.329016 0.030700 LBFGSLineSearch: 1 18:04:23 -271.329117 0.008674 LBFGSLineSearch: 2 18:04:24 -271.329120 0.006259 LBFGSLineSearch: 3 18:04:24 -271.329121 0.002956 LBFGSLineSearch: 4 18:04:24 -271.329121 0.001551 LBFGSLineSearch: 5 18:04:24 -271.329121 0.001314 LBFGSLineSearch: 6 18:04:24 -271.329121 0.000912 LBFGSLineSearch: 7 18:04:25 -271.329121 0.000840 LBFGSLineSearch: 8 18:04:27 -271.329122 0.000878 LBFGSLineSearch: 9 18:04:27 -271.329122 0.001476 LBFGSLineSearch: 10 18:04:29 -271.329122 0.000577 LBFGSLineSearch: 11 18:04:29 -271.329122 0.000177 LBFGSLineSearch: 12 18:04:30 -271.329122 0.000122 LBFGSLineSearch: 13 18:04:31 -271.329122 0.000076 LBFGSLineSearch: 14 18:04:32 -271.329122 0.000016 LBFGSLineSearch: 15 18:04:34 -271.329122 0.000011 LBFGSLineSearch: 16 18:04:35 -271.329122 0.000006 Minimization converged after 16 steps. Pressure: -100.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:04:40 -271.759112 0.030715 LBFGSLineSearch: 1 18:04:41 -271.759214 0.008668 LBFGSLineSearch: 2 18:04:41 -271.759217 0.006261 LBFGSLineSearch: 3 18:04:41 -271.759218 0.002948 LBFGSLineSearch: 4 18:04:42 -271.759218 0.001568 LBFGSLineSearch: 5 18:04:42 -271.759218 0.001316 LBFGSLineSearch: 6 18:04:42 -271.759218 0.000905 LBFGSLineSearch: 7 18:04:42 -271.759218 0.000844 LBFGSLineSearch: 8 18:04:43 -271.759218 0.000877 LBFGSLineSearch: 9 18:04:43 -271.759219 0.001490 LBFGSLineSearch: 10 18:04:43 -271.759219 0.000567 LBFGSLineSearch: 11 18:04:43 -271.759219 0.000189 LBFGSLineSearch: 12 18:04:43 -271.759219 0.000124 LBFGSLineSearch: 13 18:04:44 -271.759219 0.000079 LBFGSLineSearch: 14 18:04:44 -271.759219 0.000016 LBFGSLineSearch: 15 18:04:44 -271.759219 0.000012 LBFGSLineSearch: 16 18:04:45 -271.759219 0.000005 Minimization converged after 16 steps. Pressure: -100.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:04:49 -272.189422 0.030731 LBFGSLineSearch: 1 18:04:50 -272.189524 0.008663 LBFGSLineSearch: 2 18:04:50 -272.189528 0.006265 LBFGSLineSearch: 3 18:04:50 -272.189528 0.002940 LBFGSLineSearch: 4 18:04:51 -272.189529 0.001584 LBFGSLineSearch: 5 18:04:51 -272.189529 0.001318 LBFGSLineSearch: 6 18:04:51 -272.189529 0.000899 LBFGSLineSearch: 7 18:04:53 -272.189529 0.000848 LBFGSLineSearch: 8 18:04:54 -272.189529 0.000877 LBFGSLineSearch: 9 18:04:55 -272.189529 0.001506 LBFGSLineSearch: 10 18:04:56 -272.189530 0.000559 LBFGSLineSearch: 11 18:04:56 -272.189530 0.000188 LBFGSLineSearch: 12 18:04:57 -272.189530 0.000126 LBFGSLineSearch: 13 18:04:58 -272.189530 0.000081 LBFGSLineSearch: 14 18:04:59 -272.189530 0.000016 LBFGSLineSearch: 15 18:05:01 -272.189530 0.000012 LBFGSLineSearch: 16 18:05:02 -272.189530 0.000005 Minimization converged after 16 steps. Pressure: -101.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:05:06 -272.619948 0.030746 LBFGSLineSearch: 1 18:05:08 -272.620050 0.008659 LBFGSLineSearch: 2 18:05:09 -272.620053 0.006271 LBFGSLineSearch: 3 18:05:10 -272.620054 0.002932 LBFGSLineSearch: 4 18:05:11 -272.620054 0.001601 LBFGSLineSearch: 5 18:05:12 -272.620055 0.001320 LBFGSLineSearch: 6 18:05:13 -272.620055 0.000893 LBFGSLineSearch: 7 18:05:15 -272.620055 0.000851 LBFGSLineSearch: 8 18:05:16 -272.620055 0.000876 LBFGSLineSearch: 9 18:05:17 -272.620055 0.001513 LBFGSLineSearch: 10 18:05:17 -272.620055 0.000551 LBFGSLineSearch: 11 18:05:17 -272.620055 0.000216 LBFGSLineSearch: 12 18:05:18 -272.620055 0.000130 LBFGSLineSearch: 13 18:05:19 -272.620055 0.000084 LBFGSLineSearch: 14 18:05:21 -272.620055 0.000016 LBFGSLineSearch: 15 18:05:23 -272.620055 0.000012 LBFGSLineSearch: 16 18:05:25 -272.620055 0.000005 Minimization converged after 16 steps. Pressure: -101.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:05:30 -273.050689 0.030761 LBFGSLineSearch: 1 18:05:31 -273.050792 0.008655 LBFGSLineSearch: 2 18:05:31 -273.050795 0.006277 LBFGSLineSearch: 3 18:05:32 -273.050796 0.002924 LBFGSLineSearch: 4 18:05:33 -273.050796 0.001618 LBFGSLineSearch: 5 18:05:33 -273.050797 0.001322 LBFGSLineSearch: 6 18:05:34 -273.050797 0.000887 LBFGSLineSearch: 7 18:05:35 -273.050797 0.000855 LBFGSLineSearch: 8 18:05:36 -273.050797 0.000877 LBFGSLineSearch: 9 18:05:37 -273.050797 0.001534 LBFGSLineSearch: 10 18:05:37 -273.050797 0.000545 LBFGSLineSearch: 11 18:05:38 -273.050797 0.000203 LBFGSLineSearch: 12 18:05:39 -273.050797 0.000131 LBFGSLineSearch: 13 18:05:40 -273.050797 0.000086 LBFGSLineSearch: 14 18:05:42 -273.050797 0.000016 LBFGSLineSearch: 15 18:05:43 -273.050797 0.000012 LBFGSLineSearch: 16 18:05:44 -273.050797 0.000004 Minimization converged after 16 steps. Pressure: -102.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:05:50 -273.481648 0.030777 LBFGSLineSearch: 1 18:05:51 -273.481752 0.008651 LBFGSLineSearch: 2 18:05:51 -273.481755 0.006285 LBFGSLineSearch: 3 18:05:52 -273.481756 0.002915 LBFGSLineSearch: 4 18:05:53 -273.481756 0.001635 LBFGSLineSearch: 5 18:05:54 -273.481756 0.001324 LBFGSLineSearch: 6 18:05:55 -273.481756 0.000881 LBFGSLineSearch: 7 18:05:56 -273.481756 0.000861 LBFGSLineSearch: 8 18:05:57 -273.481756 0.000877 LBFGSLineSearch: 9 18:05:58 -273.481757 0.001540 LBFGSLineSearch: 10 18:05:59 -273.481757 0.000538 LBFGSLineSearch: 11 18:06:00 -273.481757 0.000240 LBFGSLineSearch: 12 18:06:02 -273.481757 0.000135 LBFGSLineSearch: 13 18:06:03 -273.481757 0.000088 LBFGSLineSearch: 14 18:06:04 -273.481757 0.000017 LBFGSLineSearch: 15 18:06:06 -273.481757 0.000012 LBFGSLineSearch: 16 18:06:06 -273.481757 0.000004 Minimization converged after 16 steps. Pressure: -102.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:06:14 -273.912825 0.030792 LBFGSLineSearch: 1 18:06:17 -273.912930 0.008647 LBFGSLineSearch: 2 18:06:19 -273.912933 0.006294 LBFGSLineSearch: 3 18:06:20 -273.912934 0.002905 LBFGSLineSearch: 4 18:06:21 -273.912934 0.001651 LBFGSLineSearch: 5 18:06:22 -273.912934 0.001326 LBFGSLineSearch: 6 18:06:23 -273.912934 0.000876 LBFGSLineSearch: 7 18:06:24 -273.912934 0.000868 LBFGSLineSearch: 8 18:06:25 -273.912934 0.000878 LBFGSLineSearch: 9 18:06:26 -273.912935 0.001552 LBFGSLineSearch: 10 18:06:28 -273.912935 0.000533 LBFGSLineSearch: 11 18:06:29 -273.912935 0.000254 LBFGSLineSearch: 12 18:06:31 -273.912935 0.000137 LBFGSLineSearch: 13 18:06:31 -273.912935 0.000091 LBFGSLineSearch: 14 18:06:32 -273.912935 0.000017 LBFGSLineSearch: 15 18:06:32 -273.912935 0.000013 LBFGSLineSearch: 16 18:06:33 -273.912935 0.000004 Minimization converged after 16 steps. Pressure: -103.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:06:40 -274.344223 0.030808 LBFGSLineSearch: 1 18:06:42 -274.344327 0.008646 LBFGSLineSearch: 2 18:06:42 -274.344331 0.006302 LBFGSLineSearch: 3 18:06:43 -274.344332 0.002894 LBFGSLineSearch: 4 18:06:44 -274.344332 0.001668 LBFGSLineSearch: 5 18:06:45 -274.344332 0.001328 LBFGSLineSearch: 6 18:06:45 -274.344332 0.000871 LBFGSLineSearch: 7 18:06:46 -274.344332 0.000875 LBFGSLineSearch: 8 18:06:48 -274.344332 0.000880 LBFGSLineSearch: 9 18:06:49 -274.344332 0.001570 LBFGSLineSearch: 10 18:06:49 -274.344333 0.000528 LBFGSLineSearch: 11 18:06:50 -274.344333 0.000255 LBFGSLineSearch: 12 18:06:51 -274.344333 0.000139 LBFGSLineSearch: 13 18:06:53 -274.344333 0.000093 LBFGSLineSearch: 14 18:06:53 -274.344333 0.000018 LBFGSLineSearch: 15 18:06:54 -274.344333 0.000013 LBFGSLineSearch: 16 18:06:55 -274.344333 0.000003 Minimization converged after 16 steps. Pressure: -103.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:07:02 -274.775841 0.030823 LBFGSLineSearch: 1 18:07:04 -274.775946 0.008642 LBFGSLineSearch: 2 18:07:04 -274.775950 0.006311 LBFGSLineSearch: 3 18:07:04 -274.775950 0.002883 LBFGSLineSearch: 4 18:07:05 -274.775951 0.001684 LBFGSLineSearch: 5 18:07:05 -274.775951 0.001329 LBFGSLineSearch: 6 18:07:06 -274.775951 0.000867 LBFGSLineSearch: 7 18:07:07 -274.775951 0.000882 LBFGSLineSearch: 8 18:07:07 -274.775951 0.000881 LBFGSLineSearch: 9 18:07:08 -274.775951 0.001578 LBFGSLineSearch: 10 18:07:09 -274.775952 0.000524 LBFGSLineSearch: 11 18:07:10 -274.775952 0.000160 LBFGSLineSearch: 12 18:07:10 -274.775952 0.000130 LBFGSLineSearch: 13 18:07:12 -274.775952 0.000102 LBFGSLineSearch: 14 18:07:13 -274.775952 0.000015 LBFGSLineSearch: 15 18:07:13 -274.775952 0.000013 LBFGSLineSearch: 16 18:07:14 -274.775952 0.000002 Minimization converged after 16 steps. Pressure: -104.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:07:21 -275.207681 0.030839 LBFGSLineSearch: 1 18:07:21 -275.207787 0.008633 LBFGSLineSearch: 2 18:07:21 -275.207791 0.006312 LBFGSLineSearch: 3 18:07:21 -275.207791 0.002869 LBFGSLineSearch: 4 18:07:21 -275.207792 0.001701 LBFGSLineSearch: 5 18:07:21 -275.207792 0.001331 LBFGSLineSearch: 6 18:07:22 -275.207792 0.000863 LBFGSLineSearch: 7 18:07:22 -275.207792 0.000888 LBFGSLineSearch: 8 18:07:22 -275.207792 0.000882 LBFGSLineSearch: 9 18:07:22 -275.207792 0.001596 LBFGSLineSearch: 10 18:07:22 -275.207793 0.003788 LBFGSLineSearch: 11 18:07:22 -275.207794 0.003667 LBFGSLineSearch: 12 18:07:23 -275.207795 0.002193 LBFGSLineSearch: 13 18:07:23 -275.207795 0.001906 LBFGSLineSearch: 14 18:07:23 -275.207795 0.000531 LBFGSLineSearch: 15 18:07:23 -275.207795 0.000307 LBFGSLineSearch: 16 18:07:23 -275.207795 0.000264 LBFGSLineSearch: 17 18:07:23 -275.207796 0.000198 LBFGSLineSearch: 18 18:07:24 -275.207796 0.000116 LBFGSLineSearch: 19 18:07:24 -275.207796 0.000009 Minimization converged after 19 steps. Pressure: -104.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:07:31 -275.639760 0.030860 LBFGSLineSearch: 1 18:07:32 -275.639866 0.008634 LBFGSLineSearch: 2 18:07:33 -275.639870 0.006346 LBFGSLineSearch: 3 18:07:35 -275.639871 0.002865 LBFGSLineSearch: 4 18:07:36 -275.639871 0.001715 LBFGSLineSearch: 5 18:07:37 -275.639871 0.001332 LBFGSLineSearch: 6 18:07:38 -275.639871 0.000860 LBFGSLineSearch: 7 18:07:40 -275.639871 0.000898 LBFGSLineSearch: 8 18:07:42 -275.639871 0.000888 LBFGSLineSearch: 9 18:07:44 -275.639872 0.001602 LBFGSLineSearch: 10 18:07:45 -275.639872 0.000519 LBFGSLineSearch: 11 18:07:45 -275.639872 0.000158 LBFGSLineSearch: 12 18:07:46 -275.639872 0.000130 LBFGSLineSearch: 13 18:07:46 -275.639872 0.000097 LBFGSLineSearch: 14 18:07:47 -275.639872 0.000015 LBFGSLineSearch: 15 18:07:47 -275.639872 0.000012 LBFGSLineSearch: 16 18:07:47 -275.639872 0.000002 Minimization converged after 16 steps. Pressure: -105.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:07:54 -276.072060 0.030872 LBFGSLineSearch: 1 18:07:55 -276.072170 0.008628 LBFGSLineSearch: 2 18:07:56 -276.072177 0.005316 LBFGSLineSearch: 3 18:07:56 -276.072178 0.004495 LBFGSLineSearch: 4 18:07:57 -276.072178 0.003953 LBFGSLineSearch: 5 18:07:57 -276.072179 0.003251 LBFGSLineSearch: 6 18:07:57 -276.072181 0.004732 LBFGSLineSearch: 7 18:07:58 -276.072182 0.003056 LBFGSLineSearch: 8 18:07:58 -276.072184 0.002144 LBFGSLineSearch: 9 18:07:59 -276.072184 0.001881 LBFGSLineSearch: 10 18:07:59 -276.072186 0.002101 LBFGSLineSearch: 11 18:08:00 -276.072186 0.001923 LBFGSLineSearch: 12 18:08:01 -276.072186 0.001481 LBFGSLineSearch: 13 18:08:01 -276.072186 0.000270 LBFGSLineSearch: 14 18:08:02 -276.072186 0.000086 LBFGSLineSearch: 15 18:08:02 -276.072186 0.000050 LBFGSLineSearch: 16 18:08:03 -276.072186 0.000018 LBFGSLineSearch: 17 18:08:04 -276.072186 0.000001 Minimization converged after 17 steps. Pressure: -105.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:08:11 -276.504616 0.030888 LBFGSLineSearch: 1 18:08:12 -276.504723 0.008629 LBFGSLineSearch: 2 18:08:12 -276.504727 0.006349 LBFGSLineSearch: 3 18:08:13 -276.504728 0.002828 LBFGSLineSearch: 4 18:08:13 -276.504728 0.002006 LBFGSLineSearch: 5 18:08:14 -276.504728 0.001333 LBFGSLineSearch: 6 18:08:14 -276.504728 0.001011 LBFGSLineSearch: 7 18:08:14 -276.504729 0.000984 LBFGSLineSearch: 8 18:08:15 -276.504729 0.001022 LBFGSLineSearch: 9 18:08:16 -276.504729 0.001280 LBFGSLineSearch: 10 18:08:17 -276.504729 0.001079 LBFGSLineSearch: 11 18:08:17 -276.504729 0.000185 LBFGSLineSearch: 12 18:08:17 -276.504729 0.000145 LBFGSLineSearch: 13 18:08:18 -276.504729 0.000131 LBFGSLineSearch: 14 18:08:19 -276.504729 0.000067 LBFGSLineSearch: 15 18:08:20 -276.504729 0.000013 LBFGSLineSearch: 16 18:08:21 -276.504729 0.000010 LBFGSLineSearch: 17 18:08:21 -276.504729 0.000002 Minimization converged after 17 steps. Pressure: -106.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:08:29 -276.937386 0.030904 LBFGSLineSearch: 1 18:08:29 -276.937493 0.008624 LBFGSLineSearch: 2 18:08:31 -276.937497 0.006342 LBFGSLineSearch: 3 18:08:31 -276.937498 0.002807 LBFGSLineSearch: 4 18:08:31 -276.937498 0.001995 LBFGSLineSearch: 5 18:08:31 -276.937499 0.001335 LBFGSLineSearch: 6 18:08:31 -276.937499 0.001009 LBFGSLineSearch: 7 18:08:32 -276.937499 0.000978 LBFGSLineSearch: 8 18:08:33 -276.937499 0.001021 LBFGSLineSearch: 9 18:08:35 -276.937499 0.001293 LBFGSLineSearch: 10 18:08:36 -276.937499 0.001059 LBFGSLineSearch: 11 18:08:36 -276.937499 0.000181 LBFGSLineSearch: 12 18:08:36 -276.937499 0.000147 LBFGSLineSearch: 13 18:08:37 -276.937499 0.000130 LBFGSLineSearch: 14 18:08:37 -276.937499 0.000065 LBFGSLineSearch: 15 18:08:37 -276.937499 0.000013 LBFGSLineSearch: 16 18:08:37 -276.937499 0.000010 Minimization converged after 16 steps. Pressure: -106.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:08:42 -277.370384 0.030923 LBFGSLineSearch: 1 18:08:43 -277.370492 0.008637 LBFGSLineSearch: 2 18:08:44 -277.370496 0.006383 LBFGSLineSearch: 3 18:08:44 -277.370497 0.002805 LBFGSLineSearch: 4 18:08:45 -277.370497 0.001979 LBFGSLineSearch: 5 18:08:45 -277.370497 0.001337 LBFGSLineSearch: 6 18:08:45 -277.370497 0.001006 LBFGSLineSearch: 7 18:08:45 -277.370497 0.000972 LBFGSLineSearch: 8 18:08:46 -277.370498 0.001029 LBFGSLineSearch: 9 18:08:47 -277.370498 0.001297 LBFGSLineSearch: 10 18:08:47 -277.370498 0.001052 LBFGSLineSearch: 11 18:08:48 -277.370498 0.000183 LBFGSLineSearch: 12 18:08:48 -277.370498 0.000150 LBFGSLineSearch: 13 18:08:49 -277.370498 0.000129 LBFGSLineSearch: 14 18:08:49 -277.370498 0.000064 LBFGSLineSearch: 15 18:08:50 -277.370498 0.000014 LBFGSLineSearch: 16 18:08:51 -277.370498 0.000011 LBFGSLineSearch: 17 18:08:52 -277.370498 0.000003 Minimization converged after 17 steps. Pressure: -107.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:08:59 -277.803612 0.030937 LBFGSLineSearch: 1 18:09:00 -277.803721 0.008617 LBFGSLineSearch: 2 18:09:01 -277.803725 0.006358 LBFGSLineSearch: 3 18:09:02 -277.803726 0.002774 LBFGSLineSearch: 4 18:09:03 -277.803726 0.001968 LBFGSLineSearch: 5 18:09:04 -277.803726 0.001339 LBFGSLineSearch: 6 18:09:04 -277.803726 0.001005 LBFGSLineSearch: 7 18:09:04 -277.803726 0.000966 LBFGSLineSearch: 8 18:09:04 -277.803726 0.001023 LBFGSLineSearch: 9 18:09:05 -277.803726 0.001317 LBFGSLineSearch: 10 18:09:05 -277.803727 0.001024 LBFGSLineSearch: 11 18:09:05 -277.803727 0.000175 LBFGSLineSearch: 12 18:09:06 -277.803727 0.000152 LBFGSLineSearch: 13 18:09:06 -277.803727 0.000129 LBFGSLineSearch: 14 18:09:07 -277.803727 0.000064 LBFGSLineSearch: 15 18:09:07 -277.803727 0.000013 LBFGSLineSearch: 16 18:09:07 -277.803727 0.000009 Minimization converged after 16 steps. Pressure: -107.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:09:12 -278.237071 0.030955 LBFGSLineSearch: 1 18:09:13 -278.237182 0.008633 LBFGSLineSearch: 2 18:09:14 -278.237187 0.005824 LBFGSLineSearch: 3 18:09:15 -278.237187 0.002597 LBFGSLineSearch: 4 18:09:16 -278.237188 0.001210 LBFGSLineSearch: 5 18:09:16 -278.237188 0.000806 LBFGSLineSearch: 6 18:09:18 -278.237188 0.000551 LBFGSLineSearch: 7 18:09:20 -278.237188 0.000324 LBFGSLineSearch: 8 18:09:22 -278.237188 0.000156 LBFGSLineSearch: 9 18:09:23 -278.237188 0.000121 LBFGSLineSearch: 10 18:09:24 -278.237188 0.000062 LBFGSLineSearch: 11 18:09:25 -278.237188 0.000014 LBFGSLineSearch: 12 18:09:26 -278.237188 0.000013 LBFGSLineSearch: 13 18:09:27 -278.237188 0.000009 Minimization converged after 13 steps. Pressure: -108.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:09:34 -278.670767 0.030979 LBFGSLineSearch: 1 18:09:35 -278.670877 0.008598 LBFGSLineSearch: 2 18:09:35 -278.670881 0.006404 LBFGSLineSearch: 3 18:09:36 -278.670882 0.002747 LBFGSLineSearch: 4 18:09:37 -278.670882 0.001933 LBFGSLineSearch: 5 18:09:38 -278.670883 0.001349 LBFGSLineSearch: 6 18:09:39 -278.670883 0.001004 LBFGSLineSearch: 7 18:09:40 -278.670883 0.000963 LBFGSLineSearch: 8 18:09:40 -278.670883 0.001043 LBFGSLineSearch: 9 18:09:41 -278.670883 0.001345 LBFGSLineSearch: 10 18:09:41 -278.670883 0.000990 LBFGSLineSearch: 11 18:09:42 -278.670883 0.000170 LBFGSLineSearch: 12 18:09:44 -278.670883 0.000156 LBFGSLineSearch: 13 18:09:45 -278.670883 0.000129 LBFGSLineSearch: 14 18:09:46 -278.670883 0.000068 LBFGSLineSearch: 15 18:09:47 -278.670883 0.000015 LBFGSLineSearch: 16 18:09:48 -278.670883 0.000009 Minimization converged after 16 steps. Pressure: -108.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:09:57 -279.104696 0.030989 LBFGSLineSearch: 1 18:09:57 -279.104806 0.008631 LBFGSLineSearch: 2 18:09:58 -279.104811 0.006394 LBFGSLineSearch: 3 18:09:59 -279.104812 0.002730 LBFGSLineSearch: 4 18:09:59 -279.104812 0.001938 LBFGSLineSearch: 5 18:10:00 -279.104812 0.001345 LBFGSLineSearch: 6 18:10:00 -279.104812 0.001000 LBFGSLineSearch: 7 18:10:00 -279.104812 0.000947 LBFGSLineSearch: 8 18:10:00 -279.104813 0.001032 LBFGSLineSearch: 9 18:10:00 -279.104813 0.001345 LBFGSLineSearch: 10 18:10:00 -279.104813 0.000972 LBFGSLineSearch: 11 18:10:01 -279.104813 0.000172 LBFGSLineSearch: 12 18:10:01 -279.104813 0.000161 LBFGSLineSearch: 13 18:10:03 -279.104813 0.000130 LBFGSLineSearch: 14 18:10:04 -279.104813 0.000072 LBFGSLineSearch: 15 18:10:04 -279.104813 0.000016 LBFGSLineSearch: 16 18:10:05 -279.104813 0.000010 Minimization converged after 16 steps. Pressure: -109.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:10:13 -279.538860 0.031006 LBFGSLineSearch: 1 18:10:14 -279.538974 0.008630 LBFGSLineSearch: 2 18:10:14 -279.538979 0.006449 LBFGSLineSearch: 3 18:10:15 -279.538980 0.002797 LBFGSLineSearch: 4 18:10:15 -279.538980 0.001871 LBFGSLineSearch: 5 18:10:16 -279.538980 0.001308 LBFGSLineSearch: 6 18:10:17 -279.538980 0.000942 LBFGSLineSearch: 7 18:10:17 -279.538980 0.001024 LBFGSLineSearch: 8 18:10:18 -279.538981 0.000988 LBFGSLineSearch: 9 18:10:18 -279.538981 0.001318 LBFGSLineSearch: 10 18:10:18 -279.538981 0.000816 LBFGSLineSearch: 11 18:10:18 -279.538981 0.000571 LBFGSLineSearch: 12 18:10:18 -279.538981 0.000471 LBFGSLineSearch: 13 18:10:20 -279.538981 0.000620 LBFGSLineSearch: 14 18:10:21 -279.538981 0.000263 LBFGSLineSearch: 15 18:10:21 -279.538981 0.000082 LBFGSLineSearch: 16 18:10:22 -279.538981 0.000022 LBFGSLineSearch: 17 18:10:22 -279.538981 0.000017 LBFGSLineSearch: 18 18:10:23 -279.538981 0.000005 Minimization converged after 18 steps. Pressure: -109.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:10:31 -279.973269 0.031020 LBFGSLineSearch: 1 18:10:34 -279.973389 0.008896 LBFGSLineSearch: 2 18:10:36 -279.973396 0.007455 LBFGSLineSearch: 3 18:10:38 -279.973398 0.005028 LBFGSLineSearch: 4 18:10:39 -279.973399 0.003065 LBFGSLineSearch: 5 18:10:39 -279.973399 0.002242 LBFGSLineSearch: 6 18:10:40 -279.973399 0.002461 LBFGSLineSearch: 7 18:10:41 -279.973400 0.001971 LBFGSLineSearch: 8 18:10:42 -279.973400 0.001500 LBFGSLineSearch: 9 18:10:43 -279.973401 0.002095 LBFGSLineSearch: 10 18:10:44 -279.973402 0.000785 LBFGSLineSearch: 11 18:10:44 -279.973402 0.000363 LBFGSLineSearch: 12 18:10:45 -279.973402 0.000299 LBFGSLineSearch: 13 18:10:45 -279.973402 0.000156 LBFGSLineSearch: 14 18:10:45 -279.973402 0.000105 LBFGSLineSearch: 15 18:10:45 -279.973402 0.000054 LBFGSLineSearch: 16 18:10:46 -279.973402 0.000039 LBFGSLineSearch: 17 18:10:47 -279.973402 0.000005 Minimization converged after 17 steps. Pressure: -110.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:10:55 -280.407942 0.031041 LBFGSLineSearch: 1 18:10:58 -280.408054 0.008575 LBFGSLineSearch: 2 18:11:00 -280.408060 0.006687 LBFGSLineSearch: 3 18:11:04 -280.408061 0.003262 LBFGSLineSearch: 4 18:11:07 -280.408061 0.002057 LBFGSLineSearch: 5 18:11:09 -280.408062 0.000905 LBFGSLineSearch: 6 18:11:10 -280.408062 0.000808 LBFGSLineSearch: 7 18:11:11 -280.408062 0.000633 LBFGSLineSearch: 8 18:11:11 -280.408062 0.000409 LBFGSLineSearch: 9 18:11:11 -280.408062 0.000421 LBFGSLineSearch: 10 18:11:12 -280.408062 0.000664 LBFGSLineSearch: 11 18:11:13 -280.408062 0.000377 LBFGSLineSearch: 12 18:11:13 -280.408062 0.000312 LBFGSLineSearch: 13 18:11:13 -280.408062 0.000286 LBFGSLineSearch: 14 18:11:14 -280.408062 0.000111 LBFGSLineSearch: 15 18:11:14 -280.408062 0.000091 LBFGSLineSearch: 16 18:11:14 -280.408062 0.000070 LBFGSLineSearch: 17 18:11:14 -280.408062 0.000010 LBFGSLineSearch: 18 18:11:15 -280.408062 0.000000 Minimization converged after 18 steps. Pressure: -110.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:11:21 -280.842846 0.031056 LBFGSLineSearch: 1 18:11:22 -280.842961 0.007888 LBFGSLineSearch: 2 18:11:22 -280.842966 0.005890 LBFGSLineSearch: 3 18:11:22 -280.842967 0.002300 LBFGSLineSearch: 4 18:11:22 -280.842968 0.001973 LBFGSLineSearch: 5 18:11:24 -280.842968 0.001275 LBFGSLineSearch: 6 18:11:26 -280.842968 0.000962 LBFGSLineSearch: 7 18:11:27 -280.842968 0.000762 LBFGSLineSearch: 8 18:11:27 -280.842968 0.000692 LBFGSLineSearch: 9 18:11:29 -280.842968 0.001206 LBFGSLineSearch: 10 18:11:29 -280.842968 0.000717 LBFGSLineSearch: 11 18:11:29 -280.842968 0.000441 LBFGSLineSearch: 12 18:11:30 -280.842969 0.000569 LBFGSLineSearch: 13 18:11:30 -280.842969 0.000111 LBFGSLineSearch: 14 18:11:32 -280.842969 0.000078 LBFGSLineSearch: 15 18:11:32 -280.842969 0.000052 LBFGSLineSearch: 16 18:11:33 -280.842969 0.000028 LBFGSLineSearch: 17 18:11:35 -280.842969 0.000001 Minimization converged after 17 steps. Pressure: -111.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:11:40 -281.277997 0.031074 LBFGSLineSearch: 1 18:11:41 -281.278112 0.009552 LBFGSLineSearch: 2 18:11:42 -281.278119 0.006999 LBFGSLineSearch: 3 18:11:43 -281.278120 0.002656 LBFGSLineSearch: 4 18:11:44 -281.278120 0.001859 LBFGSLineSearch: 5 18:11:45 -281.278120 0.001130 LBFGSLineSearch: 6 18:11:46 -281.278121 0.000894 LBFGSLineSearch: 7 18:11:46 -281.278121 0.000857 LBFGSLineSearch: 8 18:11:47 -281.278121 0.000946 LBFGSLineSearch: 9 18:11:49 -281.278121 0.001254 LBFGSLineSearch: 10 18:11:51 -281.278121 0.000613 LBFGSLineSearch: 11 18:11:51 -281.278121 0.000339 LBFGSLineSearch: 12 18:11:51 -281.278121 0.000248 LBFGSLineSearch: 13 18:11:51 -281.278121 0.000232 LBFGSLineSearch: 14 18:11:51 -281.278121 0.000103 LBFGSLineSearch: 15 18:11:52 -281.278121 0.000048 LBFGSLineSearch: 16 18:11:53 -281.278121 0.000046 LBFGSLineSearch: 17 18:11:53 -281.278121 0.000008 Minimization converged after 17 steps. Pressure: -111.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:11:58 -281.713398 0.031092 LBFGSLineSearch: 1 18:11:59 -281.713512 0.008595 LBFGSLineSearch: 2 18:11:59 -281.713517 0.006493 LBFGSLineSearch: 3 18:12:00 -281.713518 0.002621 LBFGSLineSearch: 4 18:12:00 -281.713518 0.001874 LBFGSLineSearch: 5 18:12:00 -281.713518 0.001354 LBFGSLineSearch: 6 18:12:01 -281.713518 0.000989 LBFGSLineSearch: 7 18:12:02 -281.713519 0.000965 LBFGSLineSearch: 8 18:12:02 -281.713519 0.001041 LBFGSLineSearch: 9 18:12:03 -281.713519 0.001427 LBFGSLineSearch: 10 18:12:03 -281.713519 0.000825 LBFGSLineSearch: 11 18:12:03 -281.713519 0.000182 LBFGSLineSearch: 12 18:12:03 -281.713519 0.000178 LBFGSLineSearch: 13 18:12:03 -281.713519 0.000202 LBFGSLineSearch: 14 18:12:03 -281.713519 0.000059 LBFGSLineSearch: 15 18:12:04 -281.713519 0.000017 LBFGSLineSearch: 16 18:12:04 -281.713519 0.000010 LBFGSLineSearch: 17 18:12:04 -281.713519 0.000003 Minimization converged after 17 steps. Pressure: -112.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:12:10 -282.149039 0.031110 LBFGSLineSearch: 1 18:12:12 -282.149155 0.008578 LBFGSLineSearch: 2 18:12:14 -282.149162 0.006634 LBFGSLineSearch: 3 18:12:16 -282.149163 0.002897 LBFGSLineSearch: 4 18:12:16 -282.149164 0.001991 LBFGSLineSearch: 5 18:12:16 -282.149164 0.001544 LBFGSLineSearch: 6 18:12:17 -282.149164 0.001213 LBFGSLineSearch: 7 18:12:17 -282.149164 0.000714 LBFGSLineSearch: 8 18:12:17 -282.149164 0.000524 LBFGSLineSearch: 9 18:12:17 -282.149164 0.000399 LBFGSLineSearch: 10 18:12:18 -282.149164 0.000475 LBFGSLineSearch: 11 18:12:19 -282.149164 0.000409 LBFGSLineSearch: 12 18:12:20 -282.149164 0.000442 LBFGSLineSearch: 13 18:12:21 -282.149164 0.000324 LBFGSLineSearch: 14 18:12:22 -282.149164 0.000131 LBFGSLineSearch: 15 18:12:24 -282.149164 0.000080 LBFGSLineSearch: 16 18:12:24 -282.149164 0.000071 LBFGSLineSearch: 17 18:12:24 -282.149164 0.000038 LBFGSLineSearch: 18 18:12:24 -282.149164 0.000003 Minimization converged after 18 steps. Pressure: -112.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:12:30 -282.584940 0.031128 LBFGSLineSearch: 1 18:12:31 -282.585055 0.008586 LBFGSLineSearch: 2 18:12:33 -282.585061 0.006511 LBFGSLineSearch: 3 18:12:33 -282.585062 0.002584 LBFGSLineSearch: 4 18:12:33 -282.585062 0.001899 LBFGSLineSearch: 5 18:12:34 -282.585062 0.001360 LBFGSLineSearch: 6 18:12:34 -282.585062 0.000991 LBFGSLineSearch: 7 18:12:34 -282.585063 0.000975 LBFGSLineSearch: 8 18:12:34 -282.585063 0.001050 LBFGSLineSearch: 9 18:12:34 -282.585063 0.001447 LBFGSLineSearch: 10 18:12:35 -282.585063 0.000785 LBFGSLineSearch: 11 18:12:36 -282.585063 0.000187 LBFGSLineSearch: 12 18:12:37 -282.585063 0.000184 LBFGSLineSearch: 13 18:12:38 -282.585063 0.000188 LBFGSLineSearch: 14 18:12:39 -282.585063 0.000071 LBFGSLineSearch: 15 18:12:39 -282.585063 0.000017 LBFGSLineSearch: 16 18:12:39 -282.585063 0.000011 LBFGSLineSearch: 17 18:12:39 -282.585063 0.000004 Minimization converged after 17 steps. Pressure: -113.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:12:45 -283.021086 0.031146 LBFGSLineSearch: 1 18:12:46 -283.021201 0.008576 LBFGSLineSearch: 2 18:12:47 -283.021207 0.006526 LBFGSLineSearch: 3 18:12:48 -283.021208 0.002567 LBFGSLineSearch: 4 18:12:48 -283.021209 0.001910 LBFGSLineSearch: 5 18:12:48 -283.021209 0.001362 LBFGSLineSearch: 6 18:12:49 -283.021209 0.000991 LBFGSLineSearch: 7 18:12:50 -283.021209 0.000978 LBFGSLineSearch: 8 18:12:51 -283.021209 0.001054 LBFGSLineSearch: 9 18:12:53 -283.021209 0.001460 LBFGSLineSearch: 10 18:12:54 -283.021210 0.000764 LBFGSLineSearch: 11 18:12:54 -283.021210 0.000190 LBFGSLineSearch: 12 18:12:55 -283.021210 0.000186 LBFGSLineSearch: 13 18:12:55 -283.021210 0.000185 LBFGSLineSearch: 14 18:12:56 -283.021210 0.000075 LBFGSLineSearch: 15 18:12:56 -283.021210 0.000017 LBFGSLineSearch: 16 18:12:57 -283.021210 0.000012 LBFGSLineSearch: 17 18:12:58 -283.021210 0.000005 Minimization converged after 17 steps. Pressure: -113.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:13:04 -283.457480 0.031164 LBFGSLineSearch: 1 18:13:05 -283.457596 0.008574 LBFGSLineSearch: 2 18:13:05 -283.457603 0.006541 LBFGSLineSearch: 3 18:13:05 -283.457603 0.002550 LBFGSLineSearch: 4 18:13:06 -283.457604 0.001921 LBFGSLineSearch: 5 18:13:06 -283.457604 0.001364 LBFGSLineSearch: 6 18:13:06 -283.457604 0.000992 LBFGSLineSearch: 7 18:13:07 -283.457604 0.000981 LBFGSLineSearch: 8 18:13:11 -283.457604 0.001058 LBFGSLineSearch: 9 18:13:13 -283.457605 0.001469 LBFGSLineSearch: 10 18:13:16 -283.457605 0.000749 LBFGSLineSearch: 11 18:13:16 -283.457605 0.000192 LBFGSLineSearch: 12 18:13:18 -283.457605 0.000189 LBFGSLineSearch: 13 18:13:18 -283.457605 0.000180 LBFGSLineSearch: 14 18:13:19 -283.457605 0.000080 LBFGSLineSearch: 15 18:13:19 -283.457605 0.000018 LBFGSLineSearch: 16 18:13:19 -283.457605 0.000012 LBFGSLineSearch: 17 18:13:19 -283.457605 0.000005 Minimization converged after 17 steps. Pressure: -114.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:13:25 -283.894125 0.031182 LBFGSLineSearch: 1 18:13:25 -283.894242 0.008573 LBFGSLineSearch: 2 18:13:26 -283.894248 0.006556 LBFGSLineSearch: 3 18:13:27 -283.894249 0.002533 LBFGSLineSearch: 4 18:13:29 -283.894250 0.001932 LBFGSLineSearch: 5 18:13:30 -283.894250 0.001367 LBFGSLineSearch: 6 18:13:31 -283.894250 0.000994 LBFGSLineSearch: 7 18:13:31 -283.894250 0.000982 LBFGSLineSearch: 8 18:13:33 -283.894250 0.001061 LBFGSLineSearch: 9 18:13:34 -283.894250 0.001477 LBFGSLineSearch: 10 18:13:34 -283.894251 0.000734 LBFGSLineSearch: 11 18:13:34 -283.894251 0.000195 LBFGSLineSearch: 12 18:13:34 -283.894251 0.000192 LBFGSLineSearch: 13 18:13:35 -283.894251 0.000176 LBFGSLineSearch: 14 18:13:35 -283.894251 0.000085 LBFGSLineSearch: 15 18:13:35 -283.894251 0.000018 LBFGSLineSearch: 16 18:13:35 -283.894251 0.000013 LBFGSLineSearch: 17 18:13:36 -283.894251 0.000005 Minimization converged after 17 steps. Pressure: -114.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:13:42 -284.331022 0.031200 LBFGSLineSearch: 1 18:13:43 -284.331140 0.008573 LBFGSLineSearch: 2 18:13:44 -284.331146 0.006571 LBFGSLineSearch: 3 18:13:45 -284.331147 0.002516 LBFGSLineSearch: 4 18:13:47 -284.331148 0.001942 LBFGSLineSearch: 5 18:13:47 -284.331148 0.001369 LBFGSLineSearch: 6 18:13:48 -284.331148 0.000995 LBFGSLineSearch: 7 18:13:50 -284.331148 0.000984 LBFGSLineSearch: 8 18:13:53 -284.331148 0.001065 LBFGSLineSearch: 9 18:13:54 -284.331148 0.001486 LBFGSLineSearch: 10 18:13:56 -284.331149 0.000718 LBFGSLineSearch: 11 18:13:57 -284.331149 0.000197 LBFGSLineSearch: 12 18:13:58 -284.331149 0.000195 LBFGSLineSearch: 13 18:13:59 -284.331149 0.000170 LBFGSLineSearch: 14 18:13:59 -284.331149 0.000090 LBFGSLineSearch: 15 18:14:00 -284.331149 0.000019 LBFGSLineSearch: 16 18:14:01 -284.331149 0.000013 LBFGSLineSearch: 17 18:14:01 -284.331149 0.000005 Minimization converged after 17 steps. Pressure: -115.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:14:07 -284.768173 0.031218 LBFGSLineSearch: 1 18:14:08 -284.768291 0.008574 LBFGSLineSearch: 2 18:14:09 -284.768298 0.006588 LBFGSLineSearch: 3 18:14:10 -284.768299 0.002499 LBFGSLineSearch: 4 18:14:11 -284.768299 0.001953 LBFGSLineSearch: 5 18:14:12 -284.768299 0.001372 LBFGSLineSearch: 6 18:14:13 -284.768300 0.000998 LBFGSLineSearch: 7 18:14:14 -284.768300 0.000985 LBFGSLineSearch: 8 18:14:16 -284.768300 0.001069 LBFGSLineSearch: 9 18:14:18 -284.768300 0.001494 LBFGSLineSearch: 10 18:14:20 -284.768300 0.000705 LBFGSLineSearch: 11 18:14:21 -284.768300 0.000200 LBFGSLineSearch: 12 18:14:22 -284.768300 0.000198 LBFGSLineSearch: 13 18:14:22 -284.768300 0.000165 LBFGSLineSearch: 14 18:14:22 -284.768300 0.000094 LBFGSLineSearch: 15 18:14:23 -284.768300 0.000019 LBFGSLineSearch: 16 18:14:24 -284.768300 0.000014 LBFGSLineSearch: 17 18:14:25 -284.768300 0.000004 Minimization converged after 17 steps. Pressure: -115.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:14:31 -285.205580 0.031236 LBFGSLineSearch: 1 18:14:32 -285.205698 0.008574 LBFGSLineSearch: 2 18:14:33 -285.205705 0.006605 LBFGSLineSearch: 3 18:14:34 -285.205706 0.002484 LBFGSLineSearch: 4 18:14:34 -285.205706 0.001964 LBFGSLineSearch: 5 18:14:36 -285.205707 0.001375 LBFGSLineSearch: 6 18:14:37 -285.205707 0.001000 LBFGSLineSearch: 7 18:14:38 -285.205707 0.000985 LBFGSLineSearch: 8 18:14:39 -285.205707 0.001072 LBFGSLineSearch: 9 18:14:40 -285.205707 0.001501 LBFGSLineSearch: 10 18:14:41 -285.205708 0.000691 LBFGSLineSearch: 11 18:14:42 -285.205708 0.000203 LBFGSLineSearch: 12 18:14:42 -285.205708 0.000200 LBFGSLineSearch: 13 18:14:43 -285.205708 0.000159 LBFGSLineSearch: 14 18:14:44 -285.205708 0.000096 LBFGSLineSearch: 15 18:14:45 -285.205708 0.000019 LBFGSLineSearch: 16 18:14:46 -285.205708 0.000014 LBFGSLineSearch: 17 18:14:48 -285.205708 0.000003 Minimization converged after 17 steps. Pressure: -116.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:14:53 -285.643243 0.031254 LBFGSLineSearch: 1 18:14:55 -285.643362 0.008574 LBFGSLineSearch: 2 18:14:56 -285.643369 0.006621 LBFGSLineSearch: 3 18:14:57 -285.643370 0.002468 LBFGSLineSearch: 4 18:14:57 -285.643371 0.001975 LBFGSLineSearch: 5 18:14:57 -285.643371 0.001378 LBFGSLineSearch: 6 18:14:58 -285.643371 0.001003 LBFGSLineSearch: 7 18:14:58 -285.643371 0.001383 LBFGSLineSearch: 8 18:14:58 -285.643371 0.001195 LBFGSLineSearch: 9 18:14:58 -285.643372 0.001054 LBFGSLineSearch: 10 18:14:59 -285.643372 0.002114 LBFGSLineSearch: 11 18:14:59 -285.643372 0.000488 LBFGSLineSearch: 12 18:15:00 -285.643372 0.000362 LBFGSLineSearch: 13 18:15:02 -285.643372 0.000257 LBFGSLineSearch: 14 18:15:03 -285.643372 0.000177 LBFGSLineSearch: 15 18:15:05 -285.643372 0.000076 LBFGSLineSearch: 16 18:15:06 -285.643372 0.000044 LBFGSLineSearch: 17 18:15:06 -285.643372 0.000026 LBFGSLineSearch: 18 18:15:06 -285.643372 0.000009 Minimization converged after 18 steps. Pressure: -116.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:15:12 -286.081169 0.031271 LBFGSLineSearch: 1 18:15:13 -286.081288 0.008560 LBFGSLineSearch: 2 18:15:15 -286.081296 0.006667 LBFGSLineSearch: 3 18:15:17 -286.081297 0.002460 LBFGSLineSearch: 4 18:15:17 -286.081297 0.001986 LBFGSLineSearch: 5 18:15:17 -286.081297 0.001380 LBFGSLineSearch: 6 18:15:18 -286.081297 0.001006 LBFGSLineSearch: 7 18:15:18 -286.081298 0.000988 LBFGSLineSearch: 8 18:15:19 -286.081298 0.001087 LBFGSLineSearch: 9 18:15:20 -286.081298 0.001504 LBFGSLineSearch: 10 18:15:20 -286.081301 0.004537 LBFGSLineSearch: 11 18:15:20 -286.081302 0.002105 LBFGSLineSearch: 12 18:15:21 -286.081302 0.001430 LBFGSLineSearch: 13 18:15:21 -286.081302 0.001223 LBFGSLineSearch: 14 18:15:21 -286.081302 0.000777 LBFGSLineSearch: 15 18:15:21 -286.081303 0.000484 LBFGSLineSearch: 16 18:15:21 -286.081303 0.000184 LBFGSLineSearch: 17 18:15:23 -286.081303 0.000128 LBFGSLineSearch: 18 18:15:24 -286.081303 0.000094 LBFGSLineSearch: 19 18:15:25 -286.081303 0.000006 Minimization converged after 19 steps. Pressure: -117.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:15:31 -286.519373 0.031293 LBFGSLineSearch: 1 18:15:33 -286.519493 0.008571 LBFGSLineSearch: 2 18:15:34 -286.519501 0.006656 LBFGSLineSearch: 3 18:15:36 -286.519502 0.002431 LBFGSLineSearch: 4 18:15:38 -286.519502 0.001995 LBFGSLineSearch: 5 18:15:39 -286.519502 0.001382 LBFGSLineSearch: 6 18:15:40 -286.519503 0.001010 LBFGSLineSearch: 7 18:15:41 -286.519503 0.000979 LBFGSLineSearch: 8 18:15:43 -286.519503 0.001082 LBFGSLineSearch: 9 18:15:44 -286.519503 0.001519 LBFGSLineSearch: 10 18:15:45 -286.519503 0.000658 LBFGSLineSearch: 11 18:15:46 -286.519503 0.000213 LBFGSLineSearch: 12 18:15:48 -286.519503 0.000209 LBFGSLineSearch: 13 18:15:50 -286.519503 0.000144 LBFGSLineSearch: 14 18:15:51 -286.519503 0.000124 LBFGSLineSearch: 15 18:15:51 -286.519503 0.000019 LBFGSLineSearch: 16 18:15:51 -286.519503 0.000015 LBFGSLineSearch: 17 18:15:51 -286.519503 0.000006 Minimization converged after 17 steps. Pressure: -117.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:15:57 -286.957835 0.031312 LBFGSLineSearch: 1 18:15:58 -286.957959 0.008549 LBFGSLineSearch: 2 18:15:58 -286.957970 0.005520 LBFGSLineSearch: 3 18:15:58 -286.957971 0.003793 LBFGSLineSearch: 4 18:15:59 -286.957972 0.003099 LBFGSLineSearch: 5 18:16:00 -286.957972 0.002027 LBFGSLineSearch: 6 18:16:00 -286.957973 0.002037 LBFGSLineSearch: 7 18:16:01 -286.957973 0.001658 LBFGSLineSearch: 8 18:16:01 -286.957974 0.001166 LBFGSLineSearch: 9 18:16:01 -286.957974 0.001809 LBFGSLineSearch: 10 18:16:01 -286.957975 0.001158 LBFGSLineSearch: 11 18:16:01 -286.957975 0.000803 LBFGSLineSearch: 12 18:16:02 -286.957975 0.000617 LBFGSLineSearch: 13 18:16:02 -286.957975 0.000406 LBFGSLineSearch: 14 18:16:02 -286.957975 0.000291 LBFGSLineSearch: 15 18:16:02 -286.957975 0.000113 LBFGSLineSearch: 16 18:16:02 -286.957975 0.000091 LBFGSLineSearch: 17 18:16:02 -286.957975 0.000019 LBFGSLineSearch: 18 18:16:03 -286.957975 0.000002 Minimization converged after 18 steps. Pressure: -118.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:16:10 -287.396585 0.031329 LBFGSLineSearch: 1 18:16:11 -287.396707 0.008562 LBFGSLineSearch: 2 18:16:12 -287.396715 0.006682 LBFGSLineSearch: 3 18:16:12 -287.396716 0.002402 LBFGSLineSearch: 4 18:16:12 -287.396716 0.002016 LBFGSLineSearch: 5 18:16:13 -287.396716 0.001390 LBFGSLineSearch: 6 18:16:13 -287.396717 0.001020 LBFGSLineSearch: 7 18:16:13 -287.396717 0.000972 LBFGSLineSearch: 8 18:16:13 -287.396717 0.001087 LBFGSLineSearch: 9 18:16:14 -287.396717 0.001529 LBFGSLineSearch: 10 18:16:14 -287.396717 0.000649 LBFGSLineSearch: 11 18:16:14 -287.396717 0.000217 LBFGSLineSearch: 12 18:16:14 -287.396717 0.000212 LBFGSLineSearch: 13 18:16:15 -287.396717 0.000140 LBFGSLineSearch: 14 18:16:15 -287.396717 0.000102 LBFGSLineSearch: 15 18:16:16 -287.396717 0.000019 LBFGSLineSearch: 16 18:16:16 -287.396717 0.000015 LBFGSLineSearch: 17 18:16:16 -287.396717 0.000007 Minimization converged after 17 steps. Pressure: -118.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:16:22 -287.835592 0.031352 LBFGSLineSearch: 1 18:16:25 -287.835714 0.008527 LBFGSLineSearch: 2 18:16:26 -287.835723 0.006677 LBFGSLineSearch: 3 18:16:28 -287.835724 0.002386 LBFGSLineSearch: 4 18:16:29 -287.835724 0.002028 LBFGSLineSearch: 5 18:16:31 -287.835724 0.001395 LBFGSLineSearch: 6 18:16:33 -287.835725 0.001026 LBFGSLineSearch: 7 18:16:36 -287.835725 0.000967 LBFGSLineSearch: 8 18:16:39 -287.835725 0.001090 LBFGSLineSearch: 9 18:16:40 -287.835725 0.001527 LBFGSLineSearch: 10 18:16:41 -287.835725 0.000653 LBFGSLineSearch: 11 18:16:41 -287.835725 0.000222 LBFGSLineSearch: 12 18:16:41 -287.835725 0.000217 LBFGSLineSearch: 13 18:16:42 -287.835725 0.000133 LBFGSLineSearch: 14 18:16:43 -287.835725 0.000092 LBFGSLineSearch: 15 18:16:44 -287.835725 0.000019 LBFGSLineSearch: 16 18:16:44 -287.835725 0.000016 LBFGSLineSearch: 17 18:16:44 -287.835725 0.000009 Minimization converged after 17 steps. Pressure: -119.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:16:51 -288.274867 0.031371 LBFGSLineSearch: 1 18:16:51 -288.274990 0.008516 LBFGSLineSearch: 2 18:16:52 -288.275000 0.006431 LBFGSLineSearch: 3 18:16:52 -288.275001 0.002141 LBFGSLineSearch: 4 18:16:52 -288.275001 0.001602 LBFGSLineSearch: 5 18:16:52 -288.275001 0.000938 LBFGSLineSearch: 6 18:16:53 -288.275001 0.000764 LBFGSLineSearch: 7 18:16:53 -288.275001 0.000676 LBFGSLineSearch: 8 18:16:54 -288.275001 0.000564 LBFGSLineSearch: 9 18:16:54 -288.275001 0.000738 LBFGSLineSearch: 10 18:16:54 -288.275001 0.000407 LBFGSLineSearch: 11 18:16:54 -288.275001 0.000386 LBFGSLineSearch: 12 18:16:55 -288.275001 0.000296 LBFGSLineSearch: 13 18:16:55 -288.275001 0.000155 LBFGSLineSearch: 14 18:16:56 -288.275001 0.000061 LBFGSLineSearch: 15 18:16:57 -288.275001 0.000009 Minimization converged after 15 steps. Pressure: -119.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:17:03 -288.714416 0.031390 LBFGSLineSearch: 1 18:17:04 -288.714539 0.008512 LBFGSLineSearch: 2 18:17:04 -288.714548 0.006733 LBFGSLineSearch: 3 18:17:05 -288.714549 0.002359 LBFGSLineSearch: 4 18:17:05 -288.714550 0.002050 LBFGSLineSearch: 5 18:17:05 -288.714550 0.001403 LBFGSLineSearch: 6 18:17:05 -288.714550 0.001038 LBFGSLineSearch: 7 18:17:05 -288.714550 0.000955 LBFGSLineSearch: 8 18:17:05 -288.714550 0.001097 LBFGSLineSearch: 9 18:17:05 -288.714551 0.001537 LBFGSLineSearch: 10 18:17:06 -288.714551 0.000632 LBFGSLineSearch: 11 18:17:06 -288.714551 0.000229 LBFGSLineSearch: 12 18:17:06 -288.714551 0.000222 LBFGSLineSearch: 13 18:17:06 -288.714551 0.000120 LBFGSLineSearch: 14 18:17:06 -288.714551 0.000077 LBFGSLineSearch: 15 18:17:06 -288.714551 0.000020 LBFGSLineSearch: 16 18:17:07 -288.714551 0.000016 LBFGSLineSearch: 17 18:17:07 -288.714551 0.000013 LBFGSLineSearch: 18 18:17:08 -288.714551 0.000000 Minimization converged after 18 steps. Pressure: -120.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:17:14 -289.154236 0.031406 LBFGSLineSearch: 1 18:17:14 -289.154360 0.008541 LBFGSLineSearch: 2 18:17:14 -289.154369 0.006751 LBFGSLineSearch: 3 18:17:14 -289.154371 0.002352 LBFGSLineSearch: 4 18:17:14 -289.154371 0.002060 LBFGSLineSearch: 5 18:17:14 -289.154371 0.001407 LBFGSLineSearch: 6 18:17:15 -289.154371 0.001043 LBFGSLineSearch: 7 18:17:15 -289.154371 0.000950 LBFGSLineSearch: 8 18:17:15 -289.154372 0.001098 LBFGSLineSearch: 9 18:17:16 -289.154372 0.001538 LBFGSLineSearch: 10 18:17:17 -289.154372 0.000628 LBFGSLineSearch: 11 18:17:18 -289.154372 0.000231 LBFGSLineSearch: 12 18:17:20 -289.154372 0.000224 LBFGSLineSearch: 13 18:17:20 -289.154372 0.000121 LBFGSLineSearch: 14 18:17:21 -289.154372 0.000076 LBFGSLineSearch: 15 18:17:23 -289.154372 0.000021 LBFGSLineSearch: 16 18:17:25 -289.154372 0.000016 LBFGSLineSearch: 17 18:17:26 -289.154372 0.000013 LBFGSLineSearch: 18 18:17:27 -289.154372 0.000000 Minimization converged after 18 steps. Pressure: -120.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:17:33 -289.594330 0.031426 LBFGSLineSearch: 1 18:17:34 -289.594455 0.009731 LBFGSLineSearch: 2 18:17:34 -289.594467 0.006642 LBFGSLineSearch: 3 18:17:34 -289.594468 0.002274 LBFGSLineSearch: 4 18:17:35 -289.594469 0.002225 LBFGSLineSearch: 5 18:17:35 -289.594469 0.001862 LBFGSLineSearch: 6 18:17:36 -289.594469 0.001366 LBFGSLineSearch: 7 18:17:36 -289.594470 0.001013 LBFGSLineSearch: 8 18:17:36 -289.594470 0.000948 LBFGSLineSearch: 9 18:17:36 -289.594470 0.000840 LBFGSLineSearch: 10 18:17:36 -289.594470 0.000703 LBFGSLineSearch: 11 18:17:37 -289.594470 0.000848 LBFGSLineSearch: 12 18:17:37 -289.594470 0.000753 LBFGSLineSearch: 13 18:17:37 -289.594470 0.000710 LBFGSLineSearch: 14 18:17:37 -289.594470 0.000830 LBFGSLineSearch: 15 18:17:38 -289.594470 0.000198 LBFGSLineSearch: 16 18:17:38 -289.594470 0.000092 LBFGSLineSearch: 17 18:17:38 -289.594470 0.000052 LBFGSLineSearch: 18 18:17:39 -289.594470 0.000013 LBFGSLineSearch: 19 18:17:39 -289.594470 0.000000 Minimization converged after 19 steps. Pressure: -121.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:17:45 -290.034715 0.031446 LBFGSLineSearch: 1 18:17:46 -290.034840 0.008529 LBFGSLineSearch: 2 18:17:46 -290.034850 0.006792 LBFGSLineSearch: 3 18:17:47 -290.034851 0.002356 LBFGSLineSearch: 4 18:17:47 -290.034852 0.002082 LBFGSLineSearch: 5 18:17:47 -290.034852 0.001417 LBFGSLineSearch: 6 18:17:48 -290.034852 0.001057 LBFGSLineSearch: 7 18:17:48 -290.034852 0.000989 LBFGSLineSearch: 8 18:17:48 -290.034853 0.001100 LBFGSLineSearch: 9 18:17:48 -290.034853 0.001539 LBFGSLineSearch: 10 18:17:48 -290.034853 0.000626 LBFGSLineSearch: 11 18:17:48 -290.034853 0.000237 LBFGSLineSearch: 12 18:17:49 -290.034853 0.000226 LBFGSLineSearch: 13 18:17:49 -290.034853 0.000183 LBFGSLineSearch: 14 18:17:49 -290.034853 0.000071 LBFGSLineSearch: 15 18:17:49 -290.034853 0.000039 LBFGSLineSearch: 16 18:17:49 -290.034853 0.000019 LBFGSLineSearch: 17 18:17:49 -290.034853 0.000016 LBFGSLineSearch: 18 18:17:49 -290.034853 0.000003 Minimization converged after 18 steps. Pressure: -121.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:17:56 -290.475374 0.031467 LBFGSLineSearch: 1 18:17:57 -290.475501 0.008533 LBFGSLineSearch: 2 18:17:57 -290.475512 0.007004 LBFGSLineSearch: 3 18:17:58 -290.475513 0.002667 LBFGSLineSearch: 4 18:17:58 -290.475514 0.002253 LBFGSLineSearch: 5 18:17:59 -290.475514 0.001602 LBFGSLineSearch: 6 18:18:00 -290.475514 0.001247 LBFGSLineSearch: 7 18:18:01 -290.475514 0.001181 LBFGSLineSearch: 8 18:18:05 -290.475514 0.001467 LBFGSLineSearch: 9 18:18:07 -290.475515 0.001466 LBFGSLineSearch: 10 18:18:08 -290.475515 0.000882 LBFGSLineSearch: 11 18:18:09 -290.475515 0.000420 LBFGSLineSearch: 12 18:18:09 -290.475515 0.000382 LBFGSLineSearch: 13 18:18:10 -290.475515 0.000452 LBFGSLineSearch: 14 18:18:11 -290.475515 0.000089 LBFGSLineSearch: 15 18:18:12 -290.475515 0.000079 LBFGSLineSearch: 16 18:18:14 -290.475515 0.000052 LBFGSLineSearch: 17 18:18:14 -290.475515 0.000018 LBFGSLineSearch: 18 18:18:15 -290.475515 0.000001 Minimization converged after 18 steps. Pressure: -122.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:18:20 -290.916319 0.031486 LBFGSLineSearch: 1 18:18:21 -290.916445 0.008524 LBFGSLineSearch: 2 18:18:22 -290.916456 0.006833 LBFGSLineSearch: 3 18:18:23 -290.916457 0.002380 LBFGSLineSearch: 4 18:18:24 -290.916457 0.002105 LBFGSLineSearch: 5 18:18:24 -290.916458 0.001428 LBFGSLineSearch: 6 18:18:25 -290.916458 0.001071 LBFGSLineSearch: 7 18:18:25 -290.916458 0.001035 LBFGSLineSearch: 8 18:18:26 -290.916458 0.001101 LBFGSLineSearch: 9 18:18:27 -290.916458 0.001536 LBFGSLineSearch: 10 18:18:27 -290.916459 0.000627 LBFGSLineSearch: 11 18:18:27 -290.916459 0.000246 LBFGSLineSearch: 12 18:18:28 -290.916459 0.000232 LBFGSLineSearch: 13 18:18:28 -290.916459 0.000164 LBFGSLineSearch: 14 18:18:28 -290.916459 0.000113 LBFGSLineSearch: 15 18:18:28 -290.916459 0.000062 LBFGSLineSearch: 16 18:18:28 -290.916459 0.000020 LBFGSLineSearch: 17 18:18:29 -290.916459 0.000016 LBFGSLineSearch: 18 18:18:29 -290.916459 0.000003 Minimization converged after 18 steps. Pressure: -122.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:18:35 -291.357543 0.031508 LBFGSLineSearch: 1 18:18:36 -291.357670 0.008525 LBFGSLineSearch: 2 18:18:36 -291.357681 0.006848 LBFGSLineSearch: 3 18:18:37 -291.357682 0.002445 LBFGSLineSearch: 4 18:18:38 -291.357683 0.002734 LBFGSLineSearch: 5 18:18:38 -291.357683 0.002090 LBFGSLineSearch: 6 18:18:38 -291.357684 0.001558 LBFGSLineSearch: 7 18:18:38 -291.357684 0.001236 LBFGSLineSearch: 8 18:18:38 -291.357684 0.000938 LBFGSLineSearch: 9 18:18:38 -291.357684 0.000791 LBFGSLineSearch: 10 18:18:39 -291.357684 0.000933 LBFGSLineSearch: 11 18:18:39 -291.357685 0.000797 LBFGSLineSearch: 12 18:18:39 -291.357685 0.000651 LBFGSLineSearch: 13 18:18:40 -291.357685 0.000570 LBFGSLineSearch: 14 18:18:41 -291.357685 0.000371 LBFGSLineSearch: 15 18:18:42 -291.357685 0.000189 LBFGSLineSearch: 16 18:18:43 -291.357685 0.000157 LBFGSLineSearch: 17 18:18:44 -291.357685 0.000096 LBFGSLineSearch: 18 18:18:45 -291.357685 0.000056 LBFGSLineSearch: 19 18:18:46 -291.357685 0.000014 LBFGSLineSearch: 20 18:18:48 -291.357685 0.000001 Minimization converged after 20 steps. Pressure: -123.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:18:53 -291.799058 0.031527 LBFGSLineSearch: 1 18:18:54 -291.799186 0.008519 LBFGSLineSearch: 2 18:18:54 -291.799198 0.006882 LBFGSLineSearch: 3 18:18:54 -291.799199 0.002433 LBFGSLineSearch: 4 18:18:55 -291.799199 0.002129 LBFGSLineSearch: 5 18:18:55 -291.799200 0.001441 LBFGSLineSearch: 6 18:18:55 -291.799200 0.001088 LBFGSLineSearch: 7 18:18:55 -291.799200 0.001078 LBFGSLineSearch: 8 18:18:55 -291.799200 0.001101 LBFGSLineSearch: 9 18:18:55 -291.799200 0.001534 LBFGSLineSearch: 10 18:18:56 -291.799201 0.000622 LBFGSLineSearch: 11 18:18:56 -291.799201 0.000256 LBFGSLineSearch: 12 18:18:56 -291.799201 0.000240 LBFGSLineSearch: 13 18:18:56 -291.799201 0.000162 LBFGSLineSearch: 14 18:18:56 -291.799201 0.000079 LBFGSLineSearch: 15 18:18:56 -291.799201 0.000041 LBFGSLineSearch: 16 18:18:57 -291.799201 0.000020 LBFGSLineSearch: 17 18:18:57 -291.799201 0.000017 LBFGSLineSearch: 18 18:18:57 -291.799201 0.000005 Minimization converged after 18 steps. Pressure: -123.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:19:03 -292.240859 0.031548 LBFGSLineSearch: 1 18:19:05 -292.240988 0.008519 LBFGSLineSearch: 2 18:19:06 -292.240999 0.006896 LBFGSLineSearch: 3 18:19:07 -292.241001 0.002473 LBFGSLineSearch: 4 18:19:08 -292.241001 0.002141 LBFGSLineSearch: 5 18:19:08 -292.241001 0.001448 LBFGSLineSearch: 6 18:19:08 -292.241001 0.001096 LBFGSLineSearch: 7 18:19:09 -292.241002 0.001103 LBFGSLineSearch: 8 18:19:10 -292.241002 0.001095 LBFGSLineSearch: 9 18:19:10 -292.241002 0.001535 LBFGSLineSearch: 10 18:19:13 -292.241002 0.000619 LBFGSLineSearch: 11 18:19:13 -292.241002 0.000260 LBFGSLineSearch: 12 18:19:13 -292.241002 0.000243 LBFGSLineSearch: 13 18:19:14 -292.241002 0.000161 LBFGSLineSearch: 14 18:19:15 -292.241002 0.000090 LBFGSLineSearch: 15 18:19:16 -292.241003 0.000039 LBFGSLineSearch: 16 18:19:17 -292.241003 0.000020 LBFGSLineSearch: 17 18:19:17 -292.241003 0.000017 LBFGSLineSearch: 18 18:19:18 -292.241003 0.000004 Minimization converged after 18 steps. Pressure: -124.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:19:24 -292.682948 0.031569 LBFGSLineSearch: 1 18:19:24 -292.683077 0.008515 LBFGSLineSearch: 2 18:19:25 -292.683090 0.006919 LBFGSLineSearch: 3 18:19:26 -292.683091 0.002515 LBFGSLineSearch: 4 18:19:27 -292.683091 0.002153 LBFGSLineSearch: 5 18:19:27 -292.683092 0.001455 LBFGSLineSearch: 6 18:19:28 -292.683092 0.001105 LBFGSLineSearch: 7 18:19:28 -292.683092 0.001123 LBFGSLineSearch: 8 18:19:28 -292.683092 0.001095 LBFGSLineSearch: 9 18:19:28 -292.683092 0.001532 LBFGSLineSearch: 10 18:19:29 -292.683093 0.000614 LBFGSLineSearch: 11 18:19:29 -292.683093 0.000265 LBFGSLineSearch: 12 18:19:29 -292.683093 0.000247 LBFGSLineSearch: 13 18:19:29 -292.683093 0.000160 LBFGSLineSearch: 14 18:19:29 -292.683093 0.000114 LBFGSLineSearch: 15 18:19:29 -292.683093 0.000039 LBFGSLineSearch: 16 18:19:30 -292.683093 0.000020 LBFGSLineSearch: 17 18:19:30 -292.683093 0.000017 LBFGSLineSearch: 18 18:19:30 -292.683093 0.000004 Minimization converged after 18 steps. Pressure: -124.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:19:36 -293.125328 0.031590 LBFGSLineSearch: 1 18:19:39 -293.125457 0.008512 LBFGSLineSearch: 2 18:19:39 -293.125470 0.006942 LBFGSLineSearch: 3 18:19:40 -293.125471 0.002556 LBFGSLineSearch: 4 18:19:40 -293.125472 0.002165 LBFGSLineSearch: 5 18:19:41 -293.125472 0.001462 LBFGSLineSearch: 6 18:19:42 -293.125472 0.001113 LBFGSLineSearch: 7 18:19:43 -293.125472 0.001143 LBFGSLineSearch: 8 18:19:43 -293.125473 0.001093 LBFGSLineSearch: 9 18:19:44 -293.125473 0.001529 LBFGSLineSearch: 10 18:19:44 -293.125473 0.000607 LBFGSLineSearch: 11 18:19:45 -293.125473 0.000269 LBFGSLineSearch: 12 18:19:45 -293.125473 0.000251 LBFGSLineSearch: 13 18:19:45 -293.125473 0.000159 LBFGSLineSearch: 14 18:19:45 -293.125473 0.000127 LBFGSLineSearch: 15 18:19:45 -293.125473 0.000037 LBFGSLineSearch: 16 18:19:46 -293.125473 0.000021 LBFGSLineSearch: 17 18:19:47 -293.125473 0.000017 LBFGSLineSearch: 18 18:19:48 -293.125473 0.000007 Minimization converged after 18 steps. Pressure: -125.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:19:54 -293.568000 0.031611 LBFGSLineSearch: 1 18:19:55 -293.568130 0.008508 LBFGSLineSearch: 2 18:19:55 -293.568143 0.006960 LBFGSLineSearch: 3 18:19:56 -293.568145 0.002598 LBFGSLineSearch: 4 18:19:56 -293.568145 0.002178 LBFGSLineSearch: 5 18:19:57 -293.568145 0.001470 LBFGSLineSearch: 6 18:19:58 -293.568146 0.001122 LBFGSLineSearch: 7 18:19:59 -293.568146 0.001164 LBFGSLineSearch: 8 18:20:00 -293.568146 0.001091 LBFGSLineSearch: 9 18:20:01 -293.568146 0.001526 LBFGSLineSearch: 10 18:20:01 -293.568147 0.000608 LBFGSLineSearch: 11 18:20:01 -293.568147 0.000274 LBFGSLineSearch: 12 18:20:02 -293.568147 0.000255 LBFGSLineSearch: 13 18:20:02 -293.568147 0.000158 LBFGSLineSearch: 14 18:20:02 -293.568147 0.000132 LBFGSLineSearch: 15 18:20:02 -293.568147 0.000036 LBFGSLineSearch: 16 18:20:02 -293.568147 0.000021 LBFGSLineSearch: 17 18:20:02 -293.568147 0.000018 LBFGSLineSearch: 18 18:20:02 -293.568147 0.000009 Minimization converged after 18 steps. Pressure: -125.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:20:07 -294.010967 0.031633 LBFGSLineSearch: 1 18:20:08 -294.011099 0.009622 LBFGSLineSearch: 2 18:20:08 -294.011114 0.007327 LBFGSLineSearch: 3 18:20:09 -294.011116 0.002614 LBFGSLineSearch: 4 18:20:10 -294.011116 0.002103 LBFGSLineSearch: 5 18:20:10 -294.011116 0.001452 LBFGSLineSearch: 6 18:20:11 -294.011117 0.001141 LBFGSLineSearch: 7 18:20:11 -294.011117 0.001112 LBFGSLineSearch: 8 18:20:12 -294.011117 0.001472 LBFGSLineSearch: 9 18:20:12 -294.011117 0.001401 LBFGSLineSearch: 10 18:20:13 -294.011118 0.000879 LBFGSLineSearch: 11 18:20:14 -294.011118 0.000394 LBFGSLineSearch: 12 18:20:14 -294.011118 0.000385 LBFGSLineSearch: 13 18:20:14 -294.011118 0.000319 LBFGSLineSearch: 14 18:20:14 -294.011118 0.000132 LBFGSLineSearch: 15 18:20:15 -294.011118 0.000046 LBFGSLineSearch: 16 18:20:16 -294.011118 0.000023 LBFGSLineSearch: 17 18:20:18 -294.011118 0.000017 LBFGSLineSearch: 18 18:20:19 -294.011118 0.000002 Minimization converged after 18 steps. Pressure: -126.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:20:25 -294.454241 0.031652 LBFGSLineSearch: 1 18:20:26 -294.454372 0.008503 LBFGSLineSearch: 2 18:20:26 -294.454386 0.007032 LBFGSLineSearch: 3 18:20:27 -294.454388 0.002688 LBFGSLineSearch: 4 18:20:27 -294.454388 0.002203 LBFGSLineSearch: 5 18:20:28 -294.454388 0.001484 LBFGSLineSearch: 6 18:20:29 -294.454389 0.001138 LBFGSLineSearch: 7 18:20:30 -294.454389 0.001192 LBFGSLineSearch: 8 18:20:30 -294.454389 0.001099 LBFGSLineSearch: 9 18:20:30 -294.454389 0.001509 LBFGSLineSearch: 10 18:20:31 -294.454389 0.000591 LBFGSLineSearch: 11 18:20:31 -294.454390 0.000282 LBFGSLineSearch: 12 18:20:32 -294.454390 0.000263 LBFGSLineSearch: 13 18:20:32 -294.454390 0.000158 LBFGSLineSearch: 14 18:20:33 -294.454390 0.000118 LBFGSLineSearch: 15 18:20:33 -294.454390 0.000033 LBFGSLineSearch: 16 18:20:33 -294.454390 0.000022 LBFGSLineSearch: 17 18:20:35 -294.454390 0.000018 LBFGSLineSearch: 18 18:20:36 -294.454390 0.000009 Minimization converged after 18 steps. Pressure: -126.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:20:41 -294.897811 0.031676 LBFGSLineSearch: 1 18:20:42 -294.897943 0.008518 LBFGSLineSearch: 2 18:20:43 -294.897958 0.007034 LBFGSLineSearch: 3 18:20:44 -294.897959 0.002729 LBFGSLineSearch: 4 18:20:44 -294.897960 0.002217 LBFGSLineSearch: 5 18:20:45 -294.897960 0.001495 LBFGSLineSearch: 6 18:20:45 -294.897960 0.001149 LBFGSLineSearch: 7 18:20:47 -294.897960 0.001218 LBFGSLineSearch: 8 18:20:49 -294.897960 0.001087 LBFGSLineSearch: 9 18:20:50 -294.897961 0.001514 LBFGSLineSearch: 10 18:20:52 -294.897961 0.000605 LBFGSLineSearch: 11 18:20:52 -294.897961 0.000288 LBFGSLineSearch: 12 18:20:53 -294.897961 0.000267 LBFGSLineSearch: 13 18:20:54 -294.897961 0.000158 LBFGSLineSearch: 14 18:20:54 -294.897961 0.000113 LBFGSLineSearch: 15 18:20:55 -294.897961 0.000035 LBFGSLineSearch: 16 18:20:56 -294.897961 0.000023 LBFGSLineSearch: 17 18:20:57 -294.897961 0.000018 LBFGSLineSearch: 18 18:20:58 -294.897961 0.000009 Minimization converged after 18 steps. Pressure: -127.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:21:04 -295.341683 0.031699 LBFGSLineSearch: 1 18:21:04 -295.341816 0.008668 LBFGSLineSearch: 2 18:21:04 -295.341831 0.007059 LBFGSLineSearch: 3 18:21:04 -295.341833 0.002773 LBFGSLineSearch: 4 18:21:05 -295.341833 0.002230 LBFGSLineSearch: 5 18:21:05 -295.341833 0.001504 LBFGSLineSearch: 6 18:21:05 -295.341834 0.001158 LBFGSLineSearch: 7 18:21:05 -295.341834 0.001234 LBFGSLineSearch: 8 18:21:05 -295.341834 0.001087 LBFGSLineSearch: 9 18:21:06 -295.341834 0.001507 LBFGSLineSearch: 10 18:21:07 -295.341835 0.000603 LBFGSLineSearch: 11 18:21:08 -295.341835 0.000293 LBFGSLineSearch: 12 18:21:09 -295.341835 0.000271 LBFGSLineSearch: 13 18:21:10 -295.341835 0.000159 LBFGSLineSearch: 14 18:21:10 -295.341835 0.000104 LBFGSLineSearch: 15 18:21:11 -295.341835 0.000038 LBFGSLineSearch: 16 18:21:12 -295.341835 0.000023 LBFGSLineSearch: 17 18:21:12 -295.341835 0.000018 LBFGSLineSearch: 18 18:21:13 -295.341835 0.000010 LBFGSLineSearch: 19 18:21:13 -295.341835 0.000000 Minimization converged after 19 steps. Pressure: -127.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:21:21 -295.785860 0.031716 LBFGSLineSearch: 1 18:21:21 -295.785994 0.008812 LBFGSLineSearch: 2 18:21:22 -295.786009 0.007116 LBFGSLineSearch: 3 18:21:23 -295.786011 0.002823 LBFGSLineSearch: 4 18:21:24 -295.786011 0.002243 LBFGSLineSearch: 5 18:21:24 -295.786012 0.001510 LBFGSLineSearch: 6 18:21:24 -295.786012 0.001165 LBFGSLineSearch: 7 18:21:24 -295.786012 0.001239 LBFGSLineSearch: 8 18:21:25 -295.786012 0.001107 LBFGSLineSearch: 9 18:21:25 -295.786012 0.001488 LBFGSLineSearch: 10 18:21:26 -295.786013 0.000581 LBFGSLineSearch: 11 18:21:26 -295.786013 0.000296 LBFGSLineSearch: 12 18:21:26 -295.786013 0.000276 LBFGSLineSearch: 13 18:21:26 -295.786013 0.000162 LBFGSLineSearch: 14 18:21:26 -295.786013 0.000091 LBFGSLineSearch: 15 18:21:26 -295.786013 0.000038 LBFGSLineSearch: 16 18:21:27 -295.786013 0.000023 LBFGSLineSearch: 17 18:21:27 -295.786013 0.000018 LBFGSLineSearch: 18 18:21:27 -295.786013 0.000011 LBFGSLineSearch: 19 18:21:28 -295.786013 0.000000 Minimization converged after 19 steps. Pressure: -128.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:21:35 -296.230344 0.031738 LBFGSLineSearch: 1 18:21:36 -296.230479 0.008965 LBFGSLineSearch: 2 18:21:37 -296.230495 0.007145 LBFGSLineSearch: 3 18:21:38 -296.230496 0.002869 LBFGSLineSearch: 4 18:21:39 -296.230497 0.002257 LBFGSLineSearch: 5 18:21:40 -296.230497 0.001519 LBFGSLineSearch: 6 18:21:40 -296.230497 0.001174 LBFGSLineSearch: 7 18:21:42 -296.230497 0.001253 LBFGSLineSearch: 8 18:21:42 -296.230498 0.001113 LBFGSLineSearch: 9 18:21:43 -296.230498 0.001477 LBFGSLineSearch: 10 18:21:44 -296.230498 0.000577 LBFGSLineSearch: 11 18:21:44 -296.230498 0.000300 LBFGSLineSearch: 12 18:21:44 -296.230498 0.000281 LBFGSLineSearch: 13 18:21:45 -296.230498 0.000188 LBFGSLineSearch: 14 18:21:45 -296.230498 0.000117 LBFGSLineSearch: 15 18:21:46 -296.230498 0.000040 LBFGSLineSearch: 16 18:21:46 -296.230498 0.000024 LBFGSLineSearch: 17 18:21:47 -296.230498 0.000019 LBFGSLineSearch: 18 18:21:47 -296.230498 0.000012 LBFGSLineSearch: 19 18:21:48 -296.230498 0.000000 Minimization converged after 19 steps. Pressure: -128.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:21:54 -296.675138 0.031760 LBFGSLineSearch: 1 18:21:54 -296.675274 0.009626 LBFGSLineSearch: 2 18:21:55 -296.675293 0.007673 LBFGSLineSearch: 3 18:21:56 -296.675294 0.003079 LBFGSLineSearch: 4 18:21:57 -296.675295 0.002307 LBFGSLineSearch: 5 18:21:58 -296.675295 0.001508 LBFGSLineSearch: 6 18:21:58 -296.675295 0.001173 LBFGSLineSearch: 7 18:21:58 -296.675296 0.001045 LBFGSLineSearch: 8 18:21:59 -296.675296 0.001072 LBFGSLineSearch: 9 18:21:59 -296.675296 0.000810 LBFGSLineSearch: 10 18:21:59 -296.675296 0.001011 LBFGSLineSearch: 11 18:22:00 -296.675296 0.000618 LBFGSLineSearch: 12 18:22:00 -296.675296 0.000611 LBFGSLineSearch: 13 18:22:01 -296.675296 0.000540 LBFGSLineSearch: 14 18:22:01 -296.675296 0.000156 LBFGSLineSearch: 15 18:22:01 -296.675296 0.000108 LBFGSLineSearch: 16 18:22:02 -296.675296 0.000081 LBFGSLineSearch: 17 18:22:02 -296.675296 0.000057 LBFGSLineSearch: 18 18:22:03 -296.675296 0.000013 LBFGSLineSearch: 19 18:22:04 -296.675296 0.000000 Minimization converged after 19 steps. Pressure: -129.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:22:11 -297.120253 0.031783 LBFGSLineSearch: 1 18:22:13 -297.120389 0.009275 LBFGSLineSearch: 2 18:22:14 -297.120406 0.007211 LBFGSLineSearch: 3 18:22:15 -297.120408 0.002965 LBFGSLineSearch: 4 18:22:16 -297.120409 0.002286 LBFGSLineSearch: 5 18:22:17 -297.120409 0.001538 LBFGSLineSearch: 6 18:22:17 -297.120409 0.001192 LBFGSLineSearch: 7 18:22:17 -297.120409 0.001015 LBFGSLineSearch: 8 18:22:18 -297.120409 0.001368 LBFGSLineSearch: 9 18:22:18 -297.120410 0.000956 LBFGSLineSearch: 10 18:22:18 -297.120410 0.001215 LBFGSLineSearch: 11 18:22:18 -297.120410 0.000335 LBFGSLineSearch: 12 18:22:19 -297.120410 0.000284 LBFGSLineSearch: 13 18:22:19 -297.120410 0.000240 LBFGSLineSearch: 14 18:22:19 -297.120410 0.000114 LBFGSLineSearch: 15 18:22:19 -297.120410 0.000030 LBFGSLineSearch: 16 18:22:19 -297.120410 0.000025 LBFGSLineSearch: 17 18:22:20 -297.120410 0.000014 LBFGSLineSearch: 18 18:22:20 -297.120410 0.000001 Minimization converged after 18 steps. Pressure: -129.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:22:26 -297.565681 0.031805 LBFGSLineSearch: 1 18:22:28 -297.565817 0.009432 LBFGSLineSearch: 2 18:22:28 -297.565835 0.007239 LBFGSLineSearch: 3 18:22:29 -297.565836 0.005111 LBFGSLineSearch: 4 18:22:29 -297.565837 0.002301 LBFGSLineSearch: 5 18:22:30 -297.565837 0.001440 LBFGSLineSearch: 6 18:22:31 -297.565838 0.001035 LBFGSLineSearch: 7 18:22:33 -297.565838 0.001346 LBFGSLineSearch: 8 18:22:35 -297.565838 0.000869 LBFGSLineSearch: 9 18:22:35 -297.565838 0.001073 LBFGSLineSearch: 10 18:22:35 -297.565839 0.000541 LBFGSLineSearch: 11 18:22:35 -297.565839 0.000334 LBFGSLineSearch: 12 18:22:35 -297.565839 0.000262 LBFGSLineSearch: 13 18:22:35 -297.565839 0.000218 LBFGSLineSearch: 14 18:22:35 -297.565839 0.000035 LBFGSLineSearch: 15 18:22:36 -297.565839 0.000029 LBFGSLineSearch: 16 18:22:36 -297.565839 0.000021 LBFGSLineSearch: 17 18:22:37 -297.565839 0.000008 Minimization converged after 17 steps. Pressure: -130.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:22:43 -298.011426 0.031827 LBFGSLineSearch: 1 18:22:44 -298.011563 0.009593 LBFGSLineSearch: 2 18:22:45 -298.011586 0.009009 LBFGSLineSearch: 3 18:22:47 -298.011590 0.004639 LBFGSLineSearch: 4 18:22:48 -298.011591 0.003961 LBFGSLineSearch: 5 18:22:49 -298.011592 0.003065 LBFGSLineSearch: 6 18:22:51 -298.011593 0.002604 LBFGSLineSearch: 7 18:22:52 -298.011594 0.001741 LBFGSLineSearch: 8 18:22:52 -298.011594 0.001468 LBFGSLineSearch: 9 18:22:53 -298.011595 0.001836 LBFGSLineSearch: 10 18:22:54 -298.011596 0.001885 LBFGSLineSearch: 11 18:22:54 -298.011596 0.001354 LBFGSLineSearch: 12 18:22:55 -298.011596 0.001190 LBFGSLineSearch: 13 18:22:55 -298.011597 0.000863 LBFGSLineSearch: 14 18:22:55 -298.011597 0.000499 LBFGSLineSearch: 15 18:22:56 -298.011597 0.000273 LBFGSLineSearch: 16 18:22:57 -298.011597 0.000043 LBFGSLineSearch: 17 18:22:58 -298.011597 0.000029 LBFGSLineSearch: 18 18:22:59 -298.011597 0.000023 LBFGSLineSearch: 19 18:22:59 -298.011597 0.000001 Minimization converged after 19 steps. Pressure: -130.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:23:06 -298.457523 0.031852 LBFGSLineSearch: 1 18:23:07 -298.457663 0.013427 LBFGSLineSearch: 2 18:23:08 -298.457685 0.009873 LBFGSLineSearch: 3 18:23:08 -298.457687 0.003791 LBFGSLineSearch: 4 18:23:08 -298.457688 0.002873 LBFGSLineSearch: 5 18:23:08 -298.457689 0.002616 LBFGSLineSearch: 6 18:23:09 -298.457689 0.001957 LBFGSLineSearch: 7 18:23:09 -298.457690 0.002195 LBFGSLineSearch: 8 18:23:09 -298.457691 0.003394 LBFGSLineSearch: 9 18:23:09 -298.457692 0.001536 LBFGSLineSearch: 10 18:23:10 -298.457692 0.002742 LBFGSLineSearch: 11 18:23:10 -298.457693 0.000801 LBFGSLineSearch: 12 18:23:10 -298.457693 0.000747 LBFGSLineSearch: 13 18:23:11 -298.457693 0.000574 LBFGSLineSearch: 14 18:23:11 -298.457693 0.000143 LBFGSLineSearch: 15 18:23:11 -298.457693 0.000118 LBFGSLineSearch: 16 18:23:12 -298.457693 0.000067 LBFGSLineSearch: 17 18:23:12 -298.457693 0.000021 LBFGSLineSearch: 18 18:23:12 -298.457693 0.000002 Minimization converged after 18 steps. Pressure: -131.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:23:19 -298.903956 0.031876 LBFGSLineSearch: 1 18:23:19 -298.904100 0.014870 LBFGSLineSearch: 2 18:23:19 -298.904126 0.008115 LBFGSLineSearch: 3 18:23:19 -298.904128 0.004950 LBFGSLineSearch: 4 18:23:19 -298.904129 0.004143 LBFGSLineSearch: 5 18:23:19 -298.904130 0.003499 LBFGSLineSearch: 6 18:23:19 -298.904131 0.003385 LBFGSLineSearch: 7 18:23:20 -298.904133 0.004281 LBFGSLineSearch: 8 18:23:20 -298.904135 0.002725 LBFGSLineSearch: 9 18:23:20 -298.904136 0.001795 LBFGSLineSearch: 10 18:23:20 -298.904137 0.002213 LBFGSLineSearch: 11 18:23:20 -298.904137 0.001518 LBFGSLineSearch: 12 18:23:21 -298.904138 0.001137 LBFGSLineSearch: 13 18:23:21 -298.904138 0.000541 LBFGSLineSearch: 14 18:23:21 -298.904138 0.000171 LBFGSLineSearch: 15 18:23:21 -298.904138 0.000087 LBFGSLineSearch: 16 18:23:21 -298.904138 0.000039 LBFGSLineSearch: 17 18:23:21 -298.904138 0.000002 Minimization converged after 17 steps. Pressure: -131.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:23:28 -299.350747 0.031901 LBFGSLineSearch: 1 18:23:28 -299.350887 0.010085 LBFGSLineSearch: 2 18:23:28 -299.350907 0.007390 LBFGSLineSearch: 3 18:23:29 -299.350908 0.005040 LBFGSLineSearch: 4 18:23:29 -299.350909 0.002361 LBFGSLineSearch: 5 18:23:29 -299.350910 0.001489 LBFGSLineSearch: 6 18:23:30 -299.350910 0.001240 LBFGSLineSearch: 7 18:23:31 -299.350910 0.001169 LBFGSLineSearch: 8 18:23:32 -299.350910 0.001653 LBFGSLineSearch: 9 18:23:33 -299.350910 0.001096 LBFGSLineSearch: 10 18:23:33 -299.350911 0.001404 LBFGSLineSearch: 11 18:23:34 -299.350911 0.000322 LBFGSLineSearch: 12 18:23:34 -299.350911 0.000297 LBFGSLineSearch: 13 18:23:34 -299.350911 0.000297 LBFGSLineSearch: 14 18:23:34 -299.350911 0.000037 LBFGSLineSearch: 15 18:23:35 -299.350911 0.000027 LBFGSLineSearch: 16 18:23:35 -299.350911 0.000019 LBFGSLineSearch: 17 18:23:36 -299.350911 0.000010 LBFGSLineSearch: 18 18:23:36 -299.350911 0.000000 Minimization converged after 18 steps. Pressure: -132.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:23:42 -299.797848 0.031924 LBFGSLineSearch: 1 18:23:43 -299.797989 0.010244 LBFGSLineSearch: 2 18:23:43 -299.798009 0.007417 LBFGSLineSearch: 3 18:23:44 -299.798011 0.005001 LBFGSLineSearch: 4 18:23:44 -299.798012 0.002379 LBFGSLineSearch: 5 18:23:45 -299.798012 0.001502 LBFGSLineSearch: 6 18:23:46 -299.798012 0.001247 LBFGSLineSearch: 7 18:23:46 -299.798012 0.001170 LBFGSLineSearch: 8 18:23:47 -299.798012 0.001660 LBFGSLineSearch: 9 18:23:48 -299.798013 0.001095 LBFGSLineSearch: 10 18:23:50 -299.798013 0.001403 LBFGSLineSearch: 11 18:23:51 -299.798013 0.000330 LBFGSLineSearch: 12 18:23:52 -299.798013 0.000302 LBFGSLineSearch: 13 18:23:52 -299.798013 0.000304 LBFGSLineSearch: 14 18:23:53 -299.798013 0.000035 LBFGSLineSearch: 15 18:23:54 -299.798013 0.000027 LBFGSLineSearch: 16 18:23:54 -299.798013 0.000017 LBFGSLineSearch: 17 18:23:54 -299.798013 0.000011 LBFGSLineSearch: 18 18:23:54 -299.798013 0.000000 Minimization converged after 18 steps. Pressure: -132.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:24:00 -300.245281 0.031948 LBFGSLineSearch: 1 18:24:00 -300.245423 0.010405 LBFGSLineSearch: 2 18:24:00 -300.245444 0.007455 LBFGSLineSearch: 3 18:24:00 -300.245446 0.004974 LBFGSLineSearch: 4 18:24:00 -300.245447 0.002396 LBFGSLineSearch: 5 18:24:01 -300.245447 0.001516 LBFGSLineSearch: 6 18:24:01 -300.245447 0.001253 LBFGSLineSearch: 7 18:24:01 -300.245447 0.001173 LBFGSLineSearch: 8 18:24:01 -300.245447 0.001666 LBFGSLineSearch: 9 18:24:01 -300.245448 0.001095 LBFGSLineSearch: 10 18:24:01 -300.245448 0.001402 LBFGSLineSearch: 11 18:24:02 -300.245448 0.000339 LBFGSLineSearch: 12 18:24:02 -300.245448 0.000307 LBFGSLineSearch: 13 18:24:02 -300.245448 0.000311 LBFGSLineSearch: 14 18:24:02 -300.245448 0.000033 LBFGSLineSearch: 15 18:24:02 -300.245448 0.000027 LBFGSLineSearch: 16 18:24:03 -300.245448 0.000017 LBFGSLineSearch: 17 18:24:03 -300.245448 0.000002 Minimization converged after 17 steps. Pressure: -133.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:24:10 -300.693050 0.031972 LBFGSLineSearch: 1 18:24:11 -300.693192 0.010567 LBFGSLineSearch: 2 18:24:12 -300.693214 0.007486 LBFGSLineSearch: 3 18:24:13 -300.693216 0.004932 LBFGSLineSearch: 4 18:24:13 -300.693217 0.002413 LBFGSLineSearch: 5 18:24:14 -300.693217 0.001530 LBFGSLineSearch: 6 18:24:14 -300.693217 0.001260 LBFGSLineSearch: 7 18:24:14 -300.693217 0.001174 LBFGSLineSearch: 8 18:24:15 -300.693218 0.001673 LBFGSLineSearch: 9 18:24:15 -300.693218 0.001092 LBFGSLineSearch: 10 18:24:15 -300.693218 0.001406 LBFGSLineSearch: 11 18:24:16 -300.693219 0.000347 LBFGSLineSearch: 12 18:24:16 -300.693219 0.000314 LBFGSLineSearch: 13 18:24:16 -300.693219 0.000262 LBFGSLineSearch: 14 18:24:17 -300.693219 0.000088 LBFGSLineSearch: 15 18:24:17 -300.693219 0.000031 LBFGSLineSearch: 16 18:24:17 -300.693219 0.000018 LBFGSLineSearch: 17 18:24:18 -300.693219 0.000009 Minimization converged after 17 steps. Pressure: -133.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:24:24 -301.141158 0.031994 LBFGSLineSearch: 1 18:24:25 -301.141300 0.010735 LBFGSLineSearch: 2 18:24:25 -301.141323 0.007567 LBFGSLineSearch: 3 18:24:25 -301.141325 0.004976 LBFGSLineSearch: 4 18:24:26 -301.141326 0.002430 LBFGSLineSearch: 5 18:24:26 -301.141326 0.001545 LBFGSLineSearch: 6 18:24:27 -301.141326 0.001268 LBFGSLineSearch: 7 18:24:27 -301.141326 0.001180 LBFGSLineSearch: 8 18:24:27 -301.141327 0.001675 LBFGSLineSearch: 9 18:24:28 -301.141327 0.001098 LBFGSLineSearch: 10 18:24:29 -301.141327 0.001379 LBFGSLineSearch: 11 18:24:29 -301.141328 0.000361 LBFGSLineSearch: 12 18:24:30 -301.141328 0.000320 LBFGSLineSearch: 13 18:24:30 -301.141328 0.000260 LBFGSLineSearch: 14 18:24:32 -301.141328 0.000094 LBFGSLineSearch: 15 18:24:32 -301.141328 0.000032 LBFGSLineSearch: 16 18:24:33 -301.141328 0.000017 LBFGSLineSearch: 17 18:24:33 -301.141328 0.000007 Minimization converged after 17 steps. Pressure: -134.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:24:40 -301.589607 0.032019 LBFGSLineSearch: 1 18:24:41 -301.589753 0.011996 LBFGSLineSearch: 2 18:24:41 -301.589779 0.007314 LBFGSLineSearch: 3 18:24:41 -301.589780 0.004204 LBFGSLineSearch: 4 18:24:41 -301.589781 0.002484 LBFGSLineSearch: 5 18:24:42 -301.589782 0.001782 LBFGSLineSearch: 6 18:24:43 -301.589782 0.001355 LBFGSLineSearch: 7 18:24:43 -301.589782 0.002093 LBFGSLineSearch: 8 18:24:43 -301.589783 0.001215 LBFGSLineSearch: 9 18:24:45 -301.589783 0.001164 LBFGSLineSearch: 10 18:24:45 -301.589784 0.000668 LBFGSLineSearch: 11 18:24:46 -301.589784 0.000324 LBFGSLineSearch: 12 18:24:48 -301.589784 0.000218 LBFGSLineSearch: 13 18:24:48 -301.589784 0.000120 LBFGSLineSearch: 14 18:24:49 -301.589784 0.000033 LBFGSLineSearch: 15 18:24:49 -301.589784 0.000011 LBFGSLineSearch: 16 18:24:49 -301.589784 0.000009 Minimization converged after 16 steps. Pressure: -134.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:24:55 -302.038414 0.032054 LBFGSLineSearch: 1 18:24:56 -302.038558 0.011064 LBFGSLineSearch: 2 18:24:56 -302.038583 0.007598 LBFGSLineSearch: 3 18:24:57 -302.038584 0.004810 LBFGSLineSearch: 4 18:24:58 -302.038585 0.002467 LBFGSLineSearch: 5 18:24:58 -302.038586 0.001575 LBFGSLineSearch: 6 18:24:59 -302.038586 0.001281 LBFGSLineSearch: 7 18:25:00 -302.038586 0.001182 LBFGSLineSearch: 8 18:25:00 -302.038586 0.001690 LBFGSLineSearch: 9 18:25:01 -302.038587 0.001084 LBFGSLineSearch: 10 18:25:01 -302.038587 0.001418 LBFGSLineSearch: 11 18:25:01 -302.038587 0.000374 LBFGSLineSearch: 12 18:25:02 -302.038587 0.000326 LBFGSLineSearch: 13 18:25:02 -302.038587 0.000255 LBFGSLineSearch: 14 18:25:02 -302.038587 0.000097 LBFGSLineSearch: 15 18:25:03 -302.038587 0.000032 LBFGSLineSearch: 16 18:25:03 -302.038587 0.000020 LBFGSLineSearch: 17 18:25:03 -302.038587 0.000008 Minimization converged after 17 steps. Pressure: -135.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:25:08 -302.487564 0.032070 LBFGSLineSearch: 1 18:25:10 -302.487712 0.011802 LBFGSLineSearch: 2 18:25:10 -302.487741 0.008425 LBFGSLineSearch: 3 18:25:11 -302.487742 0.005660 LBFGSLineSearch: 4 18:25:11 -302.487744 0.002819 LBFGSLineSearch: 5 18:25:12 -302.487744 0.002072 LBFGSLineSearch: 6 18:25:12 -302.487745 0.001817 LBFGSLineSearch: 7 18:25:12 -302.487745 0.001367 LBFGSLineSearch: 8 18:25:13 -302.487745 0.001908 LBFGSLineSearch: 9 18:25:15 -302.487746 0.001263 LBFGSLineSearch: 10 18:25:17 -302.487746 0.001028 LBFGSLineSearch: 11 18:25:19 -302.487746 0.000746 LBFGSLineSearch: 12 18:25:22 -302.487746 0.000696 LBFGSLineSearch: 13 18:25:23 -302.487746 0.000475 LBFGSLineSearch: 14 18:25:24 -302.487746 0.000212 LBFGSLineSearch: 15 18:25:25 -302.487746 0.000134 LBFGSLineSearch: 16 18:25:26 -302.487746 0.000112 LBFGSLineSearch: 17 18:25:26 -302.487746 0.000044 LBFGSLineSearch: 18 18:25:26 -302.487746 0.000003 Minimization converged after 18 steps. Pressure: -135.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:25:31 -302.937082 0.032098 LBFGSLineSearch: 1 18:25:33 -302.937228 0.011394 LBFGSLineSearch: 2 18:25:34 -302.937254 0.007723 LBFGSLineSearch: 3 18:25:35 -302.937255 0.004810 LBFGSLineSearch: 4 18:25:36 -302.937257 0.002510 LBFGSLineSearch: 5 18:25:37 -302.937257 0.001610 LBFGSLineSearch: 6 18:25:38 -302.937257 0.001298 LBFGSLineSearch: 7 18:25:38 -302.937257 0.001190 LBFGSLineSearch: 8 18:25:38 -302.937257 0.001699 LBFGSLineSearch: 9 18:25:38 -302.937258 0.001088 LBFGSLineSearch: 10 18:25:38 -302.937258 0.001386 LBFGSLineSearch: 11 18:25:39 -302.937258 0.000398 LBFGSLineSearch: 12 18:25:39 -302.937258 0.000343 LBFGSLineSearch: 13 18:25:39 -302.937258 0.000252 LBFGSLineSearch: 14 18:25:39 -302.937258 0.000099 LBFGSLineSearch: 15 18:25:39 -302.937258 0.000033 LBFGSLineSearch: 16 18:25:39 -302.937258 0.000019 LBFGSLineSearch: 17 18:25:40 -302.937258 0.000014 LBFGSLineSearch: 18 18:25:40 -302.937258 0.000000 Minimization converged after 18 steps. Pressure: -136.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:25:45 -303.386948 0.032121 LBFGSLineSearch: 1 18:25:45 -303.387094 0.011562 LBFGSLineSearch: 2 18:25:46 -303.387121 0.007757 LBFGSLineSearch: 3 18:25:47 -303.387123 0.004762 LBFGSLineSearch: 4 18:25:47 -303.387124 0.002530 LBFGSLineSearch: 5 18:25:48 -303.387124 0.001627 LBFGSLineSearch: 6 18:25:48 -303.387125 0.001306 LBFGSLineSearch: 7 18:25:48 -303.387125 0.001192 LBFGSLineSearch: 8 18:25:48 -303.387125 0.001702 LBFGSLineSearch: 9 18:25:48 -303.387125 0.001083 LBFGSLineSearch: 10 18:25:49 -303.387125 0.001391 LBFGSLineSearch: 11 18:25:49 -303.387126 0.000407 LBFGSLineSearch: 12 18:25:51 -303.387126 0.000349 LBFGSLineSearch: 13 18:25:51 -303.387126 0.000292 LBFGSLineSearch: 14 18:25:53 -303.387126 0.000161 LBFGSLineSearch: 15 18:25:54 -303.387126 0.000065 LBFGSLineSearch: 16 18:25:54 -303.387126 0.000032 LBFGSLineSearch: 17 18:25:54 -303.387126 0.000025 LBFGSLineSearch: 18 18:25:55 -303.387126 0.000017 LBFGSLineSearch: 19 18:25:56 -303.387126 0.000004 Minimization converged after 19 steps. Pressure: -136.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:26:02 -303.837172 0.032147 LBFGSLineSearch: 1 18:26:02 -303.837320 0.011732 LBFGSLineSearch: 2 18:26:02 -303.837348 0.007797 LBFGSLineSearch: 3 18:26:02 -303.837349 0.004740 LBFGSLineSearch: 4 18:26:03 -303.837351 0.002551 LBFGSLineSearch: 5 18:26:03 -303.837351 0.001646 LBFGSLineSearch: 6 18:26:03 -303.837351 0.001314 LBFGSLineSearch: 7 18:26:04 -303.837351 0.001195 LBFGSLineSearch: 8 18:26:05 -303.837351 0.001705 LBFGSLineSearch: 9 18:26:05 -303.837352 0.001081 LBFGSLineSearch: 10 18:26:06 -303.837352 0.001389 LBFGSLineSearch: 11 18:26:06 -303.837352 0.000418 LBFGSLineSearch: 12 18:26:06 -303.837352 0.000354 LBFGSLineSearch: 13 18:26:07 -303.837352 0.000262 LBFGSLineSearch: 14 18:26:08 -303.837352 0.000115 LBFGSLineSearch: 15 18:26:08 -303.837352 0.000036 LBFGSLineSearch: 16 18:26:09 -303.837352 0.000023 LBFGSLineSearch: 17 18:26:10 -303.837352 0.000021 LBFGSLineSearch: 18 18:26:10 -303.837352 0.000002 Minimization converged after 18 steps. Pressure: -137.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:26:16 -304.287760 0.032171 LBFGSLineSearch: 1 18:26:17 -304.287908 0.011902 LBFGSLineSearch: 2 18:26:18 -304.287937 0.007872 LBFGSLineSearch: 3 18:26:19 -304.287939 0.004773 LBFGSLineSearch: 4 18:26:19 -304.287940 0.002572 LBFGSLineSearch: 5 18:26:19 -304.287940 0.001663 LBFGSLineSearch: 6 18:26:21 -304.287940 0.001322 LBFGSLineSearch: 7 18:26:23 -304.287941 0.001201 LBFGSLineSearch: 8 18:26:23 -304.287941 0.001707 LBFGSLineSearch: 9 18:26:24 -304.287941 0.001082 LBFGSLineSearch: 10 18:26:24 -304.287941 0.001374 LBFGSLineSearch: 11 18:26:24 -304.287942 0.000433 LBFGSLineSearch: 12 18:26:24 -304.287942 0.000360 LBFGSLineSearch: 13 18:26:25 -304.287942 0.000250 LBFGSLineSearch: 14 18:26:25 -304.287942 0.000232 LBFGSLineSearch: 15 18:26:25 -304.287942 0.000034 LBFGSLineSearch: 16 18:26:25 -304.287942 0.000030 LBFGSLineSearch: 17 18:26:26 -304.287942 0.000020 LBFGSLineSearch: 18 18:26:26 -304.287942 0.000003 Minimization converged after 18 steps. Pressure: -137.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:26:31 -304.738714 0.032197 LBFGSLineSearch: 1 18:26:31 -304.738864 0.013510 LBFGSLineSearch: 2 18:26:32 -304.738896 0.008236 LBFGSLineSearch: 3 18:26:32 -304.738898 0.004680 LBFGSLineSearch: 4 18:26:33 -304.738899 0.002714 LBFGSLineSearch: 5 18:26:34 -304.738900 0.001936 LBFGSLineSearch: 6 18:26:35 -304.738900 0.001340 LBFGSLineSearch: 7 18:26:36 -304.738900 0.001953 LBFGSLineSearch: 8 18:26:36 -304.738901 0.001916 LBFGSLineSearch: 9 18:26:37 -304.738901 0.001677 LBFGSLineSearch: 10 18:26:37 -304.738902 0.000843 LBFGSLineSearch: 11 18:26:37 -304.738902 0.000441 LBFGSLineSearch: 12 18:26:37 -304.738902 0.000165 LBFGSLineSearch: 13 18:26:38 -304.738902 0.000153 LBFGSLineSearch: 14 18:26:38 -304.738902 0.000141 LBFGSLineSearch: 15 18:26:39 -304.738902 0.000023 LBFGSLineSearch: 16 18:26:39 -304.738902 0.000008 Minimization converged after 16 steps. Pressure: -138.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:26:45 -305.190050 0.032227 LBFGSLineSearch: 1 18:26:45 -305.190203 0.013187 LBFGSLineSearch: 2 18:26:45 -305.190236 0.008069 LBFGSLineSearch: 3 18:26:45 -305.190239 0.005025 LBFGSLineSearch: 4 18:26:46 -305.190240 0.003094 LBFGSLineSearch: 5 18:26:46 -305.190241 0.002176 LBFGSLineSearch: 6 18:26:46 -305.190241 0.002000 LBFGSLineSearch: 7 18:26:46 -305.190241 0.001875 LBFGSLineSearch: 8 18:26:46 -305.190242 0.002503 LBFGSLineSearch: 9 18:26:46 -305.190242 0.000923 LBFGSLineSearch: 10 18:26:47 -305.190242 0.002232 LBFGSLineSearch: 11 18:26:47 -305.190243 0.000769 LBFGSLineSearch: 12 18:26:48 -305.190243 0.000772 LBFGSLineSearch: 13 18:26:49 -305.190243 0.000500 LBFGSLineSearch: 14 18:26:49 -305.190243 0.000260 LBFGSLineSearch: 15 18:26:50 -305.190243 0.000112 LBFGSLineSearch: 16 18:26:50 -305.190243 0.000111 LBFGSLineSearch: 17 18:26:50 -305.190243 0.000040 LBFGSLineSearch: 18 18:26:50 -305.190243 0.000017 LBFGSLineSearch: 19 18:26:50 -305.190243 0.000001 Minimization converged after 19 steps. Pressure: -138.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:26:57 -305.641771 0.032252 LBFGSLineSearch: 1 18:26:58 -305.641922 0.012423 LBFGSLineSearch: 2 18:26:58 -305.641954 0.008009 LBFGSLineSearch: 3 18:26:58 -305.641956 0.004722 LBFGSLineSearch: 4 18:26:58 -305.641957 0.002640 LBFGSLineSearch: 5 18:26:58 -305.641958 0.001725 LBFGSLineSearch: 6 18:26:58 -305.641958 0.001348 LBFGSLineSearch: 7 18:26:58 -305.641958 0.001213 LBFGSLineSearch: 8 18:26:58 -305.641958 0.001710 LBFGSLineSearch: 9 18:26:59 -305.641959 0.001075 LBFGSLineSearch: 10 18:27:00 -305.641959 0.001414 LBFGSLineSearch: 11 18:27:00 -305.641959 0.000475 LBFGSLineSearch: 12 18:27:00 -305.641959 0.000376 LBFGSLineSearch: 13 18:27:01 -305.641959 0.000340 LBFGSLineSearch: 14 18:27:02 -305.641959 0.000127 LBFGSLineSearch: 15 18:27:03 -305.641959 0.000036 LBFGSLineSearch: 16 18:27:04 -305.641959 0.000029 LBFGSLineSearch: 17 18:27:05 -305.641959 0.000020 LBFGSLineSearch: 18 18:27:06 -305.641959 0.000000 Minimization converged after 18 steps. Pressure: -139.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:27:11 -306.093864 0.032279 LBFGSLineSearch: 1 18:27:12 -306.094015 0.012598 LBFGSLineSearch: 2 18:27:12 -306.094049 0.008071 LBFGSLineSearch: 3 18:27:12 -306.094052 0.004702 LBFGSLineSearch: 4 18:27:12 -306.094054 0.003770 LBFGSLineSearch: 5 18:27:12 -306.094054 0.002461 LBFGSLineSearch: 6 18:27:12 -306.094055 0.001787 LBFGSLineSearch: 7 18:27:13 -306.094055 0.002240 LBFGSLineSearch: 8 18:27:13 -306.094056 0.002475 LBFGSLineSearch: 9 18:27:13 -306.094056 0.001229 LBFGSLineSearch: 10 18:27:13 -306.094057 0.002830 LBFGSLineSearch: 11 18:27:14 -306.094058 0.000761 LBFGSLineSearch: 12 18:27:14 -306.094058 0.000335 LBFGSLineSearch: 13 18:27:14 -306.094058 0.000303 LBFGSLineSearch: 14 18:27:14 -306.094058 0.000255 LBFGSLineSearch: 15 18:27:14 -306.094058 0.000157 LBFGSLineSearch: 16 18:27:15 -306.094058 0.000061 LBFGSLineSearch: 17 18:27:15 -306.094058 0.000055 LBFGSLineSearch: 18 18:27:15 -306.094058 0.000036 LBFGSLineSearch: 19 18:27:16 -306.094058 0.000026 LBFGSLineSearch: 20 18:27:17 -306.094058 0.000005 Minimization converged after 20 steps. Pressure: -139.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:27:22 -306.546353 0.032309 LBFGSLineSearch: 1 18:27:23 -306.546505 0.012780 LBFGSLineSearch: 2 18:27:24 -306.546540 0.008119 LBFGSLineSearch: 3 18:27:25 -306.546542 0.004711 LBFGSLineSearch: 4 18:27:26 -306.546543 0.002690 LBFGSLineSearch: 5 18:27:26 -306.546544 0.001768 LBFGSLineSearch: 6 18:27:27 -306.546544 0.001365 LBFGSLineSearch: 7 18:27:28 -306.546544 0.001223 LBFGSLineSearch: 8 18:27:30 -306.546544 0.001703 LBFGSLineSearch: 9 18:27:31 -306.546545 0.001074 LBFGSLineSearch: 10 18:27:32 -306.546545 0.001433 LBFGSLineSearch: 11 18:27:32 -306.546545 0.000509 LBFGSLineSearch: 12 18:27:32 -306.546545 0.000384 LBFGSLineSearch: 13 18:27:32 -306.546545 0.000314 LBFGSLineSearch: 14 18:27:32 -306.546545 0.000335 LBFGSLineSearch: 15 18:27:32 -306.546545 0.000059 LBFGSLineSearch: 16 18:27:32 -306.546545 0.000032 LBFGSLineSearch: 17 18:27:33 -306.546545 0.000025 LBFGSLineSearch: 18 18:27:33 -306.546545 0.000005 Minimization converged after 18 steps. Pressure: -140.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:27:38 -306.999226 0.032331 LBFGSLineSearch: 1 18:27:39 -306.999379 0.012956 LBFGSLineSearch: 2 18:27:40 -306.999416 0.008223 LBFGSLineSearch: 3 18:27:41 -306.999420 0.005697 LBFGSLineSearch: 4 18:27:41 -306.999422 0.005246 LBFGSLineSearch: 5 18:27:42 -306.999423 0.003890 LBFGSLineSearch: 6 18:27:43 -306.999424 0.003852 LBFGSLineSearch: 7 18:27:44 -306.999426 0.002777 LBFGSLineSearch: 8 18:27:45 -306.999428 0.003699 LBFGSLineSearch: 9 18:27:46 -306.999428 0.001303 LBFGSLineSearch: 10 18:27:46 -306.999429 0.002334 LBFGSLineSearch: 11 18:27:47 -306.999429 0.001897 LBFGSLineSearch: 12 18:27:47 -306.999430 0.000968 LBFGSLineSearch: 13 18:27:48 -306.999430 0.000890 LBFGSLineSearch: 14 18:27:48 -306.999430 0.000830 LBFGSLineSearch: 15 18:27:49 -306.999430 0.000464 LBFGSLineSearch: 16 18:27:50 -306.999430 0.000187 LBFGSLineSearch: 17 18:27:51 -306.999430 0.000111 LBFGSLineSearch: 18 18:27:52 -306.999430 0.000090 LBFGSLineSearch: 19 18:27:52 -306.999430 0.000052 LBFGSLineSearch: 20 18:27:53 -306.999430 0.000010 LBFGSLineSearch: 21 18:27:54 -306.999430 0.000000 Minimization converged after 21 steps. Pressure: -140.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:27:58 -307.452522 0.032364 LBFGSLineSearch: 1 18:27:59 -307.452676 0.013139 LBFGSLineSearch: 2 18:27:59 -307.452714 0.008561 LBFGSLineSearch: 3 18:27:59 -307.452717 0.005107 LBFGSLineSearch: 4 18:27:59 -307.452719 0.003171 LBFGSLineSearch: 5 18:28:00 -307.452719 0.002006 LBFGSLineSearch: 6 18:28:00 -307.452719 0.001583 LBFGSLineSearch: 7 18:28:00 -307.452720 0.001672 LBFGSLineSearch: 8 18:28:00 -307.452720 0.001398 LBFGSLineSearch: 9 18:28:01 -307.452721 0.000820 LBFGSLineSearch: 10 18:28:02 -307.452721 0.001348 LBFGSLineSearch: 11 18:28:03 -307.452721 0.000540 LBFGSLineSearch: 12 18:28:04 -307.452721 0.000639 LBFGSLineSearch: 13 18:28:06 -307.452721 0.000563 LBFGSLineSearch: 14 18:28:08 -307.452721 0.000177 LBFGSLineSearch: 15 18:28:09 -307.452721 0.000161 LBFGSLineSearch: 16 18:28:10 -307.452721 0.000120 LBFGSLineSearch: 17 18:28:11 -307.452721 0.000090 LBFGSLineSearch: 18 18:28:11 -307.452721 0.000017 LBFGSLineSearch: 19 18:28:12 -307.452721 0.000000 Minimization converged after 19 steps. Pressure: -141.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:28:18 -307.906216 0.032392 LBFGSLineSearch: 1 18:28:18 -307.906371 0.013321 LBFGSLineSearch: 2 18:28:18 -307.906408 0.008319 LBFGSLineSearch: 3 18:28:19 -307.906411 0.004730 LBFGSLineSearch: 4 18:28:20 -307.906412 0.002767 LBFGSLineSearch: 5 18:28:21 -307.906413 0.001839 LBFGSLineSearch: 6 18:28:22 -307.906413 0.001396 LBFGSLineSearch: 7 18:28:23 -307.906413 0.001247 LBFGSLineSearch: 8 18:28:23 -307.906413 0.001694 LBFGSLineSearch: 9 18:28:24 -307.906414 0.001070 LBFGSLineSearch: 10 18:28:25 -307.906414 0.001467 LBFGSLineSearch: 11 18:28:26 -307.906414 0.000569 LBFGSLineSearch: 12 18:28:27 -307.906414 0.000392 LBFGSLineSearch: 13 18:28:27 -307.906414 0.000355 LBFGSLineSearch: 14 18:28:28 -307.906414 0.000310 LBFGSLineSearch: 15 18:28:28 -307.906414 0.000083 LBFGSLineSearch: 16 18:28:29 -307.906414 0.000033 LBFGSLineSearch: 17 18:28:30 -307.906414 0.000027 LBFGSLineSearch: 18 18:28:31 -307.906414 0.000009 Minimization converged after 18 steps. Pressure: -141.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:28:37 -308.360307 0.032416 LBFGSLineSearch: 1 18:28:38 -308.360463 0.013503 LBFGSLineSearch: 2 18:28:38 -308.360509 0.007048 LBFGSLineSearch: 3 18:28:38 -308.360512 0.004929 LBFGSLineSearch: 4 18:28:38 -308.360514 0.004868 LBFGSLineSearch: 5 18:28:38 -308.360515 0.003383 LBFGSLineSearch: 6 18:28:39 -308.360515 0.002629 LBFGSLineSearch: 7 18:28:39 -308.360516 0.002494 LBFGSLineSearch: 8 18:28:39 -308.360518 0.003264 LBFGSLineSearch: 9 18:28:39 -308.360518 0.001383 LBFGSLineSearch: 10 18:28:40 -308.360519 0.002524 LBFGSLineSearch: 11 18:28:40 -308.360520 0.001385 LBFGSLineSearch: 12 18:28:41 -308.360520 0.001002 LBFGSLineSearch: 13 18:28:43 -308.360520 0.000904 LBFGSLineSearch: 14 18:28:44 -308.360520 0.000561 LBFGSLineSearch: 15 18:28:44 -308.360520 0.000256 LBFGSLineSearch: 16 18:28:44 -308.360520 0.000151 LBFGSLineSearch: 17 18:28:44 -308.360520 0.000130 LBFGSLineSearch: 18 18:28:44 -308.360520 0.000077 LBFGSLineSearch: 19 18:28:44 -308.360520 0.000032 LBFGSLineSearch: 20 18:28:44 -308.360520 0.000003 Minimization converged after 20 steps. Pressure: -142.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:28:50 -308.814838 0.032451 LBFGSLineSearch: 1 18:28:51 -308.814994 0.013696 LBFGSLineSearch: 2 18:28:52 -308.815035 0.008460 LBFGSLineSearch: 3 18:28:54 -308.815037 0.004750 LBFGSLineSearch: 4 18:28:55 -308.815039 0.002822 LBFGSLineSearch: 5 18:28:55 -308.815039 0.001890 LBFGSLineSearch: 6 18:28:56 -308.815040 0.001418 LBFGSLineSearch: 7 18:28:57 -308.815040 0.001265 LBFGSLineSearch: 8 18:28:59 -308.815040 0.001704 LBFGSLineSearch: 9 18:28:59 -308.815040 0.001068 LBFGSLineSearch: 10 18:29:00 -308.815041 0.001487 LBFGSLineSearch: 11 18:29:00 -308.815041 0.000613 LBFGSLineSearch: 12 18:29:00 -308.815041 0.000393 LBFGSLineSearch: 13 18:29:00 -308.815041 0.000381 LBFGSLineSearch: 14 18:29:00 -308.815041 0.000415 LBFGSLineSearch: 15 18:29:00 -308.815041 0.000132 LBFGSLineSearch: 16 18:29:00 -308.815041 0.000047 LBFGSLineSearch: 17 18:29:01 -308.815041 0.000029 LBFGSLineSearch: 18 18:29:01 -308.815041 0.000023 LBFGSLineSearch: 19 18:29:01 -308.815041 0.000001 Minimization converged after 19 steps. Pressure: -142.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:29:09 -309.269766 0.032479 LBFGSLineSearch: 1 18:29:09 -309.269924 0.013877 LBFGSLineSearch: 2 18:29:10 -309.269966 0.008533 LBFGSLineSearch: 3 18:29:10 -309.269969 0.004773 LBFGSLineSearch: 4 18:29:10 -309.269970 0.002851 LBFGSLineSearch: 5 18:29:10 -309.269971 0.001915 LBFGSLineSearch: 6 18:29:10 -309.269971 0.001429 LBFGSLineSearch: 7 18:29:10 -309.269971 0.001460 LBFGSLineSearch: 8 18:29:12 -309.269971 0.001473 LBFGSLineSearch: 9 18:29:12 -309.269972 0.000827 LBFGSLineSearch: 10 18:29:13 -309.269972 0.001622 LBFGSLineSearch: 11 18:29:14 -309.269972 0.000568 LBFGSLineSearch: 12 18:29:14 -309.269972 0.000411 LBFGSLineSearch: 13 18:29:15 -309.269972 0.000383 LBFGSLineSearch: 14 18:29:15 -309.269972 0.000428 LBFGSLineSearch: 15 18:29:15 -309.269972 0.000125 LBFGSLineSearch: 16 18:29:16 -309.269972 0.000039 LBFGSLineSearch: 17 18:29:16 -309.269972 0.000028 LBFGSLineSearch: 18 18:29:17 -309.269972 0.000011 LBFGSLineSearch: 19 18:29:17 -309.269972 0.000000 Minimization converged after 19 steps. Pressure: -143.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:29:23 -309.725111 0.032510 LBFGSLineSearch: 1 18:29:24 -309.725269 0.014063 LBFGSLineSearch: 2 18:29:24 -309.725316 0.008600 LBFGSLineSearch: 3 18:29:24 -309.725320 0.004773 LBFGSLineSearch: 4 18:29:25 -309.725322 0.003858 LBFGSLineSearch: 5 18:29:25 -309.725322 0.002557 LBFGSLineSearch: 6 18:29:26 -309.725323 0.001799 LBFGSLineSearch: 7 18:29:26 -309.725323 0.002105 LBFGSLineSearch: 8 18:29:26 -309.725324 0.002077 LBFGSLineSearch: 9 18:29:26 -309.725324 0.001117 LBFGSLineSearch: 10 18:29:28 -309.725325 0.002456 LBFGSLineSearch: 11 18:29:29 -309.725326 0.000778 LBFGSLineSearch: 12 18:29:29 -309.725326 0.000474 LBFGSLineSearch: 13 18:29:30 -309.725326 0.000464 LBFGSLineSearch: 14 18:29:30 -309.725326 0.000400 LBFGSLineSearch: 15 18:29:31 -309.725326 0.000388 LBFGSLineSearch: 16 18:29:32 -309.725326 0.000075 LBFGSLineSearch: 17 18:29:32 -309.725326 0.000059 LBFGSLineSearch: 18 18:29:33 -309.725326 0.000045 LBFGSLineSearch: 19 18:29:33 -309.725326 0.000013 LBFGSLineSearch: 20 18:29:33 -309.725326 0.000002 Minimization converged after 20 steps. Pressure: -143.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:29:38 -310.180893 0.032540 LBFGSLineSearch: 1 18:29:39 -310.181052 0.014257 LBFGSLineSearch: 2 18:29:39 -310.181097 0.008686 LBFGSLineSearch: 3 18:29:40 -310.181100 0.004813 LBFGSLineSearch: 4 18:29:40 -310.181102 0.002909 LBFGSLineSearch: 5 18:29:41 -310.181103 0.001968 LBFGSLineSearch: 6 18:29:42 -310.181103 0.001453 LBFGSLineSearch: 7 18:29:43 -310.181103 0.001460 LBFGSLineSearch: 8 18:29:44 -310.181103 0.001461 LBFGSLineSearch: 9 18:29:45 -310.181104 0.000836 LBFGSLineSearch: 10 18:29:46 -310.181104 0.001557 LBFGSLineSearch: 11 18:29:46 -310.181104 0.000604 LBFGSLineSearch: 12 18:29:48 -310.181104 0.000417 LBFGSLineSearch: 13 18:29:50 -310.181104 0.000399 LBFGSLineSearch: 14 18:29:52 -310.181104 0.000426 LBFGSLineSearch: 15 18:29:55 -310.181104 0.000149 LBFGSLineSearch: 16 18:29:56 -310.181104 0.000042 LBFGSLineSearch: 17 18:29:57 -310.181104 0.000030 LBFGSLineSearch: 18 18:29:57 -310.181104 0.000016 LBFGSLineSearch: 19 18:29:57 -310.181104 0.000000 Minimization converged after 19 steps. Pressure: -144.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:30:03 -310.637095 0.032571 LBFGSLineSearch: 1 18:30:05 -310.637255 0.014445 LBFGSLineSearch: 2 18:30:06 -310.637302 0.008758 LBFGSLineSearch: 3 18:30:07 -310.637305 0.004830 LBFGSLineSearch: 4 18:30:08 -310.637307 0.002939 LBFGSLineSearch: 5 18:30:09 -310.637307 0.001997 LBFGSLineSearch: 6 18:30:09 -310.637307 0.001467 LBFGSLineSearch: 7 18:30:10 -310.637308 0.001460 LBFGSLineSearch: 8 18:30:11 -310.637308 0.001457 LBFGSLineSearch: 9 18:30:12 -310.637308 0.000841 LBFGSLineSearch: 10 18:30:13 -310.637309 0.001525 LBFGSLineSearch: 11 18:30:14 -310.637309 0.000622 LBFGSLineSearch: 12 18:30:15 -310.637309 0.000420 LBFGSLineSearch: 13 18:30:15 -310.637309 0.000407 LBFGSLineSearch: 14 18:30:16 -310.637309 0.000424 LBFGSLineSearch: 15 18:30:16 -310.637309 0.000163 LBFGSLineSearch: 16 18:30:18 -310.637309 0.000043 LBFGSLineSearch: 17 18:30:19 -310.637309 0.000031 LBFGSLineSearch: 18 18:30:21 -310.637309 0.000017 LBFGSLineSearch: 19 18:30:22 -310.637309 0.000001 Minimization converged after 19 steps. Pressure: -144.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:30:29 -311.093729 0.032601 LBFGSLineSearch: 1 18:30:30 -311.093892 0.014690 LBFGSLineSearch: 2 18:30:30 -311.093945 0.009170 LBFGSLineSearch: 3 18:30:31 -311.093948 0.004760 LBFGSLineSearch: 4 18:30:31 -311.093950 0.002742 LBFGSLineSearch: 5 18:30:32 -311.093951 0.001497 LBFGSLineSearch: 6 18:30:34 -311.093951 0.001231 LBFGSLineSearch: 7 18:30:35 -311.093951 0.000906 LBFGSLineSearch: 8 18:30:36 -311.093951 0.000883 LBFGSLineSearch: 9 18:30:36 -311.093951 0.000463 LBFGSLineSearch: 10 18:30:37 -311.093951 0.000686 LBFGSLineSearch: 11 18:30:37 -311.093951 0.000435 LBFGSLineSearch: 12 18:30:37 -311.093951 0.000295 LBFGSLineSearch: 13 18:30:37 -311.093951 0.000343 LBFGSLineSearch: 14 18:30:37 -311.093951 0.000344 LBFGSLineSearch: 15 18:30:38 -311.093951 0.000149 LBFGSLineSearch: 16 18:30:38 -311.093951 0.000093 LBFGSLineSearch: 17 18:30:38 -311.093951 0.000067 LBFGSLineSearch: 18 18:30:38 -311.093951 0.000018 LBFGSLineSearch: 19 18:30:39 -311.093951 0.000001 Minimization converged after 19 steps. Pressure: -145.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:30:44 -311.550813 0.032633 LBFGSLineSearch: 1 18:30:45 -311.550975 0.014831 LBFGSLineSearch: 2 18:30:45 -311.551029 0.008927 LBFGSLineSearch: 3 18:30:46 -311.551033 0.005180 LBFGSLineSearch: 4 18:30:47 -311.551035 0.002742 LBFGSLineSearch: 5 18:30:47 -311.551035 0.001547 LBFGSLineSearch: 6 18:30:48 -311.551036 0.001485 LBFGSLineSearch: 7 18:30:49 -311.551036 0.001222 LBFGSLineSearch: 8 18:30:50 -311.551036 0.000772 LBFGSLineSearch: 9 18:30:50 -311.551036 0.000642 LBFGSLineSearch: 10 18:30:51 -311.551036 0.000520 LBFGSLineSearch: 11 18:30:51 -311.551036 0.000461 LBFGSLineSearch: 12 18:30:51 -311.551036 0.000409 LBFGSLineSearch: 13 18:30:51 -311.551036 0.000353 LBFGSLineSearch: 14 18:30:51 -311.551036 0.000348 LBFGSLineSearch: 15 18:30:51 -311.551036 0.000386 LBFGSLineSearch: 16 18:30:52 -311.551036 0.000168 LBFGSLineSearch: 17 18:30:53 -311.551036 0.000064 LBFGSLineSearch: 18 18:30:53 -311.551036 0.000024 LBFGSLineSearch: 19 18:30:53 -311.551036 0.000020 LBFGSLineSearch: 20 18:30:54 -311.551036 0.000014 LBFGSLineSearch: 21 18:30:55 -311.551036 0.000000 Minimization converged after 21 steps. Pressure: -145.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:31:00 -312.008346 0.032665 LBFGSLineSearch: 1 18:31:00 -312.008509 0.015027 LBFGSLineSearch: 2 18:31:00 -312.008561 0.009018 LBFGSLineSearch: 3 18:31:01 -312.008564 0.004938 LBFGSLineSearch: 4 18:31:01 -312.008566 0.003039 LBFGSLineSearch: 5 18:31:01 -312.008567 0.002088 LBFGSLineSearch: 6 18:31:01 -312.008567 0.001515 LBFGSLineSearch: 7 18:31:01 -312.008567 0.001446 LBFGSLineSearch: 8 18:31:02 -312.008568 0.001449 LBFGSLineSearch: 9 18:31:03 -312.008568 0.000858 LBFGSLineSearch: 10 18:31:04 -312.008568 0.001441 LBFGSLineSearch: 11 18:31:04 -312.008569 0.000680 LBFGSLineSearch: 12 18:31:05 -312.008569 0.000428 LBFGSLineSearch: 13 18:31:06 -312.008569 0.000436 LBFGSLineSearch: 14 18:31:07 -312.008569 0.000415 LBFGSLineSearch: 15 18:31:09 -312.008569 0.000207 LBFGSLineSearch: 16 18:31:11 -312.008569 0.000050 LBFGSLineSearch: 17 18:31:12 -312.008569 0.000036 LBFGSLineSearch: 18 18:31:13 -312.008569 0.000026 LBFGSLineSearch: 19 18:31:13 -312.008569 0.000006 Minimization converged after 19 steps. Pressure: -146.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:31:18 -312.466325 0.032694 LBFGSLineSearch: 1 18:31:19 -312.466489 0.015220 LBFGSLineSearch: 2 18:31:20 -312.466543 0.009128 LBFGSLineSearch: 3 18:31:21 -312.466546 0.005014 LBFGSLineSearch: 4 18:31:21 -312.466548 0.003074 LBFGSLineSearch: 5 18:31:21 -312.466549 0.002116 LBFGSLineSearch: 6 18:31:21 -312.466549 0.001528 LBFGSLineSearch: 7 18:31:22 -312.466549 0.001441 LBFGSLineSearch: 8 18:31:22 -312.466550 0.001455 LBFGSLineSearch: 9 18:31:23 -312.466550 0.000861 LBFGSLineSearch: 10 18:31:23 -312.466550 0.001421 LBFGSLineSearch: 11 18:31:23 -312.466551 0.000698 LBFGSLineSearch: 12 18:31:23 -312.466551 0.000429 LBFGSLineSearch: 13 18:31:23 -312.466551 0.000444 LBFGSLineSearch: 14 18:31:24 -312.466551 0.000409 LBFGSLineSearch: 15 18:31:25 -312.466551 0.000222 LBFGSLineSearch: 16 18:31:25 -312.466551 0.000067 LBFGSLineSearch: 17 18:31:26 -312.466551 0.000041 LBFGSLineSearch: 18 18:31:27 -312.466551 0.000031 LBFGSLineSearch: 19 18:31:29 -312.466551 0.000009 Minimization converged after 19 steps. Pressure: -146.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:31:34 -312.924760 0.032725 LBFGSLineSearch: 1 18:31:35 -312.924925 0.015419 LBFGSLineSearch: 2 18:31:36 -312.924981 0.010219 LBFGSLineSearch: 3 18:31:37 -312.924988 0.005957 LBFGSLineSearch: 4 18:31:38 -312.924990 0.004585 LBFGSLineSearch: 5 18:31:39 -312.924992 0.003038 LBFGSLineSearch: 6 18:31:39 -312.924992 0.002979 LBFGSLineSearch: 7 18:31:40 -312.924993 0.002967 LBFGSLineSearch: 8 18:31:40 -312.924995 0.002272 LBFGSLineSearch: 9 18:31:40 -312.924995 0.001001 LBFGSLineSearch: 10 18:31:40 -312.924995 0.001204 LBFGSLineSearch: 11 18:31:40 -312.924995 0.001786 LBFGSLineSearch: 12 18:31:41 -312.924996 0.000610 LBFGSLineSearch: 13 18:31:41 -312.924996 0.000871 LBFGSLineSearch: 14 18:31:41 -312.924996 0.000621 LBFGSLineSearch: 15 18:31:42 -312.924996 0.000270 LBFGSLineSearch: 16 18:31:42 -312.924996 0.000317 LBFGSLineSearch: 17 18:31:42 -312.924996 0.000241 LBFGSLineSearch: 18 18:31:43 -312.924996 0.000179 LBFGSLineSearch: 19 18:31:43 -312.924996 0.000118 LBFGSLineSearch: 20 18:31:43 -312.924996 0.000021 LBFGSLineSearch: 21 18:31:43 -312.924996 0.000002 Minimization converged after 21 steps. Pressure: -147.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:31:49 -313.383690 0.032764 LBFGSLineSearch: 1 18:31:50 -313.383856 0.015627 LBFGSLineSearch: 2 18:31:51 -313.383913 0.009306 LBFGSLineSearch: 3 18:31:51 -313.383917 0.005087 LBFGSLineSearch: 4 18:31:51 -313.383919 0.003142 LBFGSLineSearch: 5 18:31:51 -313.383920 0.002182 LBFGSLineSearch: 6 18:31:51 -313.383920 0.001571 LBFGSLineSearch: 7 18:31:52 -313.383920 0.001414 LBFGSLineSearch: 8 18:31:52 -313.383921 0.001442 LBFGSLineSearch: 9 18:31:53 -313.383921 0.000874 LBFGSLineSearch: 10 18:31:53 -313.383921 0.001355 LBFGSLineSearch: 11 18:31:53 -313.383922 0.000740 LBFGSLineSearch: 12 18:31:53 -313.383922 0.000427 LBFGSLineSearch: 13 18:31:53 -313.383922 0.000462 LBFGSLineSearch: 14 18:31:54 -313.383922 0.000409 LBFGSLineSearch: 15 18:31:54 -313.383922 0.000258 LBFGSLineSearch: 16 18:31:54 -313.383922 0.000117 LBFGSLineSearch: 17 18:31:55 -313.383922 0.000046 LBFGSLineSearch: 18 18:31:56 -313.383922 0.000033 LBFGSLineSearch: 19 18:31:56 -313.383922 0.000017 LBFGSLineSearch: 20 18:31:57 -313.383922 0.000000 Minimization converged after 20 steps. Pressure: -147.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:32:04 -313.843081 0.032797 LBFGSLineSearch: 1 18:32:06 -313.843303 0.015960 LBFGSLineSearch: 2 18:32:07 -313.843322 0.009966 LBFGSLineSearch: 3 18:32:08 -313.843329 0.004446 LBFGSLineSearch: 4 18:32:09 -313.843331 0.004166 LBFGSLineSearch: 5 18:32:10 -313.843332 0.003834 LBFGSLineSearch: 6 18:32:10 -313.843332 0.003007 LBFGSLineSearch: 7 18:32:11 -313.843334 0.004382 LBFGSLineSearch: 8 18:32:11 -313.843336 0.002011 LBFGSLineSearch: 9 18:32:12 -313.843337 0.002131 LBFGSLineSearch: 10 18:32:13 -313.843338 0.002235 LBFGSLineSearch: 11 18:32:14 -313.843338 0.001197 LBFGSLineSearch: 12 18:32:14 -313.843339 0.001077 LBFGSLineSearch: 13 18:32:15 -313.843339 0.001075 LBFGSLineSearch: 14 18:32:15 -313.843339 0.000452 LBFGSLineSearch: 15 18:32:16 -313.843339 0.000160 LBFGSLineSearch: 16 18:32:16 -313.843339 0.000125 LBFGSLineSearch: 17 18:32:16 -313.843339 0.000082 LBFGSLineSearch: 18 18:32:17 -313.843339 0.000038 LBFGSLineSearch: 19 18:32:17 -313.843339 0.000000 Minimization converged after 19 steps. Pressure: -148.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:32:24 -314.302998 0.032833 LBFGSLineSearch: 1 18:32:25 -314.303166 0.016040 LBFGSLineSearch: 2 18:32:25 -314.303229 0.009512 LBFGSLineSearch: 3 18:32:26 -314.303235 0.005709 LBFGSLineSearch: 4 18:32:26 -314.303238 0.005189 LBFGSLineSearch: 5 18:32:26 -314.303239 0.003645 LBFGSLineSearch: 6 18:32:27 -314.303240 0.003989 LBFGSLineSearch: 7 18:32:28 -314.303242 0.003607 LBFGSLineSearch: 8 18:32:28 -314.303244 0.002700 LBFGSLineSearch: 9 18:32:28 -314.303244 0.001155 LBFGSLineSearch: 10 18:32:28 -314.303245 0.001513 LBFGSLineSearch: 11 18:32:28 -314.303245 0.001986 LBFGSLineSearch: 12 18:32:29 -314.303245 0.000889 LBFGSLineSearch: 13 18:32:29 -314.303246 0.001234 LBFGSLineSearch: 14 18:32:29 -314.303246 0.000672 LBFGSLineSearch: 15 18:32:30 -314.303246 0.000231 LBFGSLineSearch: 16 18:32:31 -314.303246 0.000255 LBFGSLineSearch: 17 18:32:32 -314.303246 0.000185 LBFGSLineSearch: 18 18:32:32 -314.303246 0.000084 LBFGSLineSearch: 19 18:32:32 -314.303246 0.000046 LBFGSLineSearch: 20 18:32:32 -314.303246 0.000014 LBFGSLineSearch: 21 18:32:33 -314.303246 0.000000 Minimization converged after 21 steps. Pressure: -148.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:32:38 -314.763410 0.032869 LBFGSLineSearch: 1 18:32:39 -314.763625 0.015707 LBFGSLineSearch: 2 18:32:40 -314.763643 0.009648 LBFGSLineSearch: 3 18:32:40 -314.763649 0.004688 LBFGSLineSearch: 4 18:32:40 -314.763650 0.003244 LBFGSLineSearch: 5 18:32:41 -314.763651 0.002311 LBFGSLineSearch: 6 18:32:41 -314.763651 0.001792 LBFGSLineSearch: 7 18:32:41 -314.763651 0.001654 LBFGSLineSearch: 8 18:32:42 -314.763652 0.001584 LBFGSLineSearch: 9 18:32:42 -314.763652 0.001364 LBFGSLineSearch: 10 18:32:42 -314.763653 0.001483 LBFGSLineSearch: 11 18:32:42 -314.763653 0.000517 LBFGSLineSearch: 12 18:32:43 -314.763653 0.000469 LBFGSLineSearch: 13 18:32:43 -314.763653 0.000440 LBFGSLineSearch: 14 18:32:43 -314.763653 0.000473 LBFGSLineSearch: 15 18:32:43 -314.763653 0.000190 LBFGSLineSearch: 16 18:32:43 -314.763653 0.000046 LBFGSLineSearch: 17 18:32:44 -314.763653 0.000035 LBFGSLineSearch: 18 18:32:44 -314.763653 0.000012 LBFGSLineSearch: 19 18:32:45 -314.763653 0.000001 Minimization converged after 19 steps. Pressure: -149.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:32:50 -315.224304 0.032904 LBFGSLineSearch: 1 18:32:52 -315.224523 0.015730 LBFGSLineSearch: 2 18:32:53 -315.224541 0.009759 LBFGSLineSearch: 3 18:32:55 -315.224547 0.004708 LBFGSLineSearch: 4 18:32:56 -315.224548 0.003286 LBFGSLineSearch: 5 18:32:56 -315.224549 0.002325 LBFGSLineSearch: 6 18:32:57 -315.224549 0.001802 LBFGSLineSearch: 7 18:32:58 -315.224550 0.001683 LBFGSLineSearch: 8 18:33:00 -315.224550 0.001596 LBFGSLineSearch: 9 18:33:01 -315.224551 0.001370 LBFGSLineSearch: 10 18:33:01 -315.224551 0.001466 LBFGSLineSearch: 11 18:33:01 -315.224551 0.000534 LBFGSLineSearch: 12 18:33:02 -315.224551 0.000477 LBFGSLineSearch: 13 18:33:02 -315.224551 0.000454 LBFGSLineSearch: 14 18:33:04 -315.224551 0.000474 LBFGSLineSearch: 15 18:33:05 -315.224551 0.000208 LBFGSLineSearch: 16 18:33:07 -315.224551 0.000134 LBFGSLineSearch: 17 18:33:07 -315.224551 0.000040 LBFGSLineSearch: 18 18:33:09 -315.224551 0.000026 LBFGSLineSearch: 19 18:33:10 -315.224551 0.000001 Minimization converged after 19 steps. Pressure: -149.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:33:17 -315.685698 0.032939 LBFGSLineSearch: 1 18:33:19 -315.685919 0.015899 LBFGSLineSearch: 2 18:33:19 -315.685938 0.009875 LBFGSLineSearch: 3 18:33:19 -315.685944 0.004749 LBFGSLineSearch: 4 18:33:19 -315.685945 0.003341 LBFGSLineSearch: 5 18:33:20 -315.685946 0.002355 LBFGSLineSearch: 6 18:33:21 -315.685946 0.001828 LBFGSLineSearch: 7 18:33:21 -315.685947 0.001703 LBFGSLineSearch: 8 18:33:22 -315.685948 0.001607 LBFGSLineSearch: 9 18:33:23 -315.685948 0.000910 LBFGSLineSearch: 10 18:33:23 -315.685948 0.001609 LBFGSLineSearch: 11 18:33:23 -315.685948 0.000750 LBFGSLineSearch: 12 18:33:23 -315.685948 0.000522 LBFGSLineSearch: 13 18:33:24 -315.685948 0.000471 LBFGSLineSearch: 14 18:33:24 -315.685949 0.000452 LBFGSLineSearch: 15 18:33:24 -315.685949 0.000338 LBFGSLineSearch: 16 18:33:26 -315.685949 0.000102 LBFGSLineSearch: 17 18:33:28 -315.685949 0.000041 LBFGSLineSearch: 18 18:33:29 -315.685949 0.000025 LBFGSLineSearch: 19 18:33:31 -315.685949 0.000007 Minimization converged after 19 steps. Pressure: -150.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:33:36 -316.147598 0.032975 LBFGSLineSearch: 1 18:33:37 -316.147822 0.016044 LBFGSLineSearch: 2 18:33:37 -316.147841 0.010012 LBFGSLineSearch: 3 18:33:37 -316.147848 0.004810 LBFGSLineSearch: 4 18:33:37 -316.147850 0.003381 LBFGSLineSearch: 5 18:33:37 -316.147850 0.002387 LBFGSLineSearch: 6 18:33:37 -316.147851 0.001856 LBFGSLineSearch: 7 18:33:38 -316.147851 0.001721 LBFGSLineSearch: 8 18:33:38 -316.147852 0.001608 LBFGSLineSearch: 9 18:33:38 -316.147852 0.000915 LBFGSLineSearch: 10 18:33:38 -316.147852 0.001114 LBFGSLineSearch: 11 18:33:38 -316.147852 0.001494 LBFGSLineSearch: 12 18:33:39 -316.147853 0.000533 LBFGSLineSearch: 13 18:33:39 -316.147853 0.000489 LBFGSLineSearch: 14 18:33:39 -316.147853 0.000472 LBFGSLineSearch: 15 18:33:40 -316.147853 0.000179 LBFGSLineSearch: 16 18:33:40 -316.147853 0.000048 LBFGSLineSearch: 17 18:33:40 -316.147853 0.000038 LBFGSLineSearch: 18 18:33:40 -316.147853 0.000020 LBFGSLineSearch: 19 18:33:40 -316.147853 0.000001 Minimization converged after 19 steps. Pressure: -150.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:33:46 -316.610013 0.033012 LBFGSLineSearch: 1 18:33:47 -316.610241 0.016270 LBFGSLineSearch: 2 18:33:48 -316.610260 0.010133 LBFGSLineSearch: 3 18:33:48 -316.610268 0.004853 LBFGSLineSearch: 4 18:33:49 -316.610269 0.003448 LBFGSLineSearch: 5 18:33:49 -316.610270 0.002418 LBFGSLineSearch: 6 18:33:50 -316.610270 0.001884 LBFGSLineSearch: 7 18:33:51 -316.610271 0.001739 LBFGSLineSearch: 8 18:33:52 -316.610271 0.001625 LBFGSLineSearch: 9 18:33:52 -316.610272 0.000919 LBFGSLineSearch: 10 18:33:52 -316.610272 0.001112 LBFGSLineSearch: 11 18:33:52 -316.610274 0.004614 LBFGSLineSearch: 12 18:33:52 -316.610274 0.004431 LBFGSLineSearch: 13 18:33:52 -316.610276 0.001811 LBFGSLineSearch: 14 18:33:53 -316.610277 0.001596 LBFGSLineSearch: 15 18:33:53 -316.610277 0.001257 LBFGSLineSearch: 16 18:33:53 -316.610277 0.000951 LBFGSLineSearch: 17 18:33:53 -316.610277 0.000368 LBFGSLineSearch: 18 18:33:53 -316.610277 0.000077 LBFGSLineSearch: 19 18:33:53 -316.610277 0.000058 LBFGSLineSearch: 20 18:33:53 -316.610277 0.000015 LBFGSLineSearch: 21 18:33:53 -316.610277 0.000007 Minimization converged after 21 steps. Pressure: -151.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:33:59 -317.072989 0.033052 LBFGSLineSearch: 1 18:34:00 -317.073219 0.016509 LBFGSLineSearch: 2 18:34:00 -317.073240 0.010285 LBFGSLineSearch: 3 18:34:01 -317.073247 0.004928 LBFGSLineSearch: 4 18:34:01 -317.073249 0.003506 LBFGSLineSearch: 5 18:34:02 -317.073250 0.002452 LBFGSLineSearch: 6 18:34:02 -317.073250 0.001913 LBFGSLineSearch: 7 18:34:02 -317.073250 0.001752 LBFGSLineSearch: 8 18:34:03 -317.073251 0.001632 LBFGSLineSearch: 9 18:34:03 -317.073251 0.000922 LBFGSLineSearch: 10 18:34:03 -317.073252 0.001109 LBFGSLineSearch: 11 18:34:04 -317.073252 0.001410 LBFGSLineSearch: 12 18:34:05 -317.073252 0.000547 LBFGSLineSearch: 13 18:34:06 -317.073252 0.000508 LBFGSLineSearch: 14 18:34:06 -317.073252 0.000505 LBFGSLineSearch: 15 18:34:06 -317.073252 0.000204 LBFGSLineSearch: 16 18:34:06 -317.073252 0.000055 LBFGSLineSearch: 17 18:34:07 -317.073252 0.000038 LBFGSLineSearch: 18 18:34:07 -317.073252 0.000032 LBFGSLineSearch: 19 18:34:07 -317.073252 0.000001 Minimization converged after 19 steps. Pressure: -151.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:34:12 -317.536492 0.033089 LBFGSLineSearch: 1 18:34:13 -317.536727 0.016678 LBFGSLineSearch: 2 18:34:14 -317.536748 0.010418 LBFGSLineSearch: 3 18:34:14 -317.536755 0.004966 LBFGSLineSearch: 4 18:34:15 -317.536757 0.003563 LBFGSLineSearch: 5 18:34:16 -317.536758 0.002486 LBFGSLineSearch: 6 18:34:18 -317.536758 0.001944 LBFGSLineSearch: 7 18:34:20 -317.536759 0.001774 LBFGSLineSearch: 8 18:34:21 -317.536760 0.001637 LBFGSLineSearch: 9 18:34:22 -317.536760 0.000927 LBFGSLineSearch: 10 18:34:23 -317.536760 0.001108 LBFGSLineSearch: 11 18:34:24 -317.536760 0.001367 LBFGSLineSearch: 12 18:34:26 -317.536761 0.000554 LBFGSLineSearch: 13 18:34:27 -317.536761 0.000519 LBFGSLineSearch: 14 18:34:28 -317.536761 0.000520 LBFGSLineSearch: 15 18:34:29 -317.536761 0.000223 LBFGSLineSearch: 16 18:34:30 -317.536761 0.000152 LBFGSLineSearch: 17 18:34:30 -317.536761 0.000043 LBFGSLineSearch: 18 18:34:31 -317.536761 0.000031 LBFGSLineSearch: 19 18:34:32 -317.536761 0.000004 Minimization converged after 19 steps. Pressure: -152.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:34:37 -318.000539 0.033128 LBFGSLineSearch: 1 18:34:38 -318.000777 0.016845 LBFGSLineSearch: 2 18:34:39 -318.000798 0.010546 LBFGSLineSearch: 3 18:34:39 -318.000807 0.004995 LBFGSLineSearch: 4 18:34:40 -318.000809 0.003618 LBFGSLineSearch: 5 18:34:40 -318.000810 0.002522 LBFGSLineSearch: 6 18:34:40 -318.000810 0.001978 LBFGSLineSearch: 7 18:34:41 -318.000810 0.001796 LBFGSLineSearch: 8 18:34:41 -318.000811 0.001639 LBFGSLineSearch: 9 18:34:42 -318.000811 0.000940 LBFGSLineSearch: 10 18:34:43 -318.000812 0.001107 LBFGSLineSearch: 11 18:34:43 -318.000812 0.001374 LBFGSLineSearch: 12 18:34:44 -318.000812 0.000562 LBFGSLineSearch: 13 18:34:46 -318.000812 0.000530 LBFGSLineSearch: 14 18:34:48 -318.000812 0.000536 LBFGSLineSearch: 15 18:34:50 -318.000812 0.000240 LBFGSLineSearch: 16 18:34:50 -318.000812 0.000138 LBFGSLineSearch: 17 18:34:51 -318.000812 0.000043 LBFGSLineSearch: 18 18:34:51 -318.000812 0.000033 LBFGSLineSearch: 19 18:34:52 -318.000812 0.000006 Minimization converged after 19 steps. Pressure: -152.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:34:58 -318.465139 0.033167 LBFGSLineSearch: 1 18:34:59 -318.465380 0.017044 LBFGSLineSearch: 2 18:35:00 -318.465402 0.010694 LBFGSLineSearch: 3 18:35:00 -318.465411 0.005047 LBFGSLineSearch: 4 18:35:01 -318.465413 0.003672 LBFGSLineSearch: 5 18:35:02 -318.465414 0.002559 LBFGSLineSearch: 6 18:35:03 -318.465414 0.002013 LBFGSLineSearch: 7 18:35:03 -318.465415 0.001814 LBFGSLineSearch: 8 18:35:03 -318.465416 0.001637 LBFGSLineSearch: 9 18:35:03 -318.465416 0.000953 LBFGSLineSearch: 10 18:35:03 -318.465416 0.001107 LBFGSLineSearch: 11 18:35:04 -318.465416 0.001380 LBFGSLineSearch: 12 18:35:04 -318.465417 0.000569 LBFGSLineSearch: 13 18:35:05 -318.465417 0.000541 LBFGSLineSearch: 14 18:35:06 -318.465417 0.000552 LBFGSLineSearch: 15 18:35:07 -318.465417 0.000259 LBFGSLineSearch: 16 18:35:07 -318.465417 0.000129 LBFGSLineSearch: 17 18:35:09 -318.465417 0.000043 LBFGSLineSearch: 18 18:35:09 -318.465417 0.000035 LBFGSLineSearch: 19 18:35:10 -318.465417 0.000007 Minimization converged after 19 steps. Pressure: -153.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:35:14 -318.930301 0.033207 LBFGSLineSearch: 1 18:35:15 -318.930546 0.017248 LBFGSLineSearch: 2 18:35:16 -318.930569 0.010850 LBFGSLineSearch: 3 18:35:17 -318.930579 0.005103 LBFGSLineSearch: 4 18:35:17 -318.930581 0.003724 LBFGSLineSearch: 5 18:35:17 -318.930582 0.002599 LBFGSLineSearch: 6 18:35:17 -318.930582 0.002049 LBFGSLineSearch: 7 18:35:17 -318.930582 0.001829 LBFGSLineSearch: 8 18:35:18 -318.930583 0.001602 LBFGSLineSearch: 9 18:35:18 -318.930583 0.000967 LBFGSLineSearch: 10 18:35:18 -318.930584 0.001100 LBFGSLineSearch: 11 18:35:18 -318.930584 0.001350 LBFGSLineSearch: 12 18:35:18 -318.930584 0.000561 LBFGSLineSearch: 13 18:35:18 -318.930584 0.000562 LBFGSLineSearch: 14 18:35:18 -318.930584 0.000550 LBFGSLineSearch: 15 18:35:19 -318.930584 0.000270 LBFGSLineSearch: 16 18:35:19 -318.930584 0.000108 LBFGSLineSearch: 17 18:35:19 -318.930584 0.000043 LBFGSLineSearch: 18 18:35:19 -318.930584 0.000035 LBFGSLineSearch: 19 18:35:19 -318.930584 0.000009 Minimization converged after 19 steps. Pressure: -153.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:35:25 -319.396037 0.033248 LBFGSLineSearch: 1 18:35:25 -319.396290 0.018087 LBFGSLineSearch: 2 18:35:25 -319.396315 0.011153 LBFGSLineSearch: 3 18:35:25 -319.396325 0.005248 LBFGSLineSearch: 4 18:35:26 -319.396327 0.003868 LBFGSLineSearch: 5 18:35:27 -319.396328 0.002381 LBFGSLineSearch: 6 18:35:27 -319.396328 0.001871 LBFGSLineSearch: 7 18:35:28 -319.396329 0.001524 LBFGSLineSearch: 8 18:35:28 -319.396329 0.001405 LBFGSLineSearch: 9 18:35:28 -319.396330 0.000811 LBFGSLineSearch: 10 18:35:28 -319.396330 0.000912 LBFGSLineSearch: 11 18:35:29 -319.396330 0.001153 LBFGSLineSearch: 12 18:35:29 -319.396330 0.000543 LBFGSLineSearch: 13 18:35:29 -319.396330 0.000538 LBFGSLineSearch: 14 18:35:29 -319.396330 0.000610 LBFGSLineSearch: 15 18:35:29 -319.396330 0.000273 LBFGSLineSearch: 16 18:35:29 -319.396330 0.000126 LBFGSLineSearch: 17 18:35:30 -319.396330 0.000085 LBFGSLineSearch: 18 18:35:30 -319.396330 0.000056 LBFGSLineSearch: 19 18:35:30 -319.396330 0.000010 LBFGSLineSearch: 20 18:35:30 -319.396330 0.000000 Minimization converged after 20 steps. Pressure: -154.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:35:35 -319.862368 0.033288 LBFGSLineSearch: 1 18:35:37 -319.862621 0.017807 LBFGSLineSearch: 2 18:35:37 -319.862646 0.011236 LBFGSLineSearch: 3 18:35:38 -319.862656 0.005312 LBFGSLineSearch: 4 18:35:39 -319.862658 0.003836 LBFGSLineSearch: 5 18:35:40 -319.862659 0.002687 LBFGSLineSearch: 6 18:35:41 -319.862660 0.002128 LBFGSLineSearch: 7 18:35:43 -319.862660 0.001840 LBFGSLineSearch: 8 18:35:44 -319.862661 0.001518 LBFGSLineSearch: 9 18:35:45 -319.862661 0.000997 LBFGSLineSearch: 10 18:35:45 -319.862662 0.001080 LBFGSLineSearch: 11 18:35:46 -319.862662 0.001279 LBFGSLineSearch: 12 18:35:46 -319.862662 0.000542 LBFGSLineSearch: 13 18:35:47 -319.862662 0.000602 LBFGSLineSearch: 14 18:35:48 -319.862662 0.000495 LBFGSLineSearch: 15 18:35:48 -319.862663 0.000280 LBFGSLineSearch: 16 18:35:49 -319.862663 0.000107 LBFGSLineSearch: 17 18:35:50 -319.862663 0.000045 LBFGSLineSearch: 18 18:35:51 -319.862663 0.000038 LBFGSLineSearch: 19 18:35:51 -319.862663 0.000017 LBFGSLineSearch: 20 18:35:52 -319.862663 0.000000 Minimization converged after 20 steps. Pressure: -154.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:35:57 -320.329291 0.033331 LBFGSLineSearch: 1 18:35:58 -320.329549 0.018057 LBFGSLineSearch: 2 18:35:58 -320.329574 0.011421 LBFGSLineSearch: 3 18:35:58 -320.329585 0.005390 LBFGSLineSearch: 4 18:35:58 -320.329588 0.003892 LBFGSLineSearch: 5 18:35:58 -320.329589 0.002734 LBFGSLineSearch: 6 18:35:59 -320.329589 0.002171 LBFGSLineSearch: 7 18:35:59 -320.329590 0.001847 LBFGSLineSearch: 8 18:36:00 -320.329591 0.001473 LBFGSLineSearch: 9 18:36:01 -320.329591 0.001012 LBFGSLineSearch: 10 18:36:01 -320.329591 0.001068 LBFGSLineSearch: 11 18:36:01 -320.329592 0.001236 LBFGSLineSearch: 12 18:36:02 -320.329592 0.000527 LBFGSLineSearch: 13 18:36:02 -320.329592 0.000621 LBFGSLineSearch: 14 18:36:02 -320.329592 0.000452 LBFGSLineSearch: 15 18:36:03 -320.329592 0.000327 LBFGSLineSearch: 16 18:36:04 -320.329592 0.000133 LBFGSLineSearch: 17 18:36:04 -320.329592 0.000051 LBFGSLineSearch: 18 18:36:05 -320.329592 0.000040 LBFGSLineSearch: 19 18:36:05 -320.329592 0.000030 LBFGSLineSearch: 20 18:36:07 -320.329592 0.000001 Minimization converged after 20 steps. Pressure: -155.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:36:12 -320.796825 0.033374 LBFGSLineSearch: 1 18:36:13 -320.797088 0.020360 LBFGSLineSearch: 2 18:36:13 -320.797125 0.013529 LBFGSLineSearch: 3 18:36:14 -320.797140 0.006103 LBFGSLineSearch: 4 18:36:14 -320.797144 0.004824 LBFGSLineSearch: 5 18:36:16 -320.797145 0.001700 LBFGSLineSearch: 6 18:36:16 -320.797146 0.000784 LBFGSLineSearch: 7 18:36:17 -320.797146 0.000662 LBFGSLineSearch: 8 18:36:17 -320.797146 0.000528 LBFGSLineSearch: 9 18:36:18 -320.797146 0.000228 LBFGSLineSearch: 10 18:36:19 -320.797146 0.000126 LBFGSLineSearch: 11 18:36:20 -320.797146 0.000110 LBFGSLineSearch: 12 18:36:21 -320.797146 0.000107 LBFGSLineSearch: 13 18:36:21 -320.797146 0.000030 LBFGSLineSearch: 14 18:36:21 -320.797146 0.000025 LBFGSLineSearch: 15 18:36:22 -320.797146 0.000016 LBFGSLineSearch: 16 18:36:22 -320.797146 0.000015 LBFGSLineSearch: 17 18:36:23 -320.797146 0.000007 Minimization converged after 17 steps. Pressure: -155.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:36:29 -321.265045 0.033422 LBFGSLineSearch: 1 18:36:30 -321.265312 0.018679 LBFGSLineSearch: 2 18:36:31 -321.265340 0.011848 LBFGSLineSearch: 3 18:36:31 -321.265352 0.005585 LBFGSLineSearch: 4 18:36:32 -321.265355 0.004021 LBFGSLineSearch: 5 18:36:33 -321.265356 0.002842 LBFGSLineSearch: 6 18:36:33 -321.265357 0.002273 LBFGSLineSearch: 7 18:36:33 -321.265357 0.001850 LBFGSLineSearch: 8 18:36:33 -321.265358 0.001414 LBFGSLineSearch: 9 18:36:34 -321.265359 0.001047 LBFGSLineSearch: 10 18:36:35 -321.265359 0.001054 LBFGSLineSearch: 11 18:36:36 -321.265359 0.001173 LBFGSLineSearch: 12 18:36:37 -321.265360 0.000566 LBFGSLineSearch: 13 18:36:39 -321.265360 0.000651 LBFGSLineSearch: 14 18:36:40 -321.265360 0.000452 LBFGSLineSearch: 15 18:36:40 -321.265360 0.000545 LBFGSLineSearch: 16 18:36:41 -321.265360 0.000211 LBFGSLineSearch: 17 18:36:41 -321.265360 0.000104 LBFGSLineSearch: 18 18:36:41 -321.265360 0.000052 LBFGSLineSearch: 19 18:36:41 -321.265360 0.000038 LBFGSLineSearch: 20 18:36:42 -321.265360 0.000026 LBFGSLineSearch: 21 18:36:42 -321.265360 0.000001 Minimization converged after 21 steps. Pressure: -156.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:36:48 -321.733890 0.033467 LBFGSLineSearch: 1 18:36:49 -321.734170 0.018740 LBFGSLineSearch: 2 18:36:49 -321.734199 0.012236 LBFGSLineSearch: 3 18:36:49 -321.734213 0.005514 LBFGSLineSearch: 4 18:36:49 -321.734216 0.004017 LBFGSLineSearch: 5 18:36:50 -321.734217 0.002819 LBFGSLineSearch: 6 18:36:50 -321.734218 0.002279 LBFGSLineSearch: 7 18:36:50 -321.734218 0.001645 LBFGSLineSearch: 8 18:36:50 -321.734219 0.001391 LBFGSLineSearch: 9 18:36:50 -321.734220 0.001055 LBFGSLineSearch: 10 18:36:50 -321.734220 0.001079 LBFGSLineSearch: 11 18:36:51 -321.734220 0.001053 LBFGSLineSearch: 12 18:36:51 -321.734221 0.000708 LBFGSLineSearch: 13 18:36:51 -321.734221 0.000531 LBFGSLineSearch: 14 18:36:51 -321.734221 0.000436 LBFGSLineSearch: 15 18:36:52 -321.734221 0.000332 LBFGSLineSearch: 16 18:36:52 -321.734221 0.000393 LBFGSLineSearch: 17 18:36:52 -321.734221 0.000114 LBFGSLineSearch: 18 18:36:53 -321.734221 0.000052 LBFGSLineSearch: 19 18:36:53 -321.734221 0.000038 LBFGSLineSearch: 20 18:36:53 -321.734221 0.000038 LBFGSLineSearch: 21 18:36:53 -321.734221 0.000001 Minimization converged after 21 steps. Pressure: -156.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:36:59 -322.203408 0.033513 LBFGSLineSearch: 1 18:37:01 -322.203683 0.023844 LBFGSLineSearch: 2 18:37:01 -322.203728 0.012227 LBFGSLineSearch: 3 18:37:01 -322.203741 0.005666 LBFGSLineSearch: 4 18:37:03 -322.203745 0.004583 LBFGSLineSearch: 5 18:37:03 -322.203747 0.001765 LBFGSLineSearch: 6 18:37:07 -322.203747 0.001309 LBFGSLineSearch: 7 18:37:08 -322.203747 0.001187 LBFGSLineSearch: 8 18:37:09 -322.203747 0.001043 LBFGSLineSearch: 9 18:37:10 -322.203748 0.000452 LBFGSLineSearch: 10 18:37:11 -322.203748 0.000335 LBFGSLineSearch: 11 18:37:12 -322.203748 0.000372 LBFGSLineSearch: 12 18:37:13 -322.203748 0.000329 LBFGSLineSearch: 13 18:37:14 -322.203748 0.000197 LBFGSLineSearch: 14 18:37:14 -322.203748 0.000246 LBFGSLineSearch: 15 18:37:14 -322.203748 0.000186 LBFGSLineSearch: 16 18:37:15 -322.203748 0.000169 LBFGSLineSearch: 17 18:37:15 -322.203748 0.000137 LBFGSLineSearch: 18 18:37:15 -322.203748 0.000081 LBFGSLineSearch: 19 18:37:16 -322.203748 0.000067 LBFGSLineSearch: 20 18:37:17 -322.203748 0.000056 LBFGSLineSearch: 21 18:37:18 -322.203748 0.000007 Minimization converged after 21 steps. Pressure: -157.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:37:25 -322.673614 0.033563 LBFGSLineSearch: 1 18:37:26 -322.673897 0.020502 LBFGSLineSearch: 2 18:37:27 -322.673929 0.013011 LBFGSLineSearch: 3 18:37:28 -322.673946 0.005868 LBFGSLineSearch: 4 18:37:29 -322.673950 0.003949 LBFGSLineSearch: 5 18:37:29 -322.673951 0.002055 LBFGSLineSearch: 6 18:37:29 -322.673952 0.001792 LBFGSLineSearch: 7 18:37:30 -322.673952 0.001470 LBFGSLineSearch: 8 18:37:31 -322.673953 0.001622 LBFGSLineSearch: 9 18:37:32 -322.673953 0.001125 LBFGSLineSearch: 10 18:37:32 -322.673953 0.000792 LBFGSLineSearch: 11 18:37:33 -322.673954 0.001975 LBFGSLineSearch: 12 18:37:33 -322.673954 0.002583 LBFGSLineSearch: 13 18:37:34 -322.673955 0.001484 LBFGSLineSearch: 14 18:37:35 -322.673955 0.001288 LBFGSLineSearch: 15 18:37:36 -322.673955 0.001002 LBFGSLineSearch: 16 18:37:36 -322.673955 0.000696 LBFGSLineSearch: 17 18:37:36 -322.673956 0.000252 LBFGSLineSearch: 18 18:37:36 -322.673956 0.000253 LBFGSLineSearch: 19 18:37:37 -322.673956 0.000094 LBFGSLineSearch: 20 18:37:37 -322.673956 0.000011 LBFGSLineSearch: 21 18:37:37 -322.673956 0.000003 Minimization converged after 21 steps. Pressure: -157.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:37:44 -323.144508 0.033611 LBFGSLineSearch: 1 18:37:45 -323.144804 0.020911 LBFGSLineSearch: 2 18:37:46 -323.144838 0.013393 LBFGSLineSearch: 3 18:37:47 -323.144855 0.006238 LBFGSLineSearch: 4 18:37:48 -323.144859 0.004410 LBFGSLineSearch: 5 18:37:48 -323.144860 0.002147 LBFGSLineSearch: 6 18:37:48 -323.144861 0.001645 LBFGSLineSearch: 7 18:37:49 -323.144861 0.001451 LBFGSLineSearch: 8 18:37:49 -323.144862 0.001103 LBFGSLineSearch: 9 18:37:50 -323.144862 0.000835 LBFGSLineSearch: 10 18:37:50 -323.144862 0.000708 LBFGSLineSearch: 11 18:37:51 -323.144862 0.000570 LBFGSLineSearch: 12 18:37:51 -323.144862 0.000484 LBFGSLineSearch: 13 18:37:51 -323.144862 0.000526 LBFGSLineSearch: 14 18:37:52 -323.144862 0.000410 LBFGSLineSearch: 15 18:37:53 -323.144862 0.000514 LBFGSLineSearch: 16 18:37:53 -323.144862 0.000305 LBFGSLineSearch: 17 18:37:54 -323.144862 0.000098 LBFGSLineSearch: 18 18:37:54 -323.144862 0.000038 LBFGSLineSearch: 19 18:37:55 -323.144862 0.000031 LBFGSLineSearch: 20 18:37:55 -323.144862 0.000026 LBFGSLineSearch: 21 18:37:56 -323.144862 0.000000 Minimization converged after 21 steps. Pressure: -158.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:38:03 -323.616120 0.033661 LBFGSLineSearch: 1 18:38:05 -323.616423 0.020227 LBFGSLineSearch: 2 18:38:06 -323.616459 0.013529 LBFGSLineSearch: 3 18:38:06 -323.616477 0.006142 LBFGSLineSearch: 4 18:38:06 -323.616481 0.004513 LBFGSLineSearch: 5 18:38:06 -323.616483 0.003019 LBFGSLineSearch: 6 18:38:06 -323.616484 0.002506 LBFGSLineSearch: 7 18:38:06 -323.616485 0.002044 LBFGSLineSearch: 8 18:38:06 -323.616486 0.001613 LBFGSLineSearch: 9 18:38:07 -323.616487 0.001193 LBFGSLineSearch: 10 18:38:07 -323.616487 0.001025 LBFGSLineSearch: 11 18:38:08 -323.616487 0.000863 LBFGSLineSearch: 12 18:38:09 -323.616487 0.000740 LBFGSLineSearch: 13 18:38:09 -323.616487 0.000559 LBFGSLineSearch: 14 18:38:10 -323.616487 0.000735 LBFGSLineSearch: 15 18:38:10 -323.616488 0.000660 LBFGSLineSearch: 16 18:38:11 -323.616488 0.000447 LBFGSLineSearch: 17 18:38:11 -323.616488 0.000187 LBFGSLineSearch: 18 18:38:11 -323.616488 0.000164 LBFGSLineSearch: 19 18:38:11 -323.616488 0.000143 LBFGSLineSearch: 20 18:38:11 -323.616488 0.000103 LBFGSLineSearch: 21 18:38:11 -323.616488 0.000022 LBFGSLineSearch: 22 18:38:11 -323.616488 0.000002 Minimization converged after 22 steps. Pressure: -158.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:38:18 -324.088485 0.033715 LBFGSLineSearch: 1 18:38:20 -324.088785 0.020590 LBFGSLineSearch: 2 18:38:21 -324.088820 0.013374 LBFGSLineSearch: 3 18:38:22 -324.088839 0.006267 LBFGSLineSearch: 4 18:38:23 -324.088843 0.004389 LBFGSLineSearch: 5 18:38:23 -324.088845 0.003230 LBFGSLineSearch: 6 18:38:23 -324.088846 0.002641 LBFGSLineSearch: 7 18:38:24 -324.088846 0.001857 LBFGSLineSearch: 8 18:38:24 -324.088848 0.001671 LBFGSLineSearch: 9 18:38:24 -324.088848 0.001309 LBFGSLineSearch: 10 18:38:24 -324.088849 0.001209 LBFGSLineSearch: 11 18:38:25 -324.088849 0.001071 LBFGSLineSearch: 12 18:38:26 -324.088849 0.001337 LBFGSLineSearch: 13 18:38:27 -324.088850 0.000549 LBFGSLineSearch: 14 18:38:27 -324.088850 0.000717 LBFGSLineSearch: 15 18:38:28 -324.088850 0.000554 LBFGSLineSearch: 16 18:38:29 -324.088850 0.000472 LBFGSLineSearch: 17 18:38:29 -324.088850 0.000191 LBFGSLineSearch: 18 18:38:30 -324.088850 0.000105 LBFGSLineSearch: 19 18:38:30 -324.088850 0.000052 LBFGSLineSearch: 20 18:38:32 -324.088850 0.000041 LBFGSLineSearch: 21 18:38:34 -324.088850 0.000029 LBFGSLineSearch: 22 18:38:34 -324.088850 0.000001 Minimization converged after 22 steps. Pressure: -159.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:38:42 -324.561581 0.033767 LBFGSLineSearch: 1 18:38:43 -324.561897 0.020981 LBFGSLineSearch: 2 18:38:43 -324.561937 0.013994 LBFGSLineSearch: 3 18:38:44 -324.561958 0.006542 LBFGSLineSearch: 4 18:38:44 -324.561964 0.005373 LBFGSLineSearch: 5 18:38:44 -324.561967 0.005962 LBFGSLineSearch: 6 18:38:44 -324.561969 0.004504 LBFGSLineSearch: 7 18:38:44 -324.561973 0.004522 LBFGSLineSearch: 8 18:38:45 -324.561980 0.006801 LBFGSLineSearch: 9 18:38:45 -324.561984 0.002230 LBFGSLineSearch: 10 18:38:45 -324.561985 0.002073 LBFGSLineSearch: 11 18:38:46 -324.561986 0.002276 LBFGSLineSearch: 12 18:38:46 -324.561986 0.000970 LBFGSLineSearch: 13 18:38:46 -324.561986 0.000867 LBFGSLineSearch: 14 18:38:46 -324.561986 0.000669 LBFGSLineSearch: 15 18:38:46 -324.561986 0.000731 LBFGSLineSearch: 16 18:38:47 -324.561987 0.000343 LBFGSLineSearch: 17 18:38:47 -324.561987 0.000105 LBFGSLineSearch: 18 18:38:47 -324.561987 0.000093 LBFGSLineSearch: 19 18:38:48 -324.561987 0.000073 LBFGSLineSearch: 20 18:38:48 -324.561987 0.000017 LBFGSLineSearch: 21 18:38:48 -324.561987 0.000000 Minimization converged after 21 steps. Pressure: -159.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:38:54 -325.035527 0.033824 LBFGSLineSearch: 1 18:38:56 -325.035843 0.021401 LBFGSLineSearch: 2 18:38:57 -325.035884 0.014528 LBFGSLineSearch: 3 18:38:58 -325.035907 0.006782 LBFGSLineSearch: 4 18:38:59 -325.035912 0.004640 LBFGSLineSearch: 5 18:38:59 -325.035914 0.002943 LBFGSLineSearch: 6 18:39:00 -325.035915 0.002347 LBFGSLineSearch: 7 18:39:01 -325.035915 0.001881 LBFGSLineSearch: 8 18:39:02 -325.035916 0.001528 LBFGSLineSearch: 9 18:39:03 -325.035917 0.001286 LBFGSLineSearch: 10 18:39:03 -325.035917 0.001092 LBFGSLineSearch: 11 18:39:03 -325.035918 0.001022 LBFGSLineSearch: 12 18:39:03 -325.035918 0.001091 LBFGSLineSearch: 13 18:39:03 -325.035918 0.000533 LBFGSLineSearch: 14 18:39:03 -325.035918 0.000735 LBFGSLineSearch: 15 18:39:04 -325.035918 0.000476 LBFGSLineSearch: 16 18:39:04 -325.035918 0.000452 LBFGSLineSearch: 17 18:39:04 -325.035918 0.000232 LBFGSLineSearch: 18 18:39:04 -325.035918 0.000107 LBFGSLineSearch: 19 18:39:04 -325.035918 0.000033 LBFGSLineSearch: 20 18:39:05 -325.035918 0.000006 Minimization converged after 20 steps. Pressure: -160.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:39:13 -325.510246 0.033881 LBFGSLineSearch: 1 18:39:16 -325.510567 0.021877 LBFGSLineSearch: 2 18:39:18 -325.510608 0.014386 LBFGSLineSearch: 3 18:39:21 -325.510632 0.006766 LBFGSLineSearch: 4 18:39:25 -325.510637 0.004621 LBFGSLineSearch: 5 18:39:28 -325.510640 0.003493 LBFGSLineSearch: 6 18:39:31 -325.510641 0.002888 LBFGSLineSearch: 7 18:39:34 -325.510641 0.002077 LBFGSLineSearch: 8 18:39:39 -325.510643 0.002976 LBFGSLineSearch: 9 18:39:44 -325.510644 0.001560 LBFGSLineSearch: 10 18:39:48 -325.510644 0.001162 LBFGSLineSearch: 11 18:39:53 -325.510645 0.001629 LBFGSLineSearch: 12 18:39:56 -325.510645 0.000800 LBFGSLineSearch: 13 18:40:00 -325.510645 0.000717 LBFGSLineSearch: 14 18:40:05 -325.510645 0.000624 LBFGSLineSearch: 15 18:40:09 -325.510645 0.000660 LBFGSLineSearch: 16 18:40:13 -325.510645 0.000325 LBFGSLineSearch: 17 18:40:16 -325.510646 0.000114 LBFGSLineSearch: 18 18:40:21 -325.510646 0.000050 LBFGSLineSearch: 19 18:40:25 -325.510646 0.000039 LBFGSLineSearch: 20 18:40:28 -325.510646 0.000000 Minimization converged after 20 steps. Pressure: -160.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:40:35 -325.985777 0.033938 LBFGSLineSearch: 1 18:40:39 -325.986108 0.021412 LBFGSLineSearch: 2 18:40:42 -325.986152 0.014931 LBFGSLineSearch: 3 18:40:44 -325.986178 0.007108 LBFGSLineSearch: 4 18:40:47 -325.986185 0.004598 LBFGSLineSearch: 5 18:40:50 -325.986188 0.003968 LBFGSLineSearch: 6 18:40:52 -325.986189 0.003307 LBFGSLineSearch: 7 18:40:56 -325.986189 0.002439 LBFGSLineSearch: 8 18:41:00 -325.986192 0.002167 LBFGSLineSearch: 9 18:41:03 -325.986193 0.001921 LBFGSLineSearch: 10 18:41:06 -325.986194 0.001543 LBFGSLineSearch: 11 18:41:10 -325.986194 0.001488 LBFGSLineSearch: 12 18:41:14 -325.986194 0.001480 LBFGSLineSearch: 13 18:41:19 -325.986195 0.000786 LBFGSLineSearch: 14 18:41:23 -325.986195 0.000938 LBFGSLineSearch: 15 18:41:28 -325.986195 0.000589 LBFGSLineSearch: 16 18:41:32 -325.986195 0.000606 LBFGSLineSearch: 17 18:41:35 -325.986195 0.000342 LBFGSLineSearch: 18 18:41:39 -325.986195 0.000134 LBFGSLineSearch: 19 18:41:44 -325.986195 0.000047 LBFGSLineSearch: 20 18:41:49 -325.986195 0.000024 LBFGSLineSearch: 21 18:41:54 -325.986195 0.000021 LBFGSLineSearch: 22 18:41:59 -325.986195 0.000008 Minimization converged after 22 steps. Pressure: -161.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:42:07 -326.462174 0.034000 LBFGSLineSearch: 1 18:42:11 -326.462512 0.022733 LBFGSLineSearch: 2 18:42:13 -326.462557 0.015179 LBFGSLineSearch: 3 18:42:16 -326.462586 0.007227 LBFGSLineSearch: 4 18:42:19 -326.462592 0.004779 LBFGSLineSearch: 5 18:42:20 -326.462595 0.003705 LBFGSLineSearch: 6 18:42:23 -326.462596 0.003083 LBFGSLineSearch: 7 18:42:24 -326.462597 0.002628 LBFGSLineSearch: 8 18:42:25 -326.462597 0.002679 LBFGSLineSearch: 9 18:42:28 -326.462600 0.001467 LBFGSLineSearch: 10 18:42:32 -326.462601 0.005684 LBFGSLineSearch: 11 18:42:36 -326.462602 0.005342 LBFGSLineSearch: 12 18:42:41 -326.462605 0.002311 LBFGSLineSearch: 13 18:42:44 -326.462607 0.002289 LBFGSLineSearch: 14 18:42:49 -326.462609 0.002235 LBFGSLineSearch: 15 18:42:52 -326.462610 0.001649 LBFGSLineSearch: 16 18:42:56 -326.462610 0.001511 LBFGSLineSearch: 17 18:43:00 -326.462611 0.001247 LBFGSLineSearch: 18 18:43:05 -326.462611 0.000340 LBFGSLineSearch: 19 18:43:07 -326.462611 0.000292 LBFGSLineSearch: 20 18:43:12 -326.462611 0.000231 LBFGSLineSearch: 21 18:43:15 -326.462611 0.000133 LBFGSLineSearch: 22 18:43:17 -326.462611 0.000089 LBFGSLineSearch: 23 18:43:21 -326.462611 0.000023 LBFGSLineSearch: 24 18:43:26 -326.462611 0.000001 Minimization converged after 24 steps. Pressure: -161.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:43:33 -326.939496 0.034063 LBFGSLineSearch: 1 18:43:36 -326.939843 0.023337 LBFGSLineSearch: 2 18:43:38 -326.939891 0.015641 LBFGSLineSearch: 3 18:43:39 -326.939922 0.007701 LBFGSLineSearch: 4 18:43:40 -326.939929 0.004887 LBFGSLineSearch: 5 18:43:41 -326.939933 0.003832 LBFGSLineSearch: 6 18:43:43 -326.939934 0.003199 LBFGSLineSearch: 7 18:43:44 -326.939935 0.002721 LBFGSLineSearch: 8 18:43:46 -326.939935 0.002733 LBFGSLineSearch: 9 18:43:49 -326.939938 0.001574 LBFGSLineSearch: 10 18:43:51 -326.939938 0.001484 LBFGSLineSearch: 11 18:43:53 -326.939939 0.001380 LBFGSLineSearch: 12 18:43:58 -326.939939 0.001096 LBFGSLineSearch: 13 18:44:01 -326.939939 0.000824 LBFGSLineSearch: 14 18:44:04 -326.939940 0.000700 LBFGSLineSearch: 15 18:44:06 -326.939940 0.000760 LBFGSLineSearch: 16 18:44:10 -326.939940 0.000713 LBFGSLineSearch: 17 18:44:12 -326.939940 0.000305 LBFGSLineSearch: 18 18:44:14 -326.939940 0.000118 LBFGSLineSearch: 19 18:44:15 -326.939940 0.000051 LBFGSLineSearch: 20 18:44:18 -326.939940 0.000037 LBFGSLineSearch: 21 18:44:20 -326.939940 0.000044 LBFGSLineSearch: 22 18:44:22 -326.939940 0.000001 Minimization converged after 22 steps. Pressure: -162.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:44:29 -327.417719 0.034127 LBFGSLineSearch: 1 18:44:34 -327.418076 0.023887 LBFGSLineSearch: 2 18:44:38 -327.418141 0.019808 LBFGSLineSearch: 3 18:44:39 -327.418161 0.008146 LBFGSLineSearch: 4 18:44:40 -327.418170 0.005554 LBFGSLineSearch: 5 18:44:41 -327.418173 0.004004 LBFGSLineSearch: 6 18:44:44 -327.418175 0.003055 LBFGSLineSearch: 7 18:44:48 -327.418175 0.002269 LBFGSLineSearch: 8 18:44:51 -327.418178 0.001928 LBFGSLineSearch: 9 18:44:53 -327.418179 0.001657 LBFGSLineSearch: 10 18:44:55 -327.418179 0.001612 LBFGSLineSearch: 11 18:44:58 -327.418179 0.001336 LBFGSLineSearch: 12 18:45:02 -327.418180 0.001252 LBFGSLineSearch: 13 18:45:07 -327.418180 0.000922 LBFGSLineSearch: 14 18:45:12 -327.418180 0.000817 LBFGSLineSearch: 15 18:45:16 -327.418180 0.000487 LBFGSLineSearch: 16 18:45:20 -327.418181 0.000357 LBFGSLineSearch: 17 18:45:21 -327.418181 0.000309 LBFGSLineSearch: 18 18:45:23 -327.418181 0.000157 LBFGSLineSearch: 19 18:45:27 -327.418181 0.000057 LBFGSLineSearch: 20 18:45:30 -327.418181 0.000037 LBFGSLineSearch: 21 18:45:33 -327.418181 0.000032 LBFGSLineSearch: 22 18:45:37 -327.418181 0.000000 Minimization converged after 22 steps. Pressure: -162.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:45:44 -327.896890 0.034194 LBFGSLineSearch: 1 18:45:49 -327.897262 0.024507 LBFGSLineSearch: 2 18:45:52 -327.897333 0.018642 LBFGSLineSearch: 3 18:45:55 -327.897379 0.011184 LBFGSLineSearch: 4 18:45:59 -327.897394 0.008023 LBFGSLineSearch: 5 18:46:02 -327.897401 0.007320 LBFGSLineSearch: 6 18:46:05 -327.897404 0.005743 LBFGSLineSearch: 7 18:46:09 -327.897407 0.004628 LBFGSLineSearch: 8 18:46:14 -327.897413 0.006022 LBFGSLineSearch: 9 18:46:19 -327.897422 0.006294 LBFGSLineSearch: 10 18:46:23 -327.897425 0.002886 LBFGSLineSearch: 11 18:46:27 -327.897426 0.002588 LBFGSLineSearch: 12 18:46:31 -327.897427 0.001773 LBFGSLineSearch: 13 18:46:35 -327.897428 0.001632 LBFGSLineSearch: 14 18:46:38 -327.897429 0.001460 LBFGSLineSearch: 15 18:46:42 -327.897429 0.000913 LBFGSLineSearch: 16 18:46:46 -327.897429 0.000687 LBFGSLineSearch: 17 18:46:50 -327.897429 0.000722 LBFGSLineSearch: 18 18:46:54 -327.897429 0.000303 LBFGSLineSearch: 19 18:46:57 -327.897429 0.000109 LBFGSLineSearch: 20 18:47:01 -327.897429 0.000034 LBFGSLineSearch: 21 18:47:05 -327.897429 0.000014 LBFGSLineSearch: 22 18:47:09 -327.897429 0.000013 LBFGSLineSearch: 23 18:47:13 -327.897429 0.000006 Minimization converged after 23 steps. Pressure: -163.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:47:23 -328.377227 0.034272 LBFGSLineSearch: 1 18:47:27 -328.377629 0.029541 LBFGSLineSearch: 2 18:47:30 -328.377695 0.017772 LBFGSLineSearch: 3 18:47:33 -328.377739 0.009500 LBFGSLineSearch: 4 18:47:36 -328.377751 0.005945 LBFGSLineSearch: 5 18:47:39 -328.377757 0.004444 LBFGSLineSearch: 6 18:47:42 -328.377759 0.003951 LBFGSLineSearch: 7 18:47:45 -328.377759 0.003214 LBFGSLineSearch: 8 18:47:48 -328.377760 0.002442 LBFGSLineSearch: 9 18:47:51 -328.377763 0.001879 LBFGSLineSearch: 10 18:47:55 -328.377764 0.001673 LBFGSLineSearch: 11 18:47:59 -328.377765 0.001720 LBFGSLineSearch: 12 18:48:03 -328.377765 0.001263 LBFGSLineSearch: 13 18:48:07 -328.377766 0.000951 LBFGSLineSearch: 14 18:48:10 -328.377766 0.000710 LBFGSLineSearch: 15 18:48:13 -328.377766 0.000617 LBFGSLineSearch: 16 18:48:17 -328.377766 0.000980 LBFGSLineSearch: 17 18:48:20 -328.377766 0.000401 LBFGSLineSearch: 18 18:48:24 -328.377766 0.000162 LBFGSLineSearch: 19 18:48:28 -328.377766 0.000092 LBFGSLineSearch: 20 18:48:32 -328.377766 0.000038 LBFGSLineSearch: 21 18:48:36 -328.377766 0.000034 LBFGSLineSearch: 22 18:48:40 -328.377766 0.000002 Minimization converged after 22 steps. Pressure: -163.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:48:48 -328.858619 0.034347 LBFGSLineSearch: 1 18:48:50 -328.859021 0.025068 LBFGSLineSearch: 2 18:48:53 -328.859108 0.022625 LBFGSLineSearch: 3 18:48:55 -328.859136 0.010332 LBFGSLineSearch: 4 18:48:56 -328.859151 0.006660 LBFGSLineSearch: 5 18:48:57 -328.859155 0.005374 LBFGSLineSearch: 6 18:49:00 -328.859158 0.004520 LBFGSLineSearch: 7 18:49:04 -328.859160 0.003753 LBFGSLineSearch: 8 18:49:08 -328.859165 0.002906 LBFGSLineSearch: 9 18:49:12 -328.859167 0.002214 LBFGSLineSearch: 10 18:49:15 -328.859168 0.002153 LBFGSLineSearch: 11 18:49:18 -328.859168 0.001884 LBFGSLineSearch: 12 18:49:23 -328.859168 0.001590 LBFGSLineSearch: 13 18:49:25 -328.859169 0.001483 LBFGSLineSearch: 14 18:49:28 -328.859170 0.001148 LBFGSLineSearch: 15 18:49:32 -328.859170 0.000766 LBFGSLineSearch: 16 18:49:35 -328.859170 0.000620 LBFGSLineSearch: 17 18:49:40 -328.859170 0.000475 LBFGSLineSearch: 18 18:49:43 -328.859170 0.000220 LBFGSLineSearch: 19 18:49:47 -328.859170 0.000135 LBFGSLineSearch: 20 18:49:52 -328.859170 0.000089 LBFGSLineSearch: 21 18:49:56 -328.859170 0.000066 LBFGSLineSearch: 22 18:50:01 -328.859170 0.000002 Minimization converged after 22 steps. Pressure: -164.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:50:11 -329.341138 0.034427 LBFGSLineSearch: 1 18:50:15 -329.341550 0.026767 LBFGSLineSearch: 2 18:50:18 -329.341647 0.024196 LBFGSLineSearch: 3 18:50:21 -329.341679 0.010933 LBFGSLineSearch: 4 18:50:23 -329.341696 0.007022 LBFGSLineSearch: 5 18:50:26 -329.341701 0.005050 LBFGSLineSearch: 6 18:50:28 -329.341704 0.003961 LBFGSLineSearch: 7 18:50:32 -329.341705 0.002953 LBFGSLineSearch: 8 18:50:36 -329.341708 0.002563 LBFGSLineSearch: 9 18:50:40 -329.341710 0.002343 LBFGSLineSearch: 10 18:50:44 -329.341711 0.002080 LBFGSLineSearch: 11 18:50:47 -329.341712 0.001737 LBFGSLineSearch: 12 18:50:51 -329.341712 0.001466 LBFGSLineSearch: 13 18:50:55 -329.341713 0.001299 LBFGSLineSearch: 14 18:50:59 -329.341713 0.001087 LBFGSLineSearch: 15 18:51:03 -329.341713 0.000704 LBFGSLineSearch: 16 18:51:06 -329.341714 0.000527 LBFGSLineSearch: 17 18:51:09 -329.341714 0.000477 LBFGSLineSearch: 18 18:51:12 -329.341714 0.000296 LBFGSLineSearch: 19 18:51:15 -329.341714 0.000109 LBFGSLineSearch: 20 18:51:18 -329.341714 0.000050 LBFGSLineSearch: 21 18:51:23 -329.341714 0.000042 LBFGSLineSearch: 22 18:51:26 -329.341714 0.000031 LBFGSLineSearch: 23 18:51:32 -329.341714 0.000000 Minimization converged after 23 steps. Pressure: -164.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:51:41 -329.824839 0.034509 LBFGSLineSearch: 1 18:51:46 -329.825251 0.033896 LBFGSLineSearch: 2 18:51:48 -329.825348 0.020122 LBFGSLineSearch: 3 18:51:48 -329.825403 0.012730 LBFGSLineSearch: 4 18:51:49 -329.825429 0.007019 LBFGSLineSearch: 5 18:51:49 -329.825439 0.005632 LBFGSLineSearch: 6 18:51:49 -329.825443 0.005742 LBFGSLineSearch: 7 18:51:49 -329.825445 0.005000 LBFGSLineSearch: 8 18:51:49 -329.825447 0.003532 LBFGSLineSearch: 9 18:51:50 -329.825452 0.002925 LBFGSLineSearch: 10 18:51:50 -329.825456 0.002704 LBFGSLineSearch: 11 18:51:50 -329.825457 0.002643 LBFGSLineSearch: 12 18:51:50 -329.825458 0.002263 LBFGSLineSearch: 13 18:51:50 -329.825458 0.001647 LBFGSLineSearch: 14 18:51:51 -329.825459 0.001628 LBFGSLineSearch: 15 18:51:52 -329.825460 0.001076 LBFGSLineSearch: 16 18:51:52 -329.825460 0.000695 LBFGSLineSearch: 17 18:51:54 -329.825460 0.000537 LBFGSLineSearch: 18 18:51:54 -329.825460 0.000388 LBFGSLineSearch: 19 18:51:55 -329.825460 0.000202 LBFGSLineSearch: 20 18:51:55 -329.825460 0.000075 LBFGSLineSearch: 21 18:51:56 -329.825460 0.000034 LBFGSLineSearch: 22 18:51:57 -329.825460 0.000037 LBFGSLineSearch: 23 18:51:57 -329.825460 0.000004 Minimization converged after 23 steps. Pressure: -165.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:52:06 -330.309835 0.034599 LBFGSLineSearch: 1 18:52:07 -330.310276 0.028708 LBFGSLineSearch: 2 18:52:07 -330.310390 0.026206 LBFGSLineSearch: 3 18:52:07 -330.310430 0.012828 LBFGSLineSearch: 4 18:52:07 -330.310454 0.007837 LBFGSLineSearch: 5 18:52:08 -330.310461 0.006316 LBFGSLineSearch: 6 18:52:08 -330.310463 0.003902 LBFGSLineSearch: 7 18:52:08 -330.310464 0.003447 LBFGSLineSearch: 8 18:52:09 -330.310466 0.005381 LBFGSLineSearch: 9 18:52:10 -330.310471 0.002505 LBFGSLineSearch: 10 18:52:10 -330.310473 0.003398 LBFGSLineSearch: 11 18:52:11 -330.310474 0.001699 LBFGSLineSearch: 12 18:52:11 -330.310475 0.001783 LBFGSLineSearch: 13 18:52:11 -330.310476 0.001465 LBFGSLineSearch: 14 18:52:12 -330.310476 0.001003 LBFGSLineSearch: 15 18:52:12 -330.310476 0.000630 LBFGSLineSearch: 16 18:52:12 -330.310477 0.000741 LBFGSLineSearch: 17 18:52:12 -330.310477 0.000534 LBFGSLineSearch: 18 18:52:13 -330.310477 0.000173 LBFGSLineSearch: 19 18:52:13 -330.310477 0.000158 LBFGSLineSearch: 20 18:52:13 -330.310477 0.000061 LBFGSLineSearch: 21 18:52:14 -330.310477 0.000048 LBFGSLineSearch: 22 18:52:14 -330.310477 0.000000 Minimization converged after 22 steps. Pressure: -165.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:52:22 -330.796155 0.034691 LBFGSLineSearch: 1 18:52:23 -330.796632 0.029829 LBFGSLineSearch: 2 18:52:23 -330.796775 0.029967 LBFGSLineSearch: 3 18:52:23 -330.796843 0.016752 LBFGSLineSearch: 4 18:52:24 -330.796861 0.009632 LBFGSLineSearch: 5 18:52:24 -330.796872 0.006739 LBFGSLineSearch: 6 18:52:24 -330.796877 0.005437 LBFGSLineSearch: 7 18:52:24 -330.796879 0.004576 LBFGSLineSearch: 8 18:52:24 -330.796889 0.003793 LBFGSLineSearch: 9 18:52:24 -330.796894 0.003978 LBFGSLineSearch: 10 18:52:25 -330.796896 0.003455 LBFGSLineSearch: 11 18:52:25 -330.796897 0.002992 LBFGSLineSearch: 12 18:52:26 -330.796898 0.002502 LBFGSLineSearch: 13 18:52:26 -330.796898 0.001683 LBFGSLineSearch: 14 18:52:27 -330.796899 0.001643 LBFGSLineSearch: 15 18:52:28 -330.796901 0.002021 LBFGSLineSearch: 16 18:52:29 -330.796901 0.000710 LBFGSLineSearch: 17 18:52:29 -330.796901 0.000278 LBFGSLineSearch: 18 18:52:29 -330.796901 0.000247 LBFGSLineSearch: 19 18:52:29 -330.796901 0.000178 LBFGSLineSearch: 20 18:52:29 -330.796901 0.000082 LBFGSLineSearch: 21 18:52:29 -330.796901 0.000083 LBFGSLineSearch: 22 18:52:30 -330.796901 0.000034 LBFGSLineSearch: 23 18:52:30 -330.796901 0.000035 LBFGSLineSearch: 24 18:52:31 -330.796901 0.000005 Minimization converged after 24 steps. Pressure: -166.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:52:36 -331.284081 0.034799 LBFGSLineSearch: 1 18:52:37 -331.284565 0.031216 LBFGSLineSearch: 2 18:52:37 -331.284711 0.029863 LBFGSLineSearch: 3 18:52:39 -331.284779 0.015033 LBFGSLineSearch: 4 18:52:40 -331.284797 0.009441 LBFGSLineSearch: 5 18:52:40 -331.284807 0.005737 LBFGSLineSearch: 6 18:52:40 -331.284811 0.004563 LBFGSLineSearch: 7 18:52:41 -331.284813 0.003774 LBFGSLineSearch: 8 18:52:41 -331.284818 0.003157 LBFGSLineSearch: 9 18:52:41 -331.284822 0.003593 LBFGSLineSearch: 10 18:52:41 -331.284824 0.002871 LBFGSLineSearch: 11 18:52:41 -331.284825 0.002510 LBFGSLineSearch: 12 18:52:42 -331.284825 0.002034 LBFGSLineSearch: 13 18:52:42 -331.284826 0.001652 LBFGSLineSearch: 14 18:52:43 -331.284826 0.001563 LBFGSLineSearch: 15 18:52:45 -331.284827 0.001449 LBFGSLineSearch: 16 18:52:46 -331.284827 0.001226 LBFGSLineSearch: 17 18:52:46 -331.284827 0.000437 LBFGSLineSearch: 18 18:52:46 -331.284827 0.000288 LBFGSLineSearch: 19 18:52:47 -331.284827 0.000272 LBFGSLineSearch: 20 18:52:47 -331.284827 0.000256 LBFGSLineSearch: 21 18:52:47 -331.284827 0.000164 LBFGSLineSearch: 22 18:52:47 -331.284827 0.000031 LBFGSLineSearch: 23 18:52:48 -331.284827 0.000015 LBFGSLineSearch: 24 18:52:48 -331.284827 0.000005 Minimization converged after 24 steps. Pressure: -166.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:52:54 -331.773523 0.034908 LBFGSLineSearch: 1 18:52:57 -331.774056 0.032726 LBFGSLineSearch: 2 18:52:59 -331.774246 0.035165 LBFGSLineSearch: 3 18:53:00 -331.774363 0.016171 LBFGSLineSearch: 4 18:53:00 -331.774389 0.009880 LBFGSLineSearch: 5 18:53:00 -331.774405 0.006204 LBFGSLineSearch: 6 18:53:00 -331.774410 0.005053 LBFGSLineSearch: 7 18:53:00 -331.774411 0.004945 LBFGSLineSearch: 8 18:53:00 -331.774413 0.004449 LBFGSLineSearch: 9 18:53:01 -331.774420 0.002951 LBFGSLineSearch: 10 18:53:01 -331.774421 0.002230 LBFGSLineSearch: 11 18:53:01 -331.774422 0.001899 LBFGSLineSearch: 12 18:53:01 -331.774422 0.001641 LBFGSLineSearch: 13 18:53:01 -331.774423 0.001382 LBFGSLineSearch: 14 18:53:03 -331.774423 0.001255 LBFGSLineSearch: 15 18:53:03 -331.774423 0.001158 LBFGSLineSearch: 16 18:53:05 -331.774424 0.001045 LBFGSLineSearch: 17 18:53:05 -331.774424 0.000569 LBFGSLineSearch: 18 18:53:06 -331.774424 0.000473 LBFGSLineSearch: 19 18:53:06 -331.774424 0.000345 LBFGSLineSearch: 20 18:53:06 -331.774424 0.000120 LBFGSLineSearch: 21 18:53:07 -331.774424 0.000041 LBFGSLineSearch: 22 18:53:08 -331.774424 0.000024 LBFGSLineSearch: 23 18:53:08 -331.774424 0.000020 LBFGSLineSearch: 24 18:53:09 -331.774424 0.000000 Minimization converged after 24 steps. Pressure: -167.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:53:14 -332.264937 0.035037 LBFGSLineSearch: 1 18:53:17 -332.265484 0.034646 LBFGSLineSearch: 2 18:53:19 -332.265689 0.036050 LBFGSLineSearch: 3 18:53:20 -332.265798 0.019206 LBFGSLineSearch: 4 18:53:21 -332.265827 0.012361 LBFGSLineSearch: 5 18:53:21 -332.265847 0.006913 LBFGSLineSearch: 6 18:53:22 -332.265853 0.005910 LBFGSLineSearch: 7 18:53:23 -332.265856 0.005036 LBFGSLineSearch: 8 18:53:25 -332.265864 0.004001 LBFGSLineSearch: 9 18:53:26 -332.265870 0.005818 LBFGSLineSearch: 10 18:53:28 -332.265875 0.002677 LBFGSLineSearch: 11 18:53:29 -332.265876 0.002432 LBFGSLineSearch: 12 18:53:29 -332.265877 0.001916 LBFGSLineSearch: 13 18:53:29 -332.265878 0.002360 LBFGSLineSearch: 14 18:53:30 -332.265880 0.000395 LBFGSLineSearch: 15 18:53:31 -332.265880 0.000335 LBFGSLineSearch: 16 18:53:31 -332.265880 0.000178 LBFGSLineSearch: 17 18:53:32 -332.265880 0.000056 LBFGSLineSearch: 18 18:53:32 -332.265880 0.000030 LBFGSLineSearch: 19 18:53:33 -332.265880 0.000026 LBFGSLineSearch: 20 18:53:34 -332.265880 0.000000 Minimization converged after 20 steps. Pressure: -167.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:53:39 -332.758319 0.035174 LBFGSLineSearch: 1 18:53:40 -332.758901 0.035081 LBFGSLineSearch: 2 18:53:42 -332.759155 0.041125 LBFGSLineSearch: 3 18:53:42 -332.759312 0.021890 LBFGSLineSearch: 4 18:53:43 -332.759352 0.014269 LBFGSLineSearch: 5 18:53:43 -332.759382 0.008201 LBFGSLineSearch: 6 18:53:43 -332.759391 0.006826 LBFGSLineSearch: 7 18:53:43 -332.759395 0.005872 LBFGSLineSearch: 8 18:53:44 -332.759405 0.004437 LBFGSLineSearch: 9 18:53:44 -332.759415 0.007200 LBFGSLineSearch: 10 18:53:44 -332.759422 0.003147 LBFGSLineSearch: 11 18:53:44 -332.759424 0.003094 LBFGSLineSearch: 12 18:53:45 -332.759425 0.002270 LBFGSLineSearch: 13 18:53:45 -332.759427 0.002585 LBFGSLineSearch: 14 18:53:45 -332.759429 0.000759 LBFGSLineSearch: 15 18:53:45 -332.759429 0.000659 LBFGSLineSearch: 16 18:53:45 -332.759429 0.000779 LBFGSLineSearch: 17 18:53:45 -332.759429 0.000099 LBFGSLineSearch: 18 18:53:45 -332.759429 0.000077 LBFGSLineSearch: 19 18:53:46 -332.759429 0.000065 LBFGSLineSearch: 20 18:53:46 -332.759429 0.000017 LBFGSLineSearch: 21 18:53:46 -332.759429 0.000000 Minimization converged after 21 steps. Pressure: -168.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:53:51 -333.254147 0.035337 LBFGSLineSearch: 1 18:53:53 -333.254771 0.035140 LBFGSLineSearch: 2 18:53:54 -333.255085 0.045548 LBFGSLineSearch: 3 18:53:54 -333.255338 0.025849 LBFGSLineSearch: 4 18:53:54 -333.255416 0.017648 LBFGSLineSearch: 5 18:53:55 -333.255470 0.008748 LBFGSLineSearch: 6 18:53:56 -333.255490 0.008602 LBFGSLineSearch: 7 18:53:56 -333.255496 0.007734 LBFGSLineSearch: 8 18:53:56 -333.255500 0.005487 LBFGSLineSearch: 9 18:53:56 -333.255514 0.005073 LBFGSLineSearch: 10 18:53:57 -333.255520 0.004631 LBFGSLineSearch: 11 18:53:57 -333.255524 0.003634 LBFGSLineSearch: 12 18:53:57 -333.255526 0.003087 LBFGSLineSearch: 13 18:53:57 -333.255527 0.002432 LBFGSLineSearch: 14 18:53:58 -333.255528 0.001942 LBFGSLineSearch: 15 18:53:58 -333.255528 0.001753 LBFGSLineSearch: 16 18:53:58 -333.255529 0.002077 LBFGSLineSearch: 17 18:53:58 -333.255531 0.003006 LBFGSLineSearch: 18 18:53:58 -333.255532 0.002544 LBFGSLineSearch: 19 18:53:58 -333.255533 0.001885 LBFGSLineSearch: 20 18:53:59 -333.255535 0.001328 LBFGSLineSearch: 21 18:53:59 -333.255536 0.001211 LBFGSLineSearch: 22 18:53:59 -333.255536 0.000610 LBFGSLineSearch: 23 18:53:59 -333.255536 0.000173 LBFGSLineSearch: 24 18:53:59 -333.255536 0.000113 LBFGSLineSearch: 25 18:53:59 -333.255536 0.000040 LBFGSLineSearch: 26 18:53:59 -333.255536 0.000034 LBFGSLineSearch: 27 18:54:00 -333.255536 0.000020 LBFGSLineSearch: 28 18:54:01 -333.255536 0.000010 LBFGSLineSearch: 29 18:54:02 -333.255536 0.000001 Minimization converged after 29 steps. Pressure: -168.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:54:07 -333.753327 0.035557 LBFGSLineSearch: 1 18:54:08 -333.754024 0.034777 LBFGSLineSearch: 2 18:54:09 -333.754415 0.053076 LBFGSLineSearch: 3 18:54:10 -333.754923 0.034899 LBFGSLineSearch: 4 18:54:11 -333.755142 0.032579 LBFGSLineSearch: 5 18:54:11 -333.755226 0.017027 LBFGSLineSearch: 6 18:54:11 -333.755274 0.012892 LBFGSLineSearch: 7 18:54:11 -333.755292 0.015669 LBFGSLineSearch: 8 18:54:11 -333.755312 0.015797 LBFGSLineSearch: 9 18:54:12 -333.755376 0.012957 LBFGSLineSearch: 10 18:54:12 -333.755403 0.012458 LBFGSLineSearch: 11 18:54:12 -333.755429 0.006385 LBFGSLineSearch: 12 18:54:13 -333.755440 0.004881 LBFGSLineSearch: 13 18:54:13 -333.755445 0.003331 LBFGSLineSearch: 14 18:54:13 -333.755448 0.002741 LBFGSLineSearch: 15 18:54:14 -333.755450 0.002983 LBFGSLineSearch: 16 18:54:14 -333.755452 0.001628 LBFGSLineSearch: 17 18:54:15 -333.755452 0.001651 LBFGSLineSearch: 18 18:54:17 -333.755453 0.001786 LBFGSLineSearch: 19 18:54:18 -333.755454 0.001191 LBFGSLineSearch: 20 18:54:19 -333.755454 0.000534 LBFGSLineSearch: 21 18:54:19 -333.755454 0.000443 LBFGSLineSearch: 22 18:54:19 -333.755454 0.000287 LBFGSLineSearch: 23 18:54:20 -333.755454 0.000235 LBFGSLineSearch: 24 18:54:20 -333.755454 0.000015 LBFGSLineSearch: 25 18:54:20 -333.755454 0.000000 Minimization converged after 25 steps. Pressure: -169.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:54:26 -334.259106 0.035975 LBFGSLineSearch: 1 18:54:28 -334.259893 0.035498 LBFGSLineSearch: 2 18:54:29 -334.260608 0.092627 LBFGSLineSearch: 3 18:54:30 -334.262929 0.047832 LBFGSLineSearch: 4 18:54:33 -371.269861 11.419595 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 4 steps. Final forces: [[-1.16597245e-01 -2.03023695e-01 2.74776227e-01] [ 1.16597245e-01 -2.03023695e-01 -2.74776227e-01] [ 1.16597245e-01 2.03023695e-01 -2.74776227e-01] [-1.16597245e-01 2.03023695e-01 2.74776227e-01] [ 2.57976919e-17 -1.98272184e+00 -1.45443850e-16] [-6.51960493e-17 1.98272184e+00 1.44859100e-16] [-6.30110518e-01 -3.09003793e-01 1.41389083e-01] [ 6.30110518e-01 -3.09003793e-01 -1.41389083e-01] [ 6.30110518e-01 3.09003793e-01 -1.41389083e-01] [-6.30110518e-01 3.09003793e-01 1.41389083e-01] [ 2.14124011e+00 2.75783364e-01 5.55711686e-01] [-2.14124011e+00 2.75783364e-01 -5.55711686e-01] [-2.14124011e+00 -2.75783364e-01 -5.55711686e-01] [ 2.14124011e+00 -2.75783364e-01 5.55711686e-01]] Final stress: [ 4.67870741e-01 4.84351941e-01 5.03001830e-01 -9.26322864e-17 4.04969199e-02 2.31731499e-16] Pressure: -169.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 18:54:39 -372.117865 11.479703 Failed to get energy or crystal structure at pressure -169.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')