Model name? Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001 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": "Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001", "short-id": "SM_652425777808_001", "kimid-prefix": "Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC", "kimid-typecode": "sm", "kimid-number": "652425777808", "kimid-version": "001", "kimid-version-as-integer": 1, "name": "Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC", "type": "sm", "kimnum": "652425777808", "version": 1, "shortcode": "SM_652425777808", "kimcode": "Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001", "path": "sm/Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001", "approved": true, "_id": "Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001", "makeable": true, "subject": true, "driver": false, "content-origin": "NIST IPRP (https://www.ctcms.nist.gov/potentials/C.html#Fe-C)", "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3", "description": "Structural, elastic, and thermal properties of cementite (Fe3C) were studied using a modified embedded atom method (MEAM) potential for iron-carbon (Fe-C) alloys. Previously developed Fe and C single-element potentials were used to develop a Fe-C alloy MEAM potential, using a statistics-based optimization scheme to reproduce structural and elastic properties of cementite, the interstitial energies of C in bcc Fe, and heat of formation of Fe-C alloys in L12 and B1 structures. The stability of cementite was investigated by molecular dynamics simulations at high temperatures. The nine single-crystal elastic constants for cementite were obtained by computing total energies for strained cells. Polycrystalline elastic moduli for cementite were calculated from the single-crystal elastic constants of cementite. The formation energies of (001), (010), and (100) surfaces of cementite were also calculated. The melting temperature and the variation of specific heat and volume with respect to temperature were investigated by performing a two-phase (solid/liquid) molecular dynamics simulation of cementite. The predictions of the potential are in good agreement with first-principles calculations and experiments.\n\n\nHISTORY:\n\nChanges in version 001:\n* Change ibar parameter in library file to be integer rather than float to avoid LAMMPS type check error", "developer": [ "b57192f1-da1b-4c05-a8b9-4edafd03d7c0", "fc94aa47-3bf9-4fef-9173-f436a3a30fba", "6f3ea8df-d324-4d28-b691-30ab97b958ee", "7a150073-c3ee-40e3-abd8-a1ab25f0d27a", "30eff733-b49f-4782-a4bc-4e4aac77e2eb", "05936d64-2312-402a-9873-5b6799e9f6db", "f4be9acd-d607-496c-852a-789b0f31a02e" ], "doi": "10.25950/c339c239", "domain": "openkim.org", "executables": [], "kim-api-version": "2.2", "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3", "potential-type": "meam", "publication-year": "2021", "run-compatibility": "portable-models", "simulator-name": "LAMMPS", "simulator-potential": "meam", "source-citations": [ { "author": "Liyanage, Laalitha S. I. and Kim, Seong-Gon and Houze, Jeff and Kim, Sungho and Tschopp, Mark A. and Baskes, M. I. and Horstemeyer, M. F.", "doi": "10.1103/PhysRevB.89.094102", "issue": "9", "journal": "Phys. Rev. B", "month": "Mar", "numpages": "11", "pages": "094102", "publisher": "American Physical Society", "recordkey": "SM_652425777808_001a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Structural, elastic, and thermal properties of cementite (${\\mathrm{Fe}}_{3}C$) calculated using a modified embedded atom method", "url": "https://link.aps.org/doi/10.1103/PhysRevB.89.094102", "volume": "89", "year": "2014" } ], "species": [ "Fe", "C" ], "title": "LAMMPS MEAM potential for Fe-C developed by Liyanage et al. (2014) v001", "created_on": "2023-11-29 17:23:29.287488" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "simulator-model": "Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-SM_652425777808_001-1750699547-tr", "created_on": "2025-06-23 18:21:57.975985", "dependencies": [] }, "created_on": "2025-06-23 18:21:57.975985", "inserted_on": "2025-06-23 18:22:33.334188", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0002891595099695889 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:44:57 -71.345974 0.028013 LBFGSLineSearch: 1 16:44:58 -71.346385 0.006298 LBFGSLineSearch: 2 16:44:59 -71.346402 0.006023 LBFGSLineSearch: 3 16:45:00 -71.346416 0.004845 LBFGSLineSearch: 4 16:45:02 -71.346430 0.003636 LBFGSLineSearch: 5 16:45:04 -71.346433 0.002161 LBFGSLineSearch: 6 16:45:06 -71.346434 0.001805 LBFGSLineSearch: 7 16:45:08 -71.346435 0.001632 LBFGSLineSearch: 8 16:45:10 -71.346436 0.001252 LBFGSLineSearch: 9 16:45:12 -71.346436 0.001686 LBFGSLineSearch: 10 16:45:13 -71.346437 0.001322 LBFGSLineSearch: 11 16:45:15 -71.346438 0.000402 LBFGSLineSearch: 12 16:45:16 -71.346438 0.000409 LBFGSLineSearch: 13 16:45:17 -71.346438 0.000546 LBFGSLineSearch: 14 16:45:19 -71.346438 0.000382 LBFGSLineSearch: 15 16:45:20 -71.346438 0.000085 LBFGSLineSearch: 16 16:45:21 -71.346438 0.000089 LBFGSLineSearch: 17 16:45:22 -71.346438 0.000085 LBFGSLineSearch: 18 16:45:23 -71.346438 0.000088 LBFGSLineSearch: 19 16:45:24 -71.346438 0.000087 LBFGSLineSearch: 20 16:45:24 -71.346438 0.000084 LBFGSLineSearch: 21 16:45:24 -71.346438 0.000089 LBFGSLineSearch: 22 16:45:24 -71.346438 0.000054 LBFGSLineSearch: 23 16:45:25 -71.346438 0.000057 LBFGSLineSearch: 24 16:45:26 -71.346438 0.000025 LBFGSLineSearch: 25 16:45:27 -71.346438 0.000020 LBFGSLineSearch: 26 16:45:27 -71.346438 0.000009 Minimization converged after 26 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:45:35 -71.298559 0.003427 LBFGSLineSearch: 1 16:45:37 -71.298565 0.000757 LBFGSLineSearch: 2 16:45:37 -71.298565 0.000753 LBFGSLineSearch: 3 16:45:38 -71.298565 0.000595 LBFGSLineSearch: 4 16:45:38 -71.298565 0.000347 LBFGSLineSearch: 5 16:45:39 -71.298565 0.000249 LBFGSLineSearch: 6 16:45:40 -71.298565 0.000219 LBFGSLineSearch: 7 16:45:40 -71.298565 0.000187 LBFGSLineSearch: 8 16:45:41 -71.298565 0.000197 LBFGSLineSearch: 9 16:45:42 -71.298565 0.000129 LBFGSLineSearch: 10 16:45:43 -71.298565 0.000147 LBFGSLineSearch: 11 16:45:45 -71.298565 0.000100 LBFGSLineSearch: 12 16:45:46 -71.298565 0.000051 LBFGSLineSearch: 13 16:45:47 -71.298565 0.000047 LBFGSLineSearch: 14 16:45:47 -71.298565 0.000055 LBFGSLineSearch: 15 16:45:48 -71.298565 0.000031 LBFGSLineSearch: 16 16:45:49 -71.298565 0.000011 LBFGSLineSearch: 17 16:45:50 -71.298565 0.000011 LBFGSLineSearch: 18 16:45:51 -71.298565 0.000007 Minimization converged after 18 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:45:57 -71.244838 0.003844 LBFGSLineSearch: 1 16:45:59 -71.244846 0.000847 LBFGSLineSearch: 2 16:46:00 -71.244846 0.000842 LBFGSLineSearch: 3 16:46:01 -71.244846 0.000665 LBFGSLineSearch: 4 16:46:01 -71.244846 0.000390 LBFGSLineSearch: 5 16:46:03 -71.244846 0.000279 LBFGSLineSearch: 6 16:46:04 -71.244846 0.000224 LBFGSLineSearch: 7 16:46:04 -71.244846 0.000173 LBFGSLineSearch: 8 16:46:04 -71.244846 0.000166 LBFGSLineSearch: 9 16:46:05 -71.244846 0.000144 LBFGSLineSearch: 10 16:46:05 -71.244846 0.000055 LBFGSLineSearch: 11 16:46:05 -71.244846 0.000080 LBFGSLineSearch: 12 16:46:06 -71.244846 0.000048 LBFGSLineSearch: 13 16:46:06 -71.244846 0.000050 LBFGSLineSearch: 14 16:46:06 -71.244846 0.000051 LBFGSLineSearch: 15 16:46:07 -71.244846 0.000013 LBFGSLineSearch: 16 16:46:07 -71.244846 0.000013 LBFGSLineSearch: 17 16:46:07 -71.244846 0.000013 LBFGSLineSearch: 18 16:46:07 -71.244846 0.000008 Minimization converged after 18 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:46:15 -71.184559 0.004313 LBFGSLineSearch: 1 16:46:15 -71.184568 0.000945 LBFGSLineSearch: 2 16:46:16 -71.184569 0.000944 LBFGSLineSearch: 3 16:46:17 -71.184569 0.000745 LBFGSLineSearch: 4 16:46:19 -71.184569 0.000435 LBFGSLineSearch: 5 16:46:21 -71.184569 0.000314 LBFGSLineSearch: 6 16:46:22 -71.184570 0.000250 LBFGSLineSearch: 7 16:46:23 -71.184570 0.000190 LBFGSLineSearch: 8 16:46:24 -71.184570 0.000183 LBFGSLineSearch: 9 16:46:24 -71.184570 0.000161 LBFGSLineSearch: 10 16:46:24 -71.184570 0.000062 LBFGSLineSearch: 11 16:46:25 -71.184570 0.000072 LBFGSLineSearch: 12 16:46:26 -71.184570 0.000049 LBFGSLineSearch: 13 16:46:28 -71.184570 0.000055 LBFGSLineSearch: 14 16:46:29 -71.184570 0.000055 LBFGSLineSearch: 15 16:46:31 -71.184570 0.000015 LBFGSLineSearch: 16 16:46:33 -71.184570 0.000015 LBFGSLineSearch: 17 16:46:34 -71.184570 0.000014 LBFGSLineSearch: 18 16:46:34 -71.184570 0.000009 Minimization converged after 18 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:46:41 -71.116923 0.004840 LBFGSLineSearch: 1 16:46:43 -71.116935 0.001055 LBFGSLineSearch: 2 16:46:45 -71.116936 0.001058 LBFGSLineSearch: 3 16:46:47 -71.116936 0.000835 LBFGSLineSearch: 4 16:46:48 -71.116937 0.000487 LBFGSLineSearch: 5 16:46:48 -71.116937 0.000351 LBFGSLineSearch: 6 16:46:49 -71.116937 0.000281 LBFGSLineSearch: 7 16:46:49 -71.116937 0.000212 LBFGSLineSearch: 8 16:46:50 -71.116937 0.000205 LBFGSLineSearch: 9 16:46:50 -71.116937 0.000181 LBFGSLineSearch: 10 16:46:51 -71.116937 0.000071 LBFGSLineSearch: 11 16:46:51 -71.116937 0.000066 LBFGSLineSearch: 12 16:46:51 -71.116937 0.000101 LBFGSLineSearch: 13 16:46:52 -71.116937 0.000037 LBFGSLineSearch: 14 16:46:52 -71.116937 0.000017 LBFGSLineSearch: 15 16:46:53 -71.116937 0.000017 LBFGSLineSearch: 16 16:46:55 -71.116937 0.000016 LBFGSLineSearch: 17 16:46:56 -71.116937 0.000011 LBFGSLineSearch: 18 16:46:56 -71.116937 0.000008 Minimization converged after 18 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:04 -71.041037 0.005422 LBFGSLineSearch: 1 16:47:05 -71.041052 0.001170 LBFGSLineSearch: 2 16:47:06 -71.041053 0.001184 LBFGSLineSearch: 3 16:47:07 -71.041053 0.000932 LBFGSLineSearch: 4 16:47:07 -71.041054 0.000548 LBFGSLineSearch: 5 16:47:08 -71.041054 0.000388 LBFGSLineSearch: 6 16:47:10 -71.041054 0.000313 LBFGSLineSearch: 7 16:47:10 -71.041054 0.000232 LBFGSLineSearch: 8 16:47:10 -71.041054 0.000228 LBFGSLineSearch: 9 16:47:11 -71.041054 0.000205 LBFGSLineSearch: 10 16:47:12 -71.041054 0.000077 LBFGSLineSearch: 11 16:47:13 -71.041054 0.000069 LBFGSLineSearch: 12 16:47:13 -71.041054 0.000101 LBFGSLineSearch: 13 16:47:14 -71.041054 0.000034 LBFGSLineSearch: 14 16:47:14 -71.041054 0.000018 LBFGSLineSearch: 15 16:47:15 -71.041054 0.000018 LBFGSLineSearch: 16 16:47:16 -71.041054 0.000017 LBFGSLineSearch: 17 16:47:18 -71.041054 0.000011 LBFGSLineSearch: 18 16:47:20 -71.041054 0.000004 Minimization converged after 18 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:26 -70.955898 0.006083 LBFGSLineSearch: 1 16:47:28 -70.955917 0.001307 LBFGSLineSearch: 2 16:47:31 -70.955918 0.001329 LBFGSLineSearch: 3 16:47:33 -70.955919 0.001045 LBFGSLineSearch: 4 16:47:35 -70.955919 0.000610 LBFGSLineSearch: 5 16:47:37 -70.955919 0.000439 LBFGSLineSearch: 6 16:47:38 -70.955919 0.000353 LBFGSLineSearch: 7 16:47:40 -70.955920 0.000261 LBFGSLineSearch: 8 16:47:42 -70.955920 0.000257 LBFGSLineSearch: 9 16:47:44 -70.955920 0.000230 LBFGSLineSearch: 10 16:47:46 -70.955920 0.000088 LBFGSLineSearch: 11 16:47:46 -70.955920 0.000075 LBFGSLineSearch: 12 16:47:46 -70.955920 0.000100 LBFGSLineSearch: 13 16:47:47 -70.955920 0.000032 LBFGSLineSearch: 14 16:47:47 -70.955920 0.000020 LBFGSLineSearch: 15 16:47:47 -70.955920 0.000020 LBFGSLineSearch: 16 16:47:48 -70.955920 0.000019 LBFGSLineSearch: 17 16:47:48 -70.955920 0.000012 LBFGSLineSearch: 18 16:47:48 -70.955920 0.000003 Minimization converged after 18 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:55 -70.860383 0.006825 LBFGSLineSearch: 1 16:47:55 -70.860408 0.001455 LBFGSLineSearch: 2 16:47:55 -70.860408 0.001490 LBFGSLineSearch: 3 16:47:56 -70.860409 0.001170 LBFGSLineSearch: 4 16:47:56 -70.860410 0.000681 LBFGSLineSearch: 5 16:47:56 -70.860410 0.000492 LBFGSLineSearch: 6 16:47:56 -70.860410 0.000395 LBFGSLineSearch: 7 16:47:56 -70.860410 0.000289 LBFGSLineSearch: 8 16:47:57 -70.860410 0.000282 LBFGSLineSearch: 9 16:47:57 -70.860410 0.000258 LBFGSLineSearch: 10 16:47:57 -70.860410 0.000098 LBFGSLineSearch: 11 16:47:57 -70.860410 0.000082 LBFGSLineSearch: 12 16:47:57 -70.860410 0.000098 LBFGSLineSearch: 13 16:47:57 -70.860410 0.000034 LBFGSLineSearch: 14 16:47:57 -70.860410 0.000023 LBFGSLineSearch: 15 16:47:57 -70.860410 0.000021 LBFGSLineSearch: 16 16:47:57 -70.860410 0.000014 LBFGSLineSearch: 17 16:47:58 -70.860410 0.000014 LBFGSLineSearch: 18 16:47:58 -70.860410 0.000003 Minimization converged after 18 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:48:05 -70.753235 0.007658 LBFGSLineSearch: 1 16:48:08 -70.753266 0.001619 LBFGSLineSearch: 2 16:48:08 -70.753267 0.001670 LBFGSLineSearch: 3 16:48:08 -70.753268 0.001310 LBFGSLineSearch: 4 16:48:09 -70.753269 0.000757 LBFGSLineSearch: 5 16:48:10 -70.753269 0.000554 LBFGSLineSearch: 6 16:48:11 -70.753269 0.000443 LBFGSLineSearch: 7 16:48:11 -70.753269 0.000322 LBFGSLineSearch: 8 16:48:12 -70.753269 0.000307 LBFGSLineSearch: 9 16:48:12 -70.753269 0.000285 LBFGSLineSearch: 10 16:48:13 -70.753269 0.000110 LBFGSLineSearch: 11 16:48:13 -70.753269 0.000090 LBFGSLineSearch: 12 16:48:14 -70.753269 0.000105 LBFGSLineSearch: 13 16:48:15 -70.753269 0.000094 LBFGSLineSearch: 14 16:48:16 -70.753269 0.000026 LBFGSLineSearch: 15 16:48:17 -70.753269 0.000025 LBFGSLineSearch: 16 16:48:17 -70.753269 0.000023 LBFGSLineSearch: 17 16:48:18 -70.753269 0.000029 LBFGSLineSearch: 18 16:48:18 -70.753269 0.000015 LBFGSLineSearch: 19 16:48:18 -70.753269 0.000014 LBFGSLineSearch: 20 16:48:18 -70.753269 0.000003 Minimization converged after 20 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:48:25 -70.633045 0.008590 LBFGSLineSearch: 1 16:48:26 -70.633084 0.001797 LBFGSLineSearch: 2 16:48:27 -70.633085 0.001867 LBFGSLineSearch: 3 16:48:28 -70.633086 0.001466 LBFGSLineSearch: 4 16:48:30 -70.633087 0.000848 LBFGSLineSearch: 5 16:48:31 -70.633088 0.000626 LBFGSLineSearch: 6 16:48:32 -70.633088 0.000478 LBFGSLineSearch: 7 16:48:32 -70.633088 0.000481 LBFGSLineSearch: 8 16:48:33 -70.633088 0.000442 LBFGSLineSearch: 9 16:48:35 -70.633088 0.000368 LBFGSLineSearch: 10 16:48:37 -70.633088 0.000206 LBFGSLineSearch: 11 16:48:37 -70.633088 0.000229 LBFGSLineSearch: 12 16:48:38 -70.633088 0.000190 LBFGSLineSearch: 13 16:48:39 -70.633088 0.000103 LBFGSLineSearch: 14 16:48:39 -70.633088 0.000152 LBFGSLineSearch: 15 16:48:39 -70.633088 0.000079 LBFGSLineSearch: 16 16:48:40 -70.633088 0.000080 LBFGSLineSearch: 17 16:48:40 -70.633088 0.000071 LBFGSLineSearch: 18 16:48:40 -70.633088 0.000028 LBFGSLineSearch: 19 16:48:40 -70.633088 0.000028 LBFGSLineSearch: 20 16:48:40 -70.633088 0.000043 LBFGSLineSearch: 21 16:48:40 -70.633088 0.000022 LBFGSLineSearch: 22 16:48:40 -70.633088 0.000016 LBFGSLineSearch: 23 16:48:41 -70.633088 0.000013 LBFGSLineSearch: 24 16:48:42 -70.633088 0.000003 Minimization converged after 24 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:48:49 -70.498237 0.009635 LBFGSLineSearch: 1 16:48:50 -70.498285 0.001991 LBFGSLineSearch: 2 16:48:51 -70.498286 0.002089 LBFGSLineSearch: 3 16:48:51 -70.498288 0.001640 LBFGSLineSearch: 4 16:48:51 -70.498290 0.000946 LBFGSLineSearch: 5 16:48:51 -70.498290 0.000717 LBFGSLineSearch: 6 16:48:51 -70.498290 0.000543 LBFGSLineSearch: 7 16:48:51 -70.498290 0.000536 LBFGSLineSearch: 8 16:48:51 -70.498290 0.000399 LBFGSLineSearch: 9 16:48:51 -70.498290 0.000469 LBFGSLineSearch: 10 16:48:51 -70.498290 0.000318 LBFGSLineSearch: 11 16:48:52 -70.498290 0.000130 LBFGSLineSearch: 12 16:48:52 -70.498290 0.000135 LBFGSLineSearch: 13 16:48:52 -70.498290 0.000107 LBFGSLineSearch: 14 16:48:53 -70.498290 0.000035 LBFGSLineSearch: 15 16:48:54 -70.498290 0.000032 LBFGSLineSearch: 16 16:48:54 -70.498290 0.000030 LBFGSLineSearch: 17 16:48:54 -70.498290 0.000029 LBFGSLineSearch: 18 16:48:54 -70.498290 0.000016 LBFGSLineSearch: 19 16:48:54 -70.498290 0.000016 LBFGSLineSearch: 20 16:48:55 -70.498290 0.000004 Minimization converged after 20 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:01 -70.347045 0.010807 LBFGSLineSearch: 1 16:49:01 -70.347105 0.002202 LBFGSLineSearch: 2 16:49:01 -70.347107 0.002335 LBFGSLineSearch: 3 16:49:02 -70.347109 0.001833 LBFGSLineSearch: 4 16:49:02 -70.347111 0.001056 LBFGSLineSearch: 5 16:49:02 -70.347111 0.000800 LBFGSLineSearch: 6 16:49:03 -70.347111 0.000606 LBFGSLineSearch: 7 16:49:03 -70.347111 0.000599 LBFGSLineSearch: 8 16:49:03 -70.347111 0.000462 LBFGSLineSearch: 9 16:49:03 -70.347111 0.000508 LBFGSLineSearch: 10 16:49:03 -70.347112 0.000250 LBFGSLineSearch: 11 16:49:03 -70.347112 0.000288 LBFGSLineSearch: 12 16:49:03 -70.347112 0.000241 LBFGSLineSearch: 13 16:49:04 -70.347112 0.000126 LBFGSLineSearch: 14 16:49:04 -70.347112 0.000168 LBFGSLineSearch: 15 16:49:04 -70.347112 0.000116 LBFGSLineSearch: 16 16:49:05 -70.347112 0.000104 LBFGSLineSearch: 17 16:49:05 -70.347112 0.000045 LBFGSLineSearch: 18 16:49:05 -70.347112 0.000036 LBFGSLineSearch: 19 16:49:06 -70.347112 0.000053 LBFGSLineSearch: 20 16:49:06 -70.347112 0.000029 LBFGSLineSearch: 21 16:49:06 -70.347112 0.000021 LBFGSLineSearch: 22 16:49:07 -70.347112 0.000014 LBFGSLineSearch: 23 16:49:07 -70.347112 0.000012 LBFGSLineSearch: 24 16:49:07 -70.347112 0.000004 Minimization converged after 24 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:14 -70.177494 0.012120 LBFGSLineSearch: 1 16:49:16 -70.177570 0.002433 LBFGSLineSearch: 2 16:49:17 -70.177572 0.002610 LBFGSLineSearch: 3 16:49:18 -70.177574 0.002049 LBFGSLineSearch: 4 16:49:19 -70.177577 0.001176 LBFGSLineSearch: 5 16:49:20 -70.177577 0.000894 LBFGSLineSearch: 6 16:49:20 -70.177577 0.000678 LBFGSLineSearch: 7 16:49:21 -70.177578 0.000671 LBFGSLineSearch: 8 16:49:22 -70.177578 0.000533 LBFGSLineSearch: 9 16:49:23 -70.177578 0.000432 LBFGSLineSearch: 10 16:49:24 -70.177578 0.000592 LBFGSLineSearch: 11 16:49:24 -70.177578 0.000339 LBFGSLineSearch: 12 16:49:25 -70.177578 0.000153 LBFGSLineSearch: 13 16:49:25 -70.177578 0.000150 LBFGSLineSearch: 14 16:49:25 -70.177578 0.000061 LBFGSLineSearch: 15 16:49:25 -70.177578 0.000041 LBFGSLineSearch: 16 16:49:25 -70.177578 0.000054 LBFGSLineSearch: 17 16:49:26 -70.177578 0.000035 LBFGSLineSearch: 18 16:49:26 -70.177578 0.000023 LBFGSLineSearch: 19 16:49:26 -70.177578 0.000016 LBFGSLineSearch: 20 16:49:26 -70.177578 0.000011 LBFGSLineSearch: 21 16:49:26 -70.177578 0.000006 Minimization converged after 21 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:33 -69.987377 0.013592 LBFGSLineSearch: 1 16:49:34 -69.987471 0.002731 LBFGSLineSearch: 2 16:49:34 -69.987474 0.002916 LBFGSLineSearch: 3 16:49:34 -69.987477 0.002291 LBFGSLineSearch: 4 16:49:34 -69.987480 0.001309 LBFGSLineSearch: 5 16:49:34 -69.987481 0.000998 LBFGSLineSearch: 6 16:49:34 -69.987481 0.000758 LBFGSLineSearch: 7 16:49:34 -69.987481 0.000750 LBFGSLineSearch: 8 16:49:34 -69.987481 0.000612 LBFGSLineSearch: 9 16:49:34 -69.987481 0.000485 LBFGSLineSearch: 10 16:49:34 -69.987481 0.000669 LBFGSLineSearch: 11 16:49:35 -69.987482 0.000379 LBFGSLineSearch: 12 16:49:35 -69.987482 0.000169 LBFGSLineSearch: 13 16:49:35 -69.987482 0.000165 LBFGSLineSearch: 14 16:49:35 -69.987482 0.000077 LBFGSLineSearch: 15 16:49:35 -69.987482 0.000047 LBFGSLineSearch: 16 16:49:35 -69.987482 0.000053 LBFGSLineSearch: 17 16:49:35 -69.987482 0.000037 LBFGSLineSearch: 18 16:49:35 -69.987482 0.000025 LBFGSLineSearch: 19 16:49:35 -69.987482 0.000020 LBFGSLineSearch: 20 16:49:35 -69.987482 0.000018 LBFGSLineSearch: 21 16:49:35 -69.987482 0.000010 Minimization converged after 21 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:42 -69.774223 0.015238 LBFGSLineSearch: 1 16:49:43 -69.774341 0.003065 LBFGSLineSearch: 2 16:49:43 -69.774345 0.003257 LBFGSLineSearch: 3 16:49:43 -69.774348 0.002559 LBFGSLineSearch: 4 16:49:43 -69.774352 0.001455 LBFGSLineSearch: 5 16:49:43 -69.774353 0.001114 LBFGSLineSearch: 6 16:49:43 -69.774353 0.000847 LBFGSLineSearch: 7 16:49:44 -69.774353 0.000839 LBFGSLineSearch: 8 16:49:44 -69.774354 0.000686 LBFGSLineSearch: 9 16:49:44 -69.774354 0.000544 LBFGSLineSearch: 10 16:49:44 -69.774354 0.000752 LBFGSLineSearch: 11 16:49:44 -69.774354 0.000423 LBFGSLineSearch: 12 16:49:44 -69.774354 0.000186 LBFGSLineSearch: 13 16:49:44 -69.774354 0.000180 LBFGSLineSearch: 14 16:49:44 -69.774354 0.000080 LBFGSLineSearch: 15 16:49:44 -69.774354 0.000053 LBFGSLineSearch: 16 16:49:44 -69.774354 0.000052 LBFGSLineSearch: 17 16:49:44 -69.774354 0.000025 LBFGSLineSearch: 18 16:49:44 -69.774354 0.000022 LBFGSLineSearch: 19 16:49:44 -69.774354 0.000029 LBFGSLineSearch: 20 16:49:45 -69.774354 0.000009 Minimization converged after 20 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:52 -69.535273 0.017086 LBFGSLineSearch: 1 16:49:52 -69.535421 0.003440 LBFGSLineSearch: 2 16:49:53 -69.535426 0.003635 LBFGSLineSearch: 3 16:49:53 -69.535430 0.002857 LBFGSLineSearch: 4 16:49:53 -69.535435 0.001618 LBFGSLineSearch: 5 16:49:54 -69.535436 0.001239 LBFGSLineSearch: 6 16:49:55 -69.535436 0.000946 LBFGSLineSearch: 7 16:49:55 -69.535436 0.000937 LBFGSLineSearch: 8 16:49:56 -69.535436 0.000763 LBFGSLineSearch: 9 16:49:56 -69.535436 0.000610 LBFGSLineSearch: 10 16:49:57 -69.535437 0.000845 LBFGSLineSearch: 11 16:49:57 -69.535437 0.000472 LBFGSLineSearch: 12 16:49:58 -69.535437 0.000205 LBFGSLineSearch: 13 16:49:58 -69.535437 0.000197 LBFGSLineSearch: 14 16:49:59 -69.535437 0.000098 LBFGSLineSearch: 15 16:49:59 -69.535437 0.000063 LBFGSLineSearch: 16 16:50:00 -69.535437 0.000058 LBFGSLineSearch: 17 16:50:00 -69.535437 0.000048 LBFGSLineSearch: 18 16:50:00 -69.535437 0.000084 LBFGSLineSearch: 19 16:50:00 -69.535437 0.000027 LBFGSLineSearch: 20 16:50:01 -69.535437 0.000023 LBFGSLineSearch: 21 16:50:01 -69.535437 0.000011 LBFGSLineSearch: 22 16:50:02 -69.535437 0.000010 LBFGSLineSearch: 23 16:50:03 -69.535437 0.000005 Minimization converged after 23 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:50:11 -69.267445 0.019147 LBFGSLineSearch: 1 16:50:12 -69.267630 0.003857 LBFGSLineSearch: 2 16:50:13 -69.267635 0.004053 LBFGSLineSearch: 3 16:50:14 -69.267641 0.003183 LBFGSLineSearch: 4 16:50:14 -69.267647 0.001802 LBFGSLineSearch: 5 16:50:14 -69.267648 0.001377 LBFGSLineSearch: 6 16:50:15 -69.267648 0.001056 LBFGSLineSearch: 7 16:50:15 -69.267648 0.001045 LBFGSLineSearch: 8 16:50:16 -69.267648 0.000848 LBFGSLineSearch: 9 16:50:17 -69.267649 0.000686 LBFGSLineSearch: 10 16:50:20 -69.267649 0.000957 LBFGSLineSearch: 11 16:50:21 -69.267649 0.000525 LBFGSLineSearch: 12 16:50:22 -69.267649 0.000225 LBFGSLineSearch: 13 16:50:24 -69.267649 0.000213 LBFGSLineSearch: 14 16:50:25 -69.267649 0.000110 LBFGSLineSearch: 15 16:50:26 -69.267649 0.000067 LBFGSLineSearch: 16 16:50:27 -69.267649 0.000060 LBFGSLineSearch: 17 16:50:27 -69.267649 0.000051 LBFGSLineSearch: 18 16:50:27 -69.267649 0.000087 LBFGSLineSearch: 19 16:50:27 -69.267649 0.000023 LBFGSLineSearch: 20 16:50:27 -69.267649 0.000030 LBFGSLineSearch: 21 16:50:27 -69.267649 0.000019 LBFGSLineSearch: 22 16:50:27 -69.267649 0.000012 LBFGSLineSearch: 23 16:50:27 -69.267649 0.000011 LBFGSLineSearch: 24 16:50:27 -69.267649 0.000006 Minimization converged after 24 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:50:34 -68.967296 0.021458 LBFGSLineSearch: 1 16:50:35 -68.967528 0.004325 LBFGSLineSearch: 2 16:50:35 -68.967534 0.004515 LBFGSLineSearch: 3 16:50:35 -68.967540 0.003545 LBFGSLineSearch: 4 16:50:35 -68.967548 0.002006 LBFGSLineSearch: 5 16:50:36 -68.967549 0.001528 LBFGSLineSearch: 6 16:50:36 -68.967549 0.001177 LBFGSLineSearch: 7 16:50:36 -68.967550 0.001166 LBFGSLineSearch: 8 16:50:36 -68.967550 0.000940 LBFGSLineSearch: 9 16:50:36 -68.967550 0.000772 LBFGSLineSearch: 10 16:50:37 -68.967550 0.001085 LBFGSLineSearch: 11 16:50:37 -68.967551 0.000582 LBFGSLineSearch: 12 16:50:37 -68.967551 0.000246 LBFGSLineSearch: 13 16:50:38 -68.967551 0.000230 LBFGSLineSearch: 14 16:50:38 -68.967551 0.000122 LBFGSLineSearch: 15 16:50:38 -68.967551 0.000071 LBFGSLineSearch: 16 16:50:38 -68.967551 0.000071 LBFGSLineSearch: 17 16:50:39 -68.967551 0.000052 LBFGSLineSearch: 18 16:50:39 -68.967551 0.000086 LBFGSLineSearch: 19 16:50:40 -68.967551 0.000056 LBFGSLineSearch: 20 16:50:40 -68.967551 0.000030 LBFGSLineSearch: 21 16:50:40 -68.967551 0.000016 LBFGSLineSearch: 22 16:50:41 -68.967551 0.000013 LBFGSLineSearch: 23 16:50:41 -68.967551 0.000006 Minimization converged after 23 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:50:47 -68.630987 0.024045 LBFGSLineSearch: 1 16:50:49 -68.631276 0.004852 LBFGSLineSearch: 2 16:50:50 -68.631283 0.005028 LBFGSLineSearch: 3 16:50:52 -68.631291 0.003946 LBFGSLineSearch: 4 16:50:53 -68.631300 0.002226 LBFGSLineSearch: 5 16:50:55 -68.631301 0.001693 LBFGSLineSearch: 6 16:50:57 -68.631302 0.001311 LBFGSLineSearch: 7 16:50:57 -68.631302 0.001298 LBFGSLineSearch: 8 16:50:57 -68.631303 0.001039 LBFGSLineSearch: 9 16:50:57 -68.631303 0.000868 LBFGSLineSearch: 10 16:50:57 -68.631303 0.001226 LBFGSLineSearch: 11 16:50:58 -68.631304 0.000642 LBFGSLineSearch: 12 16:50:58 -68.631304 0.000265 LBFGSLineSearch: 13 16:50:58 -68.631304 0.000334 LBFGSLineSearch: 14 16:50:58 -68.631304 0.000224 LBFGSLineSearch: 15 16:50:58 -68.631304 0.000078 LBFGSLineSearch: 16 16:50:58 -68.631304 0.000068 LBFGSLineSearch: 17 16:50:58 -68.631304 0.000098 LBFGSLineSearch: 18 16:50:58 -68.631304 0.000062 LBFGSLineSearch: 19 16:50:58 -68.631304 0.000035 LBFGSLineSearch: 20 16:50:58 -68.631304 0.000031 LBFGSLineSearch: 21 16:50:59 -68.631304 0.000028 LBFGSLineSearch: 22 16:50:59 -68.631304 0.000013 LBFGSLineSearch: 23 16:50:59 -68.631304 0.000013 LBFGSLineSearch: 24 16:50:59 -68.631304 0.000007 Minimization converged after 24 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:05 -68.254234 0.026939 LBFGSLineSearch: 1 16:51:06 -68.254595 0.005441 LBFGSLineSearch: 2 16:51:06 -68.254603 0.005593 LBFGSLineSearch: 3 16:51:07 -68.254613 0.004391 LBFGSLineSearch: 4 16:51:07 -68.254624 0.002475 LBFGSLineSearch: 5 16:51:08 -68.254625 0.001873 LBFGSLineSearch: 6 16:51:08 -68.254626 0.001459 LBFGSLineSearch: 7 16:51:10 -68.254626 0.001443 LBFGSLineSearch: 8 16:51:11 -68.254627 0.001147 LBFGSLineSearch: 9 16:51:11 -68.254627 0.000977 LBFGSLineSearch: 10 16:51:12 -68.254628 0.001392 LBFGSLineSearch: 11 16:51:12 -68.254628 0.000709 LBFGSLineSearch: 12 16:51:12 -68.254629 0.000288 LBFGSLineSearch: 13 16:51:13 -68.254629 0.000353 LBFGSLineSearch: 14 16:51:13 -68.254629 0.000238 LBFGSLineSearch: 15 16:51:14 -68.254629 0.000085 LBFGSLineSearch: 16 16:51:14 -68.254629 0.000075 LBFGSLineSearch: 17 16:51:14 -68.254629 0.000100 LBFGSLineSearch: 18 16:51:14 -68.254629 0.000055 LBFGSLineSearch: 19 16:51:15 -68.254629 0.000040 LBFGSLineSearch: 20 16:51:15 -68.254629 0.000038 LBFGSLineSearch: 21 16:51:16 -68.254629 0.000015 LBFGSLineSearch: 22 16:51:17 -68.254629 0.000014 LBFGSLineSearch: 23 16:51:18 -68.254629 0.000011 LBFGSLineSearch: 24 16:51:18 -68.254629 0.000007 Minimization converged after 24 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:25 -67.832266 0.030173 LBFGSLineSearch: 1 16:51:25 -67.832715 0.006091 LBFGSLineSearch: 2 16:51:26 -67.832724 0.006206 LBFGSLineSearch: 3 16:51:26 -67.832736 0.004882 LBFGSLineSearch: 4 16:51:27 -67.832749 0.002754 LBFGSLineSearch: 5 16:51:28 -67.832751 0.002070 LBFGSLineSearch: 6 16:51:29 -67.832752 0.001620 LBFGSLineSearch: 7 16:51:30 -67.832753 0.001606 LBFGSLineSearch: 8 16:51:31 -67.832753 0.001259 LBFGSLineSearch: 9 16:51:32 -67.832754 0.001101 LBFGSLineSearch: 10 16:51:33 -67.832754 0.001581 LBFGSLineSearch: 11 16:51:34 -67.832755 0.000782 LBFGSLineSearch: 12 16:51:35 -67.832755 0.000312 LBFGSLineSearch: 13 16:51:35 -67.832755 0.000352 LBFGSLineSearch: 14 16:51:36 -67.832755 0.000249 LBFGSLineSearch: 15 16:51:36 -67.832755 0.000091 LBFGSLineSearch: 16 16:51:37 -67.832755 0.000078 LBFGSLineSearch: 17 16:51:38 -67.832755 0.000100 LBFGSLineSearch: 18 16:51:38 -67.832755 0.000043 LBFGSLineSearch: 19 16:51:39 -67.832755 0.000047 LBFGSLineSearch: 20 16:51:40 -67.832755 0.000045 LBFGSLineSearch: 21 16:51:40 -67.832755 0.000016 LBFGSLineSearch: 22 16:51:41 -67.832755 0.000014 LBFGSLineSearch: 23 16:51:42 -67.832755 0.000007 Minimization converged after 23 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:49 -67.359765 0.033790 LBFGSLineSearch: 1 16:51:50 -67.360324 0.006842 LBFGSLineSearch: 2 16:51:50 -67.360335 0.006902 LBFGSLineSearch: 3 16:51:51 -67.360350 0.005424 LBFGSLineSearch: 4 16:51:52 -67.360365 0.003039 LBFGSLineSearch: 5 16:51:53 -67.360368 0.002278 LBFGSLineSearch: 6 16:51:54 -67.360369 0.001794 LBFGSLineSearch: 7 16:51:54 -67.360369 0.001779 LBFGSLineSearch: 8 16:51:54 -67.360370 0.001374 LBFGSLineSearch: 9 16:51:55 -67.360371 0.001691 LBFGSLineSearch: 10 16:51:55 -67.360372 0.000752 LBFGSLineSearch: 11 16:51:56 -67.360372 0.000812 LBFGSLineSearch: 12 16:51:56 -67.360373 0.000608 LBFGSLineSearch: 13 16:51:56 -67.360373 0.000317 LBFGSLineSearch: 14 16:51:56 -67.360373 0.000261 LBFGSLineSearch: 15 16:51:56 -67.360373 0.000099 LBFGSLineSearch: 16 16:51:56 -67.360373 0.000087 LBFGSLineSearch: 17 16:51:56 -67.360373 0.000080 LBFGSLineSearch: 18 16:51:56 -67.360373 0.000096 LBFGSLineSearch: 19 16:51:57 -67.360373 0.000087 LBFGSLineSearch: 20 16:51:57 -67.360373 0.000075 LBFGSLineSearch: 21 16:51:57 -67.360373 0.000042 LBFGSLineSearch: 22 16:51:57 -67.360373 0.000015 LBFGSLineSearch: 23 16:51:57 -67.360373 0.000014 LBFGSLineSearch: 24 16:51:57 -67.360373 0.000006 Minimization converged after 24 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:04 -66.830819 0.037829 LBFGSLineSearch: 1 16:52:04 -66.831512 0.007720 LBFGSLineSearch: 2 16:52:05 -66.831525 0.007696 LBFGSLineSearch: 3 16:52:05 -66.831544 0.006015 LBFGSLineSearch: 4 16:52:05 -66.831562 0.003324 LBFGSLineSearch: 5 16:52:07 -66.831565 0.002495 LBFGSLineSearch: 6 16:52:08 -66.831566 0.001975 LBFGSLineSearch: 7 16:52:09 -66.831566 0.001959 LBFGSLineSearch: 8 16:52:09 -66.831568 0.001499 LBFGSLineSearch: 9 16:52:10 -66.831568 0.001917 LBFGSLineSearch: 10 16:52:10 -66.831570 0.000874 LBFGSLineSearch: 11 16:52:11 -66.831570 0.000865 LBFGSLineSearch: 12 16:52:11 -66.831570 0.000578 LBFGSLineSearch: 13 16:52:11 -66.831570 0.000380 LBFGSLineSearch: 14 16:52:11 -66.831570 0.000293 LBFGSLineSearch: 15 16:52:11 -66.831570 0.000290 LBFGSLineSearch: 16 16:52:11 -66.831570 0.000218 LBFGSLineSearch: 17 16:52:11 -66.831570 0.000139 LBFGSLineSearch: 18 16:52:12 -66.831570 0.000102 LBFGSLineSearch: 19 16:52:12 -66.831570 0.000100 LBFGSLineSearch: 20 16:52:12 -66.831570 0.000099 LBFGSLineSearch: 21 16:52:12 -66.831570 0.000052 LBFGSLineSearch: 22 16:52:12 -66.831570 0.000020 LBFGSLineSearch: 23 16:52:13 -66.831570 0.000015 LBFGSLineSearch: 24 16:52:13 -66.831570 0.000006 Minimization converged after 24 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:20 -66.238848 0.042339 LBFGSLineSearch: 1 16:52:21 -66.239708 0.008710 LBFGSLineSearch: 2 16:52:21 -66.239726 0.008434 LBFGSLineSearch: 3 16:52:22 -66.239764 0.004343 LBFGSLineSearch: 4 16:52:24 -66.239768 0.002887 LBFGSLineSearch: 5 16:52:25 -66.239771 0.002369 LBFGSLineSearch: 6 16:52:25 -66.239772 0.002032 LBFGSLineSearch: 7 16:52:26 -66.239773 0.001707 LBFGSLineSearch: 8 16:52:26 -66.239773 0.002182 LBFGSLineSearch: 9 16:52:26 -66.239775 0.001483 LBFGSLineSearch: 10 16:52:26 -66.239776 0.000487 LBFGSLineSearch: 11 16:52:26 -66.239776 0.000308 LBFGSLineSearch: 12 16:52:26 -66.239776 0.000260 LBFGSLineSearch: 13 16:52:27 -66.239776 0.000114 LBFGSLineSearch: 14 16:52:27 -66.239776 0.000096 LBFGSLineSearch: 15 16:52:27 -66.239776 0.000111 LBFGSLineSearch: 16 16:52:27 -66.239776 0.000067 LBFGSLineSearch: 17 16:52:27 -66.239776 0.000056 LBFGSLineSearch: 18 16:52:27 -66.239776 0.000075 LBFGSLineSearch: 19 16:52:27 -66.239776 0.000029 LBFGSLineSearch: 20 16:52:28 -66.239776 0.000017 LBFGSLineSearch: 21 16:52:28 -66.239776 0.000017 LBFGSLineSearch: 22 16:52:29 -66.239776 0.000007 Minimization converged after 22 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:37 -65.576544 0.047374 LBFGSLineSearch: 1 16:52:39 -65.577608 0.009859 LBFGSLineSearch: 2 16:52:39 -65.577632 0.009106 LBFGSLineSearch: 3 16:52:40 -65.577675 0.004748 LBFGSLineSearch: 4 16:52:40 -65.577680 0.003134 LBFGSLineSearch: 5 16:52:40 -65.577682 0.002613 LBFGSLineSearch: 6 16:52:40 -65.577684 0.002179 LBFGSLineSearch: 7 16:52:40 -65.577685 0.001854 LBFGSLineSearch: 8 16:52:41 -65.577686 0.002427 LBFGSLineSearch: 9 16:52:42 -65.577688 0.001572 LBFGSLineSearch: 10 16:52:42 -65.577689 0.000523 LBFGSLineSearch: 11 16:52:42 -65.577689 0.000309 LBFGSLineSearch: 12 16:52:43 -65.577689 0.000346 LBFGSLineSearch: 13 16:52:43 -65.577689 0.000122 LBFGSLineSearch: 14 16:52:44 -65.577689 0.000105 LBFGSLineSearch: 15 16:52:44 -65.577689 0.000104 LBFGSLineSearch: 16 16:52:44 -65.577689 0.000065 LBFGSLineSearch: 17 16:52:44 -65.577689 0.000062 LBFGSLineSearch: 18 16:52:44 -65.577689 0.000069 LBFGSLineSearch: 19 16:52:44 -65.577689 0.000056 LBFGSLineSearch: 20 16:52:44 -65.577689 0.000024 LBFGSLineSearch: 21 16:52:44 -65.577689 0.000018 LBFGSLineSearch: 22 16:52:44 -65.577689 0.000016 LBFGSLineSearch: 23 16:52:44 -65.577689 0.000006 Minimization converged after 23 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:50 -64.835796 0.052993 LBFGSLineSearch: 1 16:52:51 -64.837108 0.011165 LBFGSLineSearch: 2 16:52:51 -64.837143 0.009370 LBFGSLineSearch: 3 16:52:51 -64.837187 0.005181 LBFGSLineSearch: 4 16:52:51 -64.837193 0.003385 LBFGSLineSearch: 5 16:52:52 -64.837196 0.002897 LBFGSLineSearch: 6 16:52:52 -64.837198 0.002260 LBFGSLineSearch: 7 16:52:53 -64.837199 0.001985 LBFGSLineSearch: 8 16:52:54 -64.837200 0.002694 LBFGSLineSearch: 9 16:52:55 -64.837203 0.001663 LBFGSLineSearch: 10 16:52:57 -64.837203 0.000579 LBFGSLineSearch: 11 16:52:57 -64.837204 0.000264 LBFGSLineSearch: 12 16:52:58 -64.837204 0.000274 LBFGSLineSearch: 13 16:52:58 -64.837204 0.000134 LBFGSLineSearch: 14 16:52:59 -64.837204 0.000120 LBFGSLineSearch: 15 16:52:59 -64.837204 0.000104 LBFGSLineSearch: 16 16:52:59 -64.837204 0.000096 LBFGSLineSearch: 17 16:52:59 -64.837204 0.000126 LBFGSLineSearch: 18 16:52:59 -64.837204 0.000072 LBFGSLineSearch: 19 16:53:00 -64.837204 0.000049 LBFGSLineSearch: 20 16:53:00 -64.837204 0.000021 LBFGSLineSearch: 21 16:53:00 -64.837204 0.000020 LBFGSLineSearch: 22 16:53:00 -64.837204 0.000011 LBFGSLineSearch: 23 16:53:00 -64.837204 0.000007 Minimization converged after 23 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:10 -64.007605 0.059257 LBFGSLineSearch: 1 16:53:10 -64.009221 0.012656 LBFGSLineSearch: 2 16:53:11 -64.009279 0.008846 LBFGSLineSearch: 3 16:53:11 -64.009308 0.005378 LBFGSLineSearch: 4 16:53:12 -64.009317 0.004579 LBFGSLineSearch: 5 16:53:12 -64.009321 0.004954 LBFGSLineSearch: 6 16:53:14 -64.009324 0.002896 LBFGSLineSearch: 7 16:53:14 -64.009326 0.002800 LBFGSLineSearch: 8 16:53:16 -64.009328 0.002197 LBFGSLineSearch: 9 16:53:17 -64.009329 0.002152 LBFGSLineSearch: 10 16:53:18 -64.009331 0.003036 LBFGSLineSearch: 11 16:53:20 -64.009333 0.000990 LBFGSLineSearch: 12 16:53:20 -64.009333 0.000406 LBFGSLineSearch: 13 16:53:21 -64.009333 0.000261 LBFGSLineSearch: 14 16:53:21 -64.009333 0.000188 LBFGSLineSearch: 15 16:53:21 -64.009333 0.000137 LBFGSLineSearch: 16 16:53:21 -64.009333 0.000120 LBFGSLineSearch: 17 16:53:21 -64.009333 0.000088 LBFGSLineSearch: 18 16:53:21 -64.009333 0.000099 LBFGSLineSearch: 19 16:53:21 -64.009333 0.000107 LBFGSLineSearch: 20 16:53:22 -64.009333 0.000096 LBFGSLineSearch: 21 16:53:23 -64.009333 0.000070 LBFGSLineSearch: 22 16:53:23 -64.009333 0.000051 LBFGSLineSearch: 23 16:53:23 -64.009333 0.000019 LBFGSLineSearch: 24 16:53:24 -64.009333 0.000022 LBFGSLineSearch: 25 16:53:25 -64.009333 0.000009 Minimization converged after 25 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:34 -63.082003 0.066241 LBFGSLineSearch: 1 16:53:35 -63.083987 0.014407 LBFGSLineSearch: 2 16:53:35 -63.084071 0.008645 LBFGSLineSearch: 3 16:53:36 -63.084098 0.005832 LBFGSLineSearch: 4 16:53:37 -63.084104 0.004467 LBFGSLineSearch: 5 16:53:38 -63.084108 0.003619 LBFGSLineSearch: 6 16:53:39 -63.084110 0.003153 LBFGSLineSearch: 7 16:53:41 -63.084113 0.002644 LBFGSLineSearch: 8 16:53:42 -63.084114 0.002293 LBFGSLineSearch: 9 16:53:42 -63.084116 0.003240 LBFGSLineSearch: 10 16:53:42 -63.084119 0.001233 LBFGSLineSearch: 11 16:53:42 -63.084120 0.000471 LBFGSLineSearch: 12 16:53:42 -63.084120 0.000238 LBFGSLineSearch: 13 16:53:42 -63.084120 0.000220 LBFGSLineSearch: 14 16:53:42 -63.084120 0.000143 LBFGSLineSearch: 15 16:53:42 -63.084120 0.000104 LBFGSLineSearch: 16 16:53:43 -63.084120 0.000103 LBFGSLineSearch: 17 16:53:44 -63.084120 0.000087 LBFGSLineSearch: 18 16:53:45 -63.084120 0.000040 LBFGSLineSearch: 19 16:53:46 -63.084120 0.000025 LBFGSLineSearch: 20 16:53:46 -63.084120 0.000025 LBFGSLineSearch: 21 16:53:46 -63.084120 0.000010 Minimization converged after 21 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:53:53 -62.047955 0.074017 LBFGSLineSearch: 1 16:53:54 -62.050383 0.016239 LBFGSLineSearch: 2 16:53:55 -62.050482 0.008883 LBFGSLineSearch: 3 16:53:56 -62.050514 0.006318 LBFGSLineSearch: 4 16:53:57 -62.050522 0.004613 LBFGSLineSearch: 5 16:53:58 -62.050526 0.004113 LBFGSLineSearch: 6 16:53:59 -62.050529 0.003400 LBFGSLineSearch: 7 16:53:59 -62.050532 0.002667 LBFGSLineSearch: 8 16:54:00 -62.050534 0.002499 LBFGSLineSearch: 9 16:54:00 -62.050536 0.003401 LBFGSLineSearch: 10 16:54:01 -62.050539 0.001385 LBFGSLineSearch: 11 16:54:03 -62.050540 0.000435 LBFGSLineSearch: 12 16:54:03 -62.050540 0.000211 LBFGSLineSearch: 13 16:54:04 -62.050540 0.000171 LBFGSLineSearch: 14 16:54:04 -62.050540 0.000193 LBFGSLineSearch: 15 16:54:04 -62.050540 0.000136 LBFGSLineSearch: 16 16:54:04 -62.050540 0.000161 LBFGSLineSearch: 17 16:54:04 -62.050540 0.000122 LBFGSLineSearch: 18 16:54:05 -62.050540 0.000092 LBFGSLineSearch: 19 16:54:05 -62.050540 0.000101 LBFGSLineSearch: 20 16:54:05 -62.050540 0.000099 LBFGSLineSearch: 21 16:54:05 -62.050540 0.000073 LBFGSLineSearch: 22 16:54:05 -62.050540 0.000066 LBFGSLineSearch: 23 16:54:05 -62.050540 0.000025 LBFGSLineSearch: 24 16:54:06 -62.050540 0.000023 LBFGSLineSearch: 25 16:54:06 -62.050540 0.000011 LBFGSLineSearch: 26 16:54:07 -62.050540 0.000005 Minimization converged after 26 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:15 -60.893255 0.082665 LBFGSLineSearch: 1 16:54:16 -60.896218 0.018166 LBFGSLineSearch: 2 16:54:18 -60.897548 0.201087 LBFGSLineSearch: 3 16:54:20 -60.898598 0.316621 LBFGSLineSearch: 4 16:54:21 -60.917068 0.520960 LBFGSLineSearch: 5 16:54:22 -60.921855 0.654990 LBFGSLineSearch: 6 16:54:22 -60.926107 0.509837 LBFGSLineSearch: 7 16:54:24 -60.948309 0.341662 LBFGSLineSearch: 8 16:54:25 -60.957387 0.156306 LBFGSLineSearch: 9 16:54:25 -60.962241 0.112236 LBFGSLineSearch: 10 16:54:25 -60.963710 0.088930 LBFGSLineSearch: 11 16:54:25 -60.964758 0.074267 LBFGSLineSearch: 12 16:54:26 -60.966064 0.062134 LBFGSLineSearch: 13 16:54:26 -60.967485 0.074295 LBFGSLineSearch: 14 16:54:27 -60.969343 0.044735 LBFGSLineSearch: 15 16:54:27 -60.969775 0.046044 LBFGSLineSearch: 16 16:54:27 -60.970360 0.043837 LBFGSLineSearch: 17 16:54:27 -60.970991 0.030660 LBFGSLineSearch: 18 16:54:27 -60.971243 0.018917 LBFGSLineSearch: 19 16:54:28 -60.971320 0.016755 LBFGSLineSearch: 20 16:54:28 -60.971467 0.014915 LBFGSLineSearch: 21 16:54:28 -60.971485 0.014132 LBFGSLineSearch: 22 16:54:28 -60.971509 0.013930 LBFGSLineSearch: 23 16:54:28 -60.971663 0.007553 LBFGSLineSearch: 24 16:54:28 -60.971696 0.006534 LBFGSLineSearch: 25 16:54:28 -60.971709 0.003124 LBFGSLineSearch: 26 16:54:28 -60.971711 0.002404 LBFGSLineSearch: 27 16:54:29 -60.971712 0.001271 LBFGSLineSearch: 28 16:54:29 -60.971713 0.000754 LBFGSLineSearch: 29 16:54:29 -60.971713 0.000648 LBFGSLineSearch: 30 16:54:29 -60.971713 0.000488 LBFGSLineSearch: 31 16:54:29 -60.971713 0.000474 LBFGSLineSearch: 32 16:54:30 -60.971713 0.000113 LBFGSLineSearch: 33 16:54:30 -60.971713 0.000000 Minimization converged after 33 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:36 -59.676490 0.092516 LBFGSLineSearch: 1 16:54:37 -59.680118 0.027051 LBFGSLineSearch: 2 16:54:37 -59.680216 0.019844 LBFGSLineSearch: 3 16:54:38 -59.680315 0.010768 LBFGSLineSearch: 4 16:54:39 -59.680337 0.007529 LBFGSLineSearch: 5 16:54:41 -59.680352 0.005271 LBFGSLineSearch: 6 16:54:41 -59.680364 0.003553 LBFGSLineSearch: 7 16:54:42 -59.680368 0.003147 LBFGSLineSearch: 8 16:54:43 -59.680371 0.003402 LBFGSLineSearch: 9 16:54:45 -59.680378 0.003042 LBFGSLineSearch: 10 16:54:46 -59.680381 0.002463 LBFGSLineSearch: 11 16:54:46 -59.680383 0.002599 LBFGSLineSearch: 12 16:54:46 -59.680385 0.001783 LBFGSLineSearch: 13 16:54:46 -59.680386 0.000828 LBFGSLineSearch: 14 16:54:47 -59.680387 0.000768 LBFGSLineSearch: 15 16:54:47 -59.680387 0.000671 LBFGSLineSearch: 16 16:54:47 -59.680387 0.000513 LBFGSLineSearch: 17 16:54:47 -59.680387 0.000392 LBFGSLineSearch: 18 16:54:48 -59.680387 0.000341 LBFGSLineSearch: 19 16:54:48 -59.680387 0.000321 LBFGSLineSearch: 20 16:54:49 -59.680387 0.000156 LBFGSLineSearch: 21 16:54:49 -59.680387 0.000124 LBFGSLineSearch: 22 16:54:49 -59.680387 0.000151 LBFGSLineSearch: 23 16:54:50 -59.680387 0.000039 LBFGSLineSearch: 24 16:54:51 -59.680387 0.000017 LBFGSLineSearch: 25 16:54:53 -59.680387 0.000000 Minimization converged after 25 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:00 -58.235237 0.103225 LBFGSLineSearch: 1 16:55:02 -58.239638 0.029463 LBFGSLineSearch: 2 16:55:03 -58.239752 0.021452 LBFGSLineSearch: 3 16:55:03 -58.239864 0.011635 LBFGSLineSearch: 4 16:55:03 -58.239889 0.007402 LBFGSLineSearch: 5 16:55:03 -58.239905 0.005368 LBFGSLineSearch: 6 16:55:03 -58.239917 0.003990 LBFGSLineSearch: 7 16:55:03 -58.239923 0.003453 LBFGSLineSearch: 8 16:55:03 -58.239925 0.003496 LBFGSLineSearch: 9 16:55:04 -58.239934 0.002909 LBFGSLineSearch: 10 16:55:04 -58.239936 0.002600 LBFGSLineSearch: 11 16:55:04 -58.239939 0.002661 LBFGSLineSearch: 12 16:55:04 -58.239941 0.001941 LBFGSLineSearch: 13 16:55:05 -58.239942 0.000919 LBFGSLineSearch: 14 16:55:05 -58.239942 0.000882 LBFGSLineSearch: 15 16:55:06 -58.239943 0.000774 LBFGSLineSearch: 16 16:55:06 -58.239943 0.000603 LBFGSLineSearch: 17 16:55:06 -58.239943 0.000381 LBFGSLineSearch: 18 16:55:07 -58.239943 0.000255 LBFGSLineSearch: 19 16:55:07 -58.239943 0.000171 LBFGSLineSearch: 20 16:55:07 -58.239943 0.000163 LBFGSLineSearch: 21 16:55:07 -58.239943 0.000127 LBFGSLineSearch: 22 16:55:07 -58.239943 0.000149 LBFGSLineSearch: 23 16:55:07 -58.239943 0.000125 LBFGSLineSearch: 24 16:55:07 -58.239943 0.000054 LBFGSLineSearch: 25 16:55:08 -58.239943 0.000014 LBFGSLineSearch: 26 16:55:08 -58.239943 0.000000 Minimization converged after 26 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:15 -56.628305 0.115117 LBFGSLineSearch: 1 16:55:16 -56.633629 0.031975 LBFGSLineSearch: 2 16:55:17 -56.633760 0.023175 LBFGSLineSearch: 3 16:55:17 -56.633887 0.012580 LBFGSLineSearch: 4 16:55:18 -56.633915 0.007364 LBFGSLineSearch: 5 16:55:18 -56.633931 0.005437 LBFGSLineSearch: 6 16:55:18 -56.633944 0.004511 LBFGSLineSearch: 7 16:55:19 -56.633950 0.003826 LBFGSLineSearch: 8 16:55:20 -56.633953 0.004149 LBFGSLineSearch: 9 16:55:20 -56.633964 0.003016 LBFGSLineSearch: 10 16:55:21 -56.633966 0.002782 LBFGSLineSearch: 11 16:55:21 -56.633969 0.002849 LBFGSLineSearch: 12 16:55:21 -56.633971 0.002053 LBFGSLineSearch: 13 16:55:21 -56.633972 0.001041 LBFGSLineSearch: 14 16:55:21 -56.633973 0.000995 LBFGSLineSearch: 15 16:55:21 -56.633973 0.000869 LBFGSLineSearch: 16 16:55:21 -56.633973 0.000677 LBFGSLineSearch: 17 16:55:21 -56.633974 0.000433 LBFGSLineSearch: 18 16:55:22 -56.633974 0.000265 LBFGSLineSearch: 19 16:55:22 -56.633974 0.000175 LBFGSLineSearch: 20 16:55:22 -56.633974 0.000167 LBFGSLineSearch: 21 16:55:23 -56.633974 0.000175 LBFGSLineSearch: 22 16:55:24 -56.633974 0.000151 LBFGSLineSearch: 23 16:55:24 -56.633974 0.000100 LBFGSLineSearch: 24 16:55:24 -56.633974 0.000062 LBFGSLineSearch: 25 16:55:24 -56.633974 0.000005 Minimization converged after 25 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:31 -54.837599 0.128315 LBFGSLineSearch: 1 16:55:32 -54.844021 0.034545 LBFGSLineSearch: 2 16:55:32 -54.844170 0.025032 LBFGSLineSearch: 3 16:55:34 -54.844314 0.013512 LBFGSLineSearch: 4 16:55:34 -54.844345 0.008311 LBFGSLineSearch: 5 16:55:34 -54.844362 0.005533 LBFGSLineSearch: 6 16:55:34 -54.844377 0.005106 LBFGSLineSearch: 7 16:55:34 -54.844383 0.004365 LBFGSLineSearch: 8 16:55:35 -54.844387 0.004679 LBFGSLineSearch: 9 16:55:35 -54.844399 0.003246 LBFGSLineSearch: 10 16:55:35 -54.844403 0.002975 LBFGSLineSearch: 11 16:55:35 -54.844406 0.002871 LBFGSLineSearch: 12 16:55:35 -54.844408 0.002179 LBFGSLineSearch: 13 16:55:36 -54.844409 0.001153 LBFGSLineSearch: 14 16:55:36 -54.844410 0.001101 LBFGSLineSearch: 15 16:55:36 -54.844410 0.000974 LBFGSLineSearch: 16 16:55:36 -54.844410 0.000732 LBFGSLineSearch: 17 16:55:37 -54.844411 0.000511 LBFGSLineSearch: 18 16:55:37 -54.844411 0.000266 LBFGSLineSearch: 19 16:55:37 -54.844411 0.000168 LBFGSLineSearch: 20 16:55:37 -54.844411 0.000159 LBFGSLineSearch: 21 16:55:38 -54.844411 0.000171 LBFGSLineSearch: 22 16:55:38 -54.844411 0.000058 LBFGSLineSearch: 23 16:55:39 -54.844411 0.000056 LBFGSLineSearch: 24 16:55:39 -54.844411 0.000000 Minimization converged after 24 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:45 -52.843216 0.142942 LBFGSLineSearch: 1 16:55:46 -52.850936 0.037202 LBFGSLineSearch: 2 16:55:47 -52.851108 0.027015 LBFGSLineSearch: 3 16:55:49 -52.851270 0.014479 LBFGSLineSearch: 4 16:55:50 -52.851304 0.009395 LBFGSLineSearch: 5 16:55:50 -52.851323 0.005838 LBFGSLineSearch: 6 16:55:50 -52.851338 0.005821 LBFGSLineSearch: 7 16:55:50 -52.851346 0.005001 LBFGSLineSearch: 8 16:55:50 -52.851351 0.005351 LBFGSLineSearch: 9 16:55:50 -52.851366 0.003524 LBFGSLineSearch: 10 16:55:50 -52.851370 0.003173 LBFGSLineSearch: 11 16:55:50 -52.851373 0.002800 LBFGSLineSearch: 12 16:55:50 -52.851375 0.002298 LBFGSLineSearch: 13 16:55:50 -52.851377 0.001250 LBFGSLineSearch: 14 16:55:51 -52.851377 0.001188 LBFGSLineSearch: 15 16:55:51 -52.851378 0.001161 LBFGSLineSearch: 16 16:55:51 -52.851378 0.000839 LBFGSLineSearch: 17 16:55:51 -52.851379 0.000593 LBFGSLineSearch: 18 16:55:51 -52.851379 0.000249 LBFGSLineSearch: 19 16:55:51 -52.851379 0.000147 LBFGSLineSearch: 20 16:55:51 -52.851379 0.000142 LBFGSLineSearch: 21 16:55:51 -52.851379 0.000120 LBFGSLineSearch: 22 16:55:51 -52.851379 0.000143 LBFGSLineSearch: 23 16:55:51 -52.851379 0.000084 LBFGSLineSearch: 24 16:55:51 -52.851379 0.000028 LBFGSLineSearch: 25 16:55:51 -52.851379 0.000000 Minimization converged after 25 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:58 -50.623283 0.159150 LBFGSLineSearch: 1 16:55:59 -50.632534 0.039841 LBFGSLineSearch: 2 16:55:59 -50.632730 0.029058 LBFGSLineSearch: 3 16:56:01 -50.632911 0.015539 LBFGSLineSearch: 4 16:56:02 -50.632950 0.010682 LBFGSLineSearch: 5 16:56:03 -50.632970 0.006623 LBFGSLineSearch: 6 16:56:03 -50.632987 0.006697 LBFGSLineSearch: 7 16:56:04 -50.632997 0.005758 LBFGSLineSearch: 8 16:56:04 -50.633002 0.005048 LBFGSLineSearch: 9 16:56:05 -50.633012 0.007183 LBFGSLineSearch: 10 16:56:05 -50.633028 0.003715 LBFGSLineSearch: 11 16:56:05 -50.633032 0.002481 LBFGSLineSearch: 12 16:56:05 -50.633035 0.001441 LBFGSLineSearch: 13 16:56:06 -50.633035 0.001330 LBFGSLineSearch: 14 16:56:07 -50.633036 0.001337 LBFGSLineSearch: 15 16:56:07 -50.633036 0.000986 LBFGSLineSearch: 16 16:56:08 -50.633037 0.000683 LBFGSLineSearch: 17 16:56:08 -50.633038 0.000324 LBFGSLineSearch: 18 16:56:09 -50.633038 0.000118 LBFGSLineSearch: 19 16:56:09 -50.633038 0.000118 LBFGSLineSearch: 20 16:56:09 -50.633038 0.000101 LBFGSLineSearch: 21 16:56:10 -50.633038 0.000079 LBFGSLineSearch: 22 16:56:10 -50.633038 0.000000 Minimization converged after 22 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:17 -48.153783 0.177090 LBFGSLineSearch: 1 16:56:18 -48.164824 0.042390 LBFGSLineSearch: 2 16:56:18 -48.165046 0.031041 LBFGSLineSearch: 3 16:56:18 -48.165246 0.016848 LBFGSLineSearch: 4 16:56:18 -48.165291 0.012285 LBFGSLineSearch: 5 16:56:19 -48.165312 0.007594 LBFGSLineSearch: 6 16:56:19 -48.165332 0.007817 LBFGSLineSearch: 7 16:56:19 -48.165345 0.006699 LBFGSLineSearch: 8 16:56:20 -48.165354 0.005817 LBFGSLineSearch: 9 16:56:21 -48.165368 0.008206 LBFGSLineSearch: 10 16:56:22 -48.165386 0.003827 LBFGSLineSearch: 11 16:56:23 -48.165391 0.002717 LBFGSLineSearch: 12 16:56:24 -48.165393 0.001780 LBFGSLineSearch: 13 16:56:24 -48.165394 0.001577 LBFGSLineSearch: 14 16:56:24 -48.165395 0.001674 LBFGSLineSearch: 15 16:56:25 -48.165396 0.001147 LBFGSLineSearch: 16 16:56:25 -48.165397 0.000768 LBFGSLineSearch: 17 16:56:26 -48.165397 0.000623 LBFGSLineSearch: 18 16:56:26 -48.165397 0.000103 LBFGSLineSearch: 19 16:56:26 -48.165397 0.000070 LBFGSLineSearch: 20 16:56:27 -48.165397 0.000074 LBFGSLineSearch: 21 16:56:27 -48.165397 0.000039 LBFGSLineSearch: 22 16:56:28 -48.165397 0.000046 LBFGSLineSearch: 23 16:56:28 -48.165397 0.000021 LBFGSLineSearch: 24 16:56:28 -48.165397 0.000000 Minimization converged after 24 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:36 -45.408350 0.196932 LBFGSLineSearch: 1 16:56:36 -45.421479 0.044796 LBFGSLineSearch: 2 16:56:37 -45.421729 0.032661 LBFGSLineSearch: 3 16:56:38 -45.421946 0.018140 LBFGSLineSearch: 4 16:56:38 -45.421996 0.014017 LBFGSLineSearch: 5 16:56:38 -45.422019 0.008739 LBFGSLineSearch: 6 16:56:39 -45.422041 0.009049 LBFGSLineSearch: 7 16:56:39 -45.422064 0.007464 LBFGSLineSearch: 8 16:56:39 -45.422091 0.007948 LBFGSLineSearch: 9 16:56:40 -45.422107 0.005276 LBFGSLineSearch: 10 16:56:40 -45.422113 0.003994 LBFGSLineSearch: 11 16:56:40 -45.422115 0.002859 LBFGSLineSearch: 12 16:56:41 -45.422118 0.001888 LBFGSLineSearch: 13 16:56:42 -45.422120 0.001781 LBFGSLineSearch: 14 16:56:42 -45.422120 0.001422 LBFGSLineSearch: 15 16:56:43 -45.422121 0.001879 LBFGSLineSearch: 16 16:56:43 -45.422122 0.000848 LBFGSLineSearch: 17 16:56:43 -45.422122 0.000107 LBFGSLineSearch: 18 16:56:43 -45.422122 0.000019 LBFGSLineSearch: 19 16:56:43 -45.422122 0.000018 LBFGSLineSearch: 20 16:56:43 -45.422122 0.000019 LBFGSLineSearch: 21 16:56:44 -45.422122 0.000002 Minimization converged after 21 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:56:51 -42.358017 0.218865 LBFGSLineSearch: 1 16:56:53 -42.373543 0.046900 LBFGSLineSearch: 2 16:56:54 -42.373811 0.032781 LBFGSLineSearch: 3 16:56:55 -42.374028 0.019007 LBFGSLineSearch: 4 16:56:55 -42.374082 0.015048 LBFGSLineSearch: 5 16:56:55 -42.374104 0.009464 LBFGSLineSearch: 6 16:56:56 -42.374125 0.009793 LBFGSLineSearch: 7 16:56:57 -42.374147 0.007831 LBFGSLineSearch: 8 16:56:58 -42.374162 0.008132 LBFGSLineSearch: 9 16:56:58 -42.374182 0.009445 LBFGSLineSearch: 10 16:56:59 -42.374201 0.003922 LBFGSLineSearch: 11 16:57:00 -42.374205 0.002854 LBFGSLineSearch: 12 16:57:01 -42.374207 0.002440 LBFGSLineSearch: 13 16:57:02 -42.374208 0.002048 LBFGSLineSearch: 14 16:57:05 -42.374210 0.001614 LBFGSLineSearch: 15 16:57:07 -42.374211 0.001051 LBFGSLineSearch: 16 16:57:08 -42.374212 0.000727 LBFGSLineSearch: 17 16:57:08 -42.374212 0.000718 LBFGSLineSearch: 18 16:57:09 -42.374212 0.000070 LBFGSLineSearch: 19 16:57:12 -42.374212 0.000064 LBFGSLineSearch: 20 16:57:13 -42.374212 0.000068 LBFGSLineSearch: 21 16:57:14 -42.374212 0.000047 LBFGSLineSearch: 22 16:57:15 -42.374212 0.000000 Minimization converged after 22 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:20 -38.970797 0.243101 LBFGSLineSearch: 1 16:57:21 -38.989072 0.048658 LBFGSLineSearch: 2 16:57:22 -38.989353 0.031776 LBFGSLineSearch: 3 16:57:22 -38.989559 0.019317 LBFGSLineSearch: 4 16:57:22 -38.989613 0.015773 LBFGSLineSearch: 5 16:57:22 -38.989634 0.010021 LBFGSLineSearch: 6 16:57:23 -38.989656 0.010406 LBFGSLineSearch: 7 16:57:24 -38.989683 0.007671 LBFGSLineSearch: 8 16:57:24 -38.989699 0.009046 LBFGSLineSearch: 9 16:57:25 -38.989720 0.009008 LBFGSLineSearch: 10 16:57:26 -38.989735 0.004087 LBFGSLineSearch: 11 16:57:26 -38.989738 0.003075 LBFGSLineSearch: 12 16:57:26 -38.989741 0.002535 LBFGSLineSearch: 13 16:57:26 -38.989742 0.002349 LBFGSLineSearch: 14 16:57:27 -38.989744 0.001753 LBFGSLineSearch: 15 16:57:27 -38.989746 0.000861 LBFGSLineSearch: 16 16:57:27 -38.989746 0.000604 LBFGSLineSearch: 17 16:57:27 -38.989746 0.000469 LBFGSLineSearch: 18 16:57:27 -38.989746 0.000171 LBFGSLineSearch: 19 16:57:27 -38.989746 0.000135 LBFGSLineSearch: 20 16:57:27 -38.989746 0.000135 LBFGSLineSearch: 21 16:57:28 -38.989746 0.000112 LBFGSLineSearch: 22 16:57:28 -38.989746 0.000100 LBFGSLineSearch: 23 16:57:28 -38.989746 0.000132 LBFGSLineSearch: 24 16:57:28 -38.989746 0.000083 LBFGSLineSearch: 25 16:57:28 -38.989746 0.000005 Minimization converged after 25 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:35 -35.211539 0.269874 LBFGSLineSearch: 1 16:57:36 -35.232955 0.050004 LBFGSLineSearch: 2 16:57:38 -35.233239 0.029622 LBFGSLineSearch: 3 16:57:39 -35.233425 0.019160 LBFGSLineSearch: 4 16:57:39 -35.233478 0.016449 LBFGSLineSearch: 5 16:57:39 -35.233499 0.010436 LBFGSLineSearch: 6 16:57:41 -35.233523 0.011065 LBFGSLineSearch: 7 16:57:42 -35.233558 0.008777 LBFGSLineSearch: 8 16:57:42 -35.233580 0.011473 LBFGSLineSearch: 9 16:57:42 -35.233603 0.004791 LBFGSLineSearch: 10 16:57:42 -35.233607 0.003645 LBFGSLineSearch: 11 16:57:42 -35.233610 0.003142 LBFGSLineSearch: 12 16:57:42 -35.233611 0.003273 LBFGSLineSearch: 13 16:57:43 -35.233615 0.002404 LBFGSLineSearch: 14 16:57:44 -35.233616 0.001996 LBFGSLineSearch: 15 16:57:45 -35.233617 0.000638 LBFGSLineSearch: 16 16:57:46 -35.233617 0.000260 LBFGSLineSearch: 17 16:57:46 -35.233617 0.000207 LBFGSLineSearch: 18 16:57:46 -35.233617 0.000177 LBFGSLineSearch: 19 16:57:46 -35.233617 0.000172 LBFGSLineSearch: 20 16:57:47 -35.233617 0.000229 LBFGSLineSearch: 21 16:57:47 -35.233617 0.000155 LBFGSLineSearch: 22 16:57:47 -35.233617 0.000052 LBFGSLineSearch: 23 16:57:48 -35.233617 0.000000 Minimization converged after 23 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:54 -31.041638 0.299427 LBFGSLineSearch: 1 16:57:55 -31.066661 0.050937 LBFGSLineSearch: 2 16:57:55 -31.066944 0.027154 LBFGSLineSearch: 3 16:57:56 -31.067111 0.018870 LBFGSLineSearch: 4 16:57:56 -31.067163 0.017088 LBFGSLineSearch: 5 16:57:56 -31.067185 0.011879 LBFGSLineSearch: 6 16:57:56 -31.067213 0.011799 LBFGSLineSearch: 7 16:57:56 -31.067256 0.011100 LBFGSLineSearch: 8 16:57:57 -31.067284 0.007529 LBFGSLineSearch: 9 16:57:57 -31.067293 0.005298 LBFGSLineSearch: 10 16:57:57 -31.067296 0.004486 LBFGSLineSearch: 11 16:57:57 -31.067298 0.003423 LBFGSLineSearch: 12 16:57:57 -31.067301 0.003491 LBFGSLineSearch: 13 16:57:58 -31.067304 0.003099 LBFGSLineSearch: 14 16:57:58 -31.067307 0.001637 LBFGSLineSearch: 15 16:57:58 -31.067308 0.000558 LBFGSLineSearch: 16 16:57:58 -31.067308 0.000609 LBFGSLineSearch: 17 16:57:59 -31.067308 0.000476 LBFGSLineSearch: 18 16:57:59 -31.067308 0.000261 LBFGSLineSearch: 19 16:57:59 -31.067308 0.000291 LBFGSLineSearch: 20 16:58:00 -31.067308 0.000185 LBFGSLineSearch: 21 16:58:00 -31.067308 0.000034 LBFGSLineSearch: 22 16:58:00 -31.067308 0.000000 Minimization converged after 22 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:05 -26.418815 0.332035 LBFGSLineSearch: 1 16:58:06 -26.447939 0.051389 LBFGSLineSearch: 2 16:58:07 -26.448216 0.027504 LBFGSLineSearch: 3 16:58:08 -26.448365 0.018493 LBFGSLineSearch: 4 16:58:08 -26.448416 0.017137 LBFGSLineSearch: 5 16:58:08 -26.448438 0.013068 LBFGSLineSearch: 6 16:58:08 -26.448470 0.012311 LBFGSLineSearch: 7 16:58:09 -26.448515 0.011981 LBFGSLineSearch: 8 16:58:11 -26.448541 0.005764 LBFGSLineSearch: 9 16:58:12 -26.448546 0.004614 LBFGSLineSearch: 10 16:58:13 -26.448548 0.003532 LBFGSLineSearch: 11 16:58:14 -26.448551 0.003410 LBFGSLineSearch: 12 16:58:15 -26.448556 0.001855 LBFGSLineSearch: 13 16:58:15 -26.448556 0.002006 LBFGSLineSearch: 14 16:58:15 -26.448558 0.000666 LBFGSLineSearch: 15 16:58:15 -26.448558 0.000422 LBFGSLineSearch: 16 16:58:16 -26.448558 0.000351 LBFGSLineSearch: 17 16:58:16 -26.448558 0.000313 LBFGSLineSearch: 18 16:58:16 -26.448558 0.000272 LBFGSLineSearch: 19 16:58:17 -26.448558 0.000222 LBFGSLineSearch: 20 16:58:17 -26.448558 0.000324 LBFGSLineSearch: 21 16:58:17 -26.448558 0.000002 Minimization converged after 21 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:25 -21.296633 0.367995 LBFGSLineSearch: 1 16:58:26 -21.330427 0.051349 LBFGSLineSearch: 2 16:58:26 -21.330694 0.027746 LBFGSLineSearch: 3 16:58:26 -21.330826 0.018053 LBFGSLineSearch: 4 16:58:27 -21.330875 0.016813 LBFGSLineSearch: 5 16:58:28 -21.330898 0.013759 LBFGSLineSearch: 6 16:58:28 -21.330939 0.012315 LBFGSLineSearch: 7 16:58:28 -21.330977 0.011977 LBFGSLineSearch: 8 16:58:28 -21.330994 0.006743 LBFGSLineSearch: 9 16:58:29 -21.331000 0.004206 LBFGSLineSearch: 10 16:58:30 -21.331002 0.003828 LBFGSLineSearch: 11 16:58:30 -21.331005 0.002606 LBFGSLineSearch: 12 16:58:31 -21.331007 0.002711 LBFGSLineSearch: 13 16:58:32 -21.331010 0.002669 LBFGSLineSearch: 14 16:58:32 -21.331011 0.001371 LBFGSLineSearch: 15 16:58:32 -21.331012 0.000551 LBFGSLineSearch: 16 16:58:32 -21.331012 0.000398 LBFGSLineSearch: 17 16:58:33 -21.331012 0.000349 LBFGSLineSearch: 18 16:58:33 -21.331012 0.000261 LBFGSLineSearch: 19 16:58:33 -21.331012 0.000362 LBFGSLineSearch: 20 16:58:34 -21.331012 0.000004 Minimization converged after 20 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:40 -15.624234 0.407628 LBFGSLineSearch: 1 16:58:43 -15.663311 0.050877 LBFGSLineSearch: 2 16:58:44 -15.663517 0.022593 LBFGSLineSearch: 3 16:58:46 -15.663634 0.016573 LBFGSLineSearch: 4 16:58:47 -15.663686 0.016019 LBFGSLineSearch: 5 16:58:48 -15.663722 0.014026 LBFGSLineSearch: 6 16:58:49 -15.663739 0.013314 LBFGSLineSearch: 7 16:58:50 -15.663760 0.014724 LBFGSLineSearch: 8 16:58:51 -15.663810 0.009922 LBFGSLineSearch: 9 16:58:52 -15.663827 0.008328 LBFGSLineSearch: 10 16:58:52 -15.663837 0.005097 LBFGSLineSearch: 11 16:58:53 -15.663840 0.004749 LBFGSLineSearch: 12 16:58:53 -15.663842 0.004366 LBFGSLineSearch: 13 16:58:53 -15.663843 0.003768 LBFGSLineSearch: 14 16:58:53 -15.663845 0.003482 LBFGSLineSearch: 15 16:58:53 -15.663848 0.002270 LBFGSLineSearch: 16 16:58:53 -15.663850 0.001727 LBFGSLineSearch: 17 16:58:53 -15.663850 0.001372 LBFGSLineSearch: 18 16:58:53 -15.663851 0.000882 LBFGSLineSearch: 19 16:58:53 -15.663851 0.000939 LBFGSLineSearch: 20 16:58:54 -15.663851 0.000634 LBFGSLineSearch: 21 16:58:54 -15.663851 0.000464 LBFGSLineSearch: 22 16:58:54 -15.663851 0.000417 LBFGSLineSearch: 23 16:58:54 -15.663851 0.000390 LBFGSLineSearch: 24 16:58:54 -15.663851 0.000332 LBFGSLineSearch: 25 16:58:54 -15.663851 0.000305 LBFGSLineSearch: 26 16:58:54 -15.663851 0.000278 LBFGSLineSearch: 27 16:58:54 -15.663851 0.000246 LBFGSLineSearch: 28 16:58:54 -15.663852 0.000342 LBFGSLineSearch: 29 16:58:54 -15.663852 0.000162 LBFGSLineSearch: 30 16:58:54 -15.663852 0.000079 LBFGSLineSearch: 31 16:58:54 -15.663852 0.000031 LBFGSLineSearch: 32 16:58:54 -15.663852 0.000011 LBFGSLineSearch: 33 16:58:54 -15.663852 0.000001 Minimization converged after 33 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:00 -9.345820 0.451288 LBFGSLineSearch: 1 16:59:01 -9.390872 0.050005 LBFGSLineSearch: 2 16:59:01 -9.391073 0.020454 LBFGSLineSearch: 3 16:59:01 -9.391172 0.015877 LBFGSLineSearch: 4 16:59:01 -9.391219 0.014494 LBFGSLineSearch: 5 16:59:01 -9.391249 0.013348 LBFGSLineSearch: 6 16:59:02 -9.391265 0.012725 LBFGSLineSearch: 7 16:59:03 -9.391287 0.015401 LBFGSLineSearch: 8 16:59:03 -9.391336 0.008991 LBFGSLineSearch: 9 16:59:04 -9.391347 0.006002 LBFGSLineSearch: 10 16:59:04 -9.391353 0.004276 LBFGSLineSearch: 11 16:59:05 -9.391355 0.004134 LBFGSLineSearch: 12 16:59:06 -9.391357 0.002777 LBFGSLineSearch: 13 16:59:07 -9.391360 0.002751 LBFGSLineSearch: 14 16:59:07 -9.391362 0.001779 LBFGSLineSearch: 15 16:59:07 -9.391362 0.001619 LBFGSLineSearch: 16 16:59:07 -9.391363 0.001050 LBFGSLineSearch: 17 16:59:07 -9.391363 0.000662 LBFGSLineSearch: 18 16:59:08 -9.391363 0.000423 LBFGSLineSearch: 19 16:59:09 -9.391363 0.000383 LBFGSLineSearch: 20 16:59:09 -9.391363 0.000353 LBFGSLineSearch: 21 16:59:09 -9.391363 0.000340 LBFGSLineSearch: 22 16:59:09 -9.391363 0.000282 LBFGSLineSearch: 23 16:59:10 -9.391363 0.000046 LBFGSLineSearch: 24 16:59:10 -9.391363 0.000000 Minimization converged after 24 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:16 -2.400288 0.499362 LBFGSLineSearch: 1 16:59:18 -2.452067 0.048869 LBFGSLineSearch: 2 16:59:18 -2.452254 0.020381 LBFGSLineSearch: 3 16:59:19 -2.452336 0.016380 LBFGSLineSearch: 4 16:59:19 -2.452379 0.014665 LBFGSLineSearch: 5 16:59:20 -2.452403 0.013807 LBFGSLineSearch: 6 16:59:21 -2.452419 0.012931 LBFGSLineSearch: 7 16:59:22 -2.452442 0.016060 LBFGSLineSearch: 8 16:59:22 -2.452488 0.007771 LBFGSLineSearch: 9 16:59:22 -2.452496 0.004117 LBFGSLineSearch: 10 16:59:23 -2.452498 0.003145 LBFGSLineSearch: 11 16:59:24 -2.452499 0.002516 LBFGSLineSearch: 12 16:59:25 -2.452501 0.001618 LBFGSLineSearch: 13 16:59:25 -2.452503 0.001363 LBFGSLineSearch: 14 16:59:26 -2.452503 0.001389 LBFGSLineSearch: 15 16:59:26 -2.452504 0.001110 LBFGSLineSearch: 16 16:59:27 -2.452504 0.000757 LBFGSLineSearch: 17 16:59:28 -2.452504 0.000420 LBFGSLineSearch: 18 16:59:28 -2.452504 0.000401 LBFGSLineSearch: 19 16:59:28 -2.452504 0.000351 LBFGSLineSearch: 20 16:59:28 -2.452504 0.000429 LBFGSLineSearch: 21 16:59:29 -2.452504 0.000220 LBFGSLineSearch: 22 16:59:30 -2.452504 0.000047 LBFGSLineSearch: 23 16:59:30 -2.452504 0.000001 Minimization converged after 23 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:37 5.279333 0.552274 LBFGSLineSearch: 1 16:59:37 5.231832 0.258324 LBFGSLineSearch: 2 16:59:38 5.219813 0.027096 LBFGSLineSearch: 3 16:59:38 5.219735 0.020506 LBFGSLineSearch: 4 16:59:38 5.219689 0.016133 LBFGSLineSearch: 5 16:59:39 5.219665 0.013518 LBFGSLineSearch: 6 16:59:40 5.219633 0.013752 LBFGSLineSearch: 7 16:59:40 5.219604 0.005004 LBFGSLineSearch: 8 16:59:41 5.219599 0.002692 LBFGSLineSearch: 9 16:59:41 5.219598 0.002307 LBFGSLineSearch: 10 16:59:41 5.219596 0.001896 LBFGSLineSearch: 11 16:59:41 5.219595 0.001373 LBFGSLineSearch: 12 16:59:42 5.219595 0.001566 LBFGSLineSearch: 13 16:59:42 5.219594 0.000933 LBFGSLineSearch: 14 16:59:42 5.219594 0.000624 LBFGSLineSearch: 15 16:59:43 5.219594 0.000388 LBFGSLineSearch: 16 16:59:44 5.219594 0.000403 LBFGSLineSearch: 17 16:59:44 5.219594 0.000392 LBFGSLineSearch: 18 16:59:45 5.219594 0.000466 LBFGSLineSearch: 19 16:59:45 5.219594 0.000247 LBFGSLineSearch: 20 16:59:46 5.219594 0.000064 LBFGSLineSearch: 21 16:59:46 5.219594 0.000000 Minimization converged after 21 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:59:55 13.766325 0.610481 LBFGSLineSearch: 1 16:59:55 13.709785 0.261392 LBFGSLineSearch: 2 16:59:56 13.698287 0.027250 LBFGSLineSearch: 3 16:59:56 13.698225 0.018424 LBFGSLineSearch: 4 16:59:57 13.698184 0.014655 LBFGSLineSearch: 5 16:59:58 13.698165 0.016026 LBFGSLineSearch: 6 16:59:58 13.698132 0.013412 LBFGSLineSearch: 7 16:59:59 13.698107 0.003655 LBFGSLineSearch: 8 16:59:59 13.698103 0.001992 LBFGSLineSearch: 9 16:59:59 13.698103 0.001784 LBFGSLineSearch: 10 16:59:59 13.698101 0.001493 LBFGSLineSearch: 11 16:59:59 13.698101 0.001298 LBFGSLineSearch: 12 16:59:59 13.698100 0.001104 LBFGSLineSearch: 13 16:59:59 13.698100 0.000581 LBFGSLineSearch: 14 16:59:59 13.698100 0.000405 LBFGSLineSearch: 15 16:59:59 13.698100 0.000372 LBFGSLineSearch: 16 16:59:59 13.698100 0.000359 LBFGSLineSearch: 17 17:00:00 13.698100 0.000350 LBFGSLineSearch: 18 17:00:00 13.698100 0.000033 LBFGSLineSearch: 19 17:00:00 13.698100 0.000003 Minimization converged after 19 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:07 23.140817 0.674481 LBFGSLineSearch: 1 17:00:08 23.073798 0.259821 LBFGSLineSearch: 2 17:00:08 23.063198 0.027280 LBFGSLineSearch: 3 17:00:08 23.063159 0.019805 LBFGSLineSearch: 4 17:00:08 23.063126 0.014090 LBFGSLineSearch: 5 17:00:08 23.063106 0.012432 LBFGSLineSearch: 6 17:00:08 23.063086 0.011289 LBFGSLineSearch: 7 17:00:08 23.063048 0.006133 LBFGSLineSearch: 8 17:00:08 23.063042 0.004369 LBFGSLineSearch: 9 17:00:08 23.063039 0.002378 LBFGSLineSearch: 10 17:00:09 23.063039 0.001909 LBFGSLineSearch: 11 17:00:10 23.063038 0.001309 LBFGSLineSearch: 12 17:00:12 23.063037 0.001171 LBFGSLineSearch: 13 17:00:12 23.063037 0.001012 LBFGSLineSearch: 14 17:00:13 23.063037 0.000800 LBFGSLineSearch: 15 17:00:13 23.063037 0.000330 LBFGSLineSearch: 16 17:00:13 23.063037 0.000295 LBFGSLineSearch: 17 17:00:13 23.063037 0.000260 LBFGSLineSearch: 18 17:00:13 23.063037 0.000216 LBFGSLineSearch: 19 17:00:13 23.063037 0.000282 LBFGSLineSearch: 20 17:00:13 23.063037 0.000124 LBFGSLineSearch: 21 17:00:13 23.063037 0.000079 LBFGSLineSearch: 22 17:00:13 23.063037 0.000018 LBFGSLineSearch: 23 17:00:14 23.063037 0.000001 Minimization converged after 23 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:20 33.490411 0.744813 LBFGSLineSearch: 1 17:00:20 33.411334 0.252186 LBFGSLineSearch: 2 17:00:21 33.402031 0.027176 LBFGSLineSearch: 3 17:00:21 33.401996 0.019984 LBFGSLineSearch: 4 17:00:21 33.401964 0.014703 LBFGSLineSearch: 5 17:00:21 33.401940 0.015655 LBFGSLineSearch: 6 17:00:22 33.401911 0.014643 LBFGSLineSearch: 7 17:00:22 33.401895 0.006325 LBFGSLineSearch: 8 17:00:22 33.401890 0.002507 LBFGSLineSearch: 9 17:00:22 33.401889 0.002218 LBFGSLineSearch: 10 17:00:22 33.401888 0.001409 LBFGSLineSearch: 11 17:00:22 33.401888 0.001040 LBFGSLineSearch: 12 17:00:22 33.401888 0.000749 LBFGSLineSearch: 13 17:00:22 33.401888 0.000952 LBFGSLineSearch: 14 17:00:23 33.401887 0.000335 LBFGSLineSearch: 15 17:00:23 33.401887 0.000156 LBFGSLineSearch: 16 17:00:24 33.401887 0.000102 LBFGSLineSearch: 17 17:00:24 33.401887 0.000082 LBFGSLineSearch: 18 17:00:24 33.401887 0.000069 LBFGSLineSearch: 19 17:00:26 33.401887 0.000016 LBFGSLineSearch: 20 17:00:26 33.401887 0.000000 Minimization converged after 20 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:33 44.910837 0.822068 LBFGSLineSearch: 1 17:00:34 44.818013 0.236752 LBFGSLineSearch: 2 17:00:34 44.810387 0.026928 LBFGSLineSearch: 3 17:00:34 44.810355 0.020364 LBFGSLineSearch: 4 17:00:35 44.810325 0.015376 LBFGSLineSearch: 5 17:00:35 44.810300 0.013746 LBFGSLineSearch: 6 17:00:36 44.810271 0.012104 LBFGSLineSearch: 7 17:00:36 44.810257 0.004488 LBFGSLineSearch: 8 17:00:36 44.810255 0.002418 LBFGSLineSearch: 9 17:00:37 44.810254 0.002180 LBFGSLineSearch: 10 17:00:37 44.810254 0.001768 LBFGSLineSearch: 11 17:00:38 44.810253 0.001519 LBFGSLineSearch: 12 17:00:38 44.810253 0.000853 LBFGSLineSearch: 13 17:00:39 44.810253 0.000776 LBFGSLineSearch: 14 17:00:39 44.810252 0.000395 LBFGSLineSearch: 15 17:00:40 44.810252 0.000151 LBFGSLineSearch: 16 17:00:40 44.810252 0.000124 LBFGSLineSearch: 17 17:00:40 44.810252 0.000138 LBFGSLineSearch: 18 17:00:40 44.810252 0.000082 LBFGSLineSearch: 19 17:00:40 44.810252 0.000087 LBFGSLineSearch: 20 17:00:41 44.810252 0.000018 LBFGSLineSearch: 21 17:00:42 44.810252 0.000001 Minimization converged after 21 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:49 57.506668 0.906887 LBFGSLineSearch: 1 17:00:50 57.398342 0.212850 LBFGSLineSearch: 2 17:00:51 57.392700 0.027802 LBFGSLineSearch: 3 17:00:51 57.392669 0.021101 LBFGSLineSearch: 4 17:00:51 57.392644 0.015749 LBFGSLineSearch: 5 17:00:51 57.392608 0.015277 LBFGSLineSearch: 6 17:00:51 57.392590 0.009281 LBFGSLineSearch: 7 17:00:51 57.392573 0.007859 LBFGSLineSearch: 8 17:00:51 57.392567 0.003481 LBFGSLineSearch: 9 17:00:51 57.392566 0.002425 LBFGSLineSearch: 10 17:00:51 57.392565 0.002356 LBFGSLineSearch: 11 17:00:52 57.392565 0.002039 LBFGSLineSearch: 12 17:00:53 57.392564 0.001269 LBFGSLineSearch: 13 17:00:54 57.392564 0.000877 LBFGSLineSearch: 14 17:00:55 57.392563 0.000439 LBFGSLineSearch: 15 17:00:55 57.392563 0.000360 LBFGSLineSearch: 16 17:00:57 57.392563 0.000326 LBFGSLineSearch: 17 17:00:57 57.392563 0.000268 LBFGSLineSearch: 18 17:00:57 57.392563 0.000467 LBFGSLineSearch: 19 17:00:57 57.392563 0.000172 LBFGSLineSearch: 20 17:00:58 57.392563 0.000034 LBFGSLineSearch: 21 17:00:58 57.392563 0.000014 LBFGSLineSearch: 22 17:00:58 57.392563 0.000000 Minimization converged after 22 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:05 71.392096 0.999967 LBFGSLineSearch: 1 17:01:05 71.266522 0.177779 LBFGSLineSearch: 2 17:01:05 71.263005 0.033664 LBFGSLineSearch: 3 17:01:05 71.262974 0.022558 LBFGSLineSearch: 4 17:01:05 71.262951 0.018976 LBFGSLineSearch: 5 17:01:05 71.262922 0.018963 LBFGSLineSearch: 6 17:01:05 71.262881 0.017679 LBFGSLineSearch: 7 17:01:05 71.262865 0.006924 LBFGSLineSearch: 8 17:01:05 71.262860 0.003557 LBFGSLineSearch: 9 17:01:05 71.262858 0.002903 LBFGSLineSearch: 10 17:01:05 71.262857 0.002908 LBFGSLineSearch: 11 17:01:05 71.262856 0.001651 LBFGSLineSearch: 12 17:01:05 71.262855 0.001804 LBFGSLineSearch: 13 17:01:05 71.262855 0.000689 LBFGSLineSearch: 14 17:01:05 71.262855 0.000528 LBFGSLineSearch: 15 17:01:06 71.262855 0.000440 LBFGSLineSearch: 16 17:01:06 71.262855 0.000562 LBFGSLineSearch: 17 17:01:06 71.262855 0.000155 LBFGSLineSearch: 18 17:01:06 71.262855 0.000043 LBFGSLineSearch: 19 17:01:06 71.262855 0.000002 Minimization converged after 19 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:13 86.691766 1.102065 LBFGSLineSearch: 1 17:01:13 86.547322 0.127830 LBFGSLineSearch: 2 17:01:14 86.545772 0.041483 LBFGSLineSearch: 3 17:01:15 86.545721 0.025371 LBFGSLineSearch: 4 17:01:16 86.545696 0.023015 LBFGSLineSearch: 5 17:01:17 86.545647 0.020307 LBFGSLineSearch: 6 17:01:17 86.545615 0.012124 LBFGSLineSearch: 7 17:01:17 86.545606 0.005795 LBFGSLineSearch: 8 17:01:18 86.545602 0.005003 LBFGSLineSearch: 9 17:01:18 86.545600 0.003883 LBFGSLineSearch: 10 17:01:18 86.545598 0.003664 LBFGSLineSearch: 11 17:01:18 86.545596 0.002803 LBFGSLineSearch: 12 17:01:18 86.545596 0.002025 LBFGSLineSearch: 13 17:01:18 86.545595 0.001264 LBFGSLineSearch: 14 17:01:18 86.545595 0.001021 LBFGSLineSearch: 15 17:01:19 86.545595 0.000592 LBFGSLineSearch: 16 17:01:19 86.545595 0.000568 LBFGSLineSearch: 17 17:01:19 86.545595 0.000535 LBFGSLineSearch: 18 17:01:19 86.545595 0.000566 LBFGSLineSearch: 19 17:01:19 86.545595 0.000179 LBFGSLineSearch: 20 17:01:19 86.545595 0.000023 LBFGSLineSearch: 21 17:01:19 86.545595 0.000010 Minimization converged after 21 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:25 103.541654 1.214006 LBFGSLineSearch: 1 17:01:26 103.376966 0.059776 LBFGSLineSearch: 2 17:01:26 103.376738 0.054025 LBFGSLineSearch: 3 17:01:26 103.376662 0.028185 LBFGSLineSearch: 4 17:01:26 103.376640 0.020255 LBFGSLineSearch: 5 17:01:26 103.376600 0.026116 LBFGSLineSearch: 6 17:01:26 103.376547 0.023617 LBFGSLineSearch: 7 17:01:26 103.376525 0.006514 LBFGSLineSearch: 8 17:01:27 103.376522 0.006472 LBFGSLineSearch: 9 17:01:27 103.376519 0.005969 LBFGSLineSearch: 10 17:01:27 103.376517 0.004309 LBFGSLineSearch: 11 17:01:27 103.376513 0.003620 LBFGSLineSearch: 12 17:01:27 103.376512 0.001553 LBFGSLineSearch: 13 17:01:28 103.376511 0.001234 LBFGSLineSearch: 14 17:01:29 103.376511 0.001281 LBFGSLineSearch: 15 17:01:29 103.376511 0.000603 LBFGSLineSearch: 16 17:01:30 103.376511 0.000795 LBFGSLineSearch: 17 17:01:30 103.376511 0.000170 LBFGSLineSearch: 18 17:01:31 103.376511 0.000042 LBFGSLineSearch: 19 17:01:31 103.376511 0.000008 Minimization converged after 19 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:37 122.089878 1.336671 LBFGSLineSearch: 1 17:01:38 121.903887 0.067359 LBFGSLineSearch: 2 17:01:39 121.903719 0.035575 LBFGSLineSearch: 3 17:01:39 121.903674 0.028839 LBFGSLineSearch: 4 17:01:40 121.903629 0.028008 LBFGSLineSearch: 5 17:01:40 121.903568 0.016181 LBFGSLineSearch: 6 17:01:41 121.903525 0.010701 LBFGSLineSearch: 7 17:01:41 121.903511 0.009537 LBFGSLineSearch: 8 17:01:41 121.903506 0.007541 LBFGSLineSearch: 9 17:01:41 121.903503 0.005634 LBFGSLineSearch: 10 17:01:41 121.903496 0.004291 LBFGSLineSearch: 11 17:01:41 121.903494 0.002180 LBFGSLineSearch: 12 17:01:41 121.903493 0.001231 LBFGSLineSearch: 13 17:01:41 121.903492 0.001723 LBFGSLineSearch: 14 17:01:41 121.903492 0.000769 LBFGSLineSearch: 15 17:01:41 121.903492 0.000533 LBFGSLineSearch: 16 17:01:41 121.903492 0.000573 LBFGSLineSearch: 17 17:01:41 121.903492 0.000200 LBFGSLineSearch: 18 17:01:41 121.903492 0.000122 LBFGSLineSearch: 19 17:01:42 121.903492 0.000014 LBFGSLineSearch: 20 17:01:42 121.903492 0.000000 Minimization converged after 20 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:01:49 142.497669 1.471013 LBFGSLineSearch: 1 17:01:49 142.287950 0.078044 LBFGSLineSearch: 2 17:01:49 142.287763 0.039803 LBFGSLineSearch: 3 17:01:49 142.287701 0.034121 LBFGSLineSearch: 4 17:01:49 142.287647 0.032076 LBFGSLineSearch: 5 17:01:50 142.287577 0.020400 LBFGSLineSearch: 6 17:01:50 142.287522 0.014060 LBFGSLineSearch: 7 17:01:50 142.287498 0.012889 LBFGSLineSearch: 8 17:01:50 142.287488 0.009406 LBFGSLineSearch: 9 17:01:50 142.287481 0.007483 LBFGSLineSearch: 10 17:01:50 142.287473 0.005043 LBFGSLineSearch: 11 17:01:51 142.287471 0.003758 LBFGSLineSearch: 12 17:01:52 142.287468 0.004202 LBFGSLineSearch: 13 17:01:52 142.287466 0.001108 LBFGSLineSearch: 14 17:01:53 142.287466 0.000807 LBFGSLineSearch: 15 17:01:53 142.287466 0.000773 LBFGSLineSearch: 16 17:01:54 142.287466 0.000623 LBFGSLineSearch: 17 17:01:54 142.287466 0.000252 LBFGSLineSearch: 18 17:01:55 142.287466 0.000033 LBFGSLineSearch: 19 17:01:56 142.287466 0.000005 Minimization converged after 19 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:02 164.940378 1.618066 LBFGSLineSearch: 1 17:02:03 164.704221 0.089178 LBFGSLineSearch: 2 17:02:04 164.704010 0.044398 LBFGSLineSearch: 3 17:02:04 164.703925 0.040320 LBFGSLineSearch: 4 17:02:04 164.703859 0.038559 LBFGSLineSearch: 5 17:02:04 164.703775 0.024919 LBFGSLineSearch: 6 17:02:04 164.703705 0.018132 LBFGSLineSearch: 7 17:02:04 164.703670 0.016842 LBFGSLineSearch: 8 17:02:05 164.703652 0.011257 LBFGSLineSearch: 9 17:02:05 164.703641 0.008721 LBFGSLineSearch: 10 17:02:05 164.703632 0.007991 LBFGSLineSearch: 11 17:02:05 164.703628 0.006216 LBFGSLineSearch: 12 17:02:05 164.703625 0.004235 LBFGSLineSearch: 13 17:02:06 164.703622 0.003756 LBFGSLineSearch: 14 17:02:06 164.703619 0.002991 LBFGSLineSearch: 15 17:02:07 164.703619 0.001231 LBFGSLineSearch: 16 17:02:07 164.703619 0.000759 LBFGSLineSearch: 17 17:02:07 164.703619 0.000643 LBFGSLineSearch: 18 17:02:08 164.703619 0.000746 LBFGSLineSearch: 19 17:02:08 164.703618 0.000243 LBFGSLineSearch: 20 17:02:09 164.703618 0.000063 LBFGSLineSearch: 21 17:02:09 164.703618 0.000004 Minimization converged after 21 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:15 189.608964 1.778955 LBFGSLineSearch: 1 17:02:16 189.343386 0.098678 LBFGSLineSearch: 2 17:02:17 189.343155 0.048745 LBFGSLineSearch: 3 17:02:17 189.343044 0.046014 LBFGSLineSearch: 4 17:02:17 189.342985 0.044378 LBFGSLineSearch: 5 17:02:18 189.342878 0.027416 LBFGSLineSearch: 6 17:02:18 189.342804 0.025516 LBFGSLineSearch: 7 17:02:19 189.342753 0.020060 LBFGSLineSearch: 8 17:02:19 189.342727 0.012884 LBFGSLineSearch: 9 17:02:19 189.342712 0.009798 LBFGSLineSearch: 10 17:02:20 189.342701 0.009067 LBFGSLineSearch: 11 17:02:20 189.342695 0.007291 LBFGSLineSearch: 12 17:02:21 189.342692 0.005021 LBFGSLineSearch: 13 17:02:21 189.342688 0.003998 LBFGSLineSearch: 14 17:02:22 189.342685 0.002712 LBFGSLineSearch: 15 17:02:22 189.342684 0.000880 LBFGSLineSearch: 16 17:02:22 189.342684 0.000684 LBFGSLineSearch: 17 17:02:22 189.342684 0.000558 LBFGSLineSearch: 18 17:02:22 189.342684 0.000562 LBFGSLineSearch: 19 17:02:22 189.342684 0.000100 LBFGSLineSearch: 20 17:02:22 189.342684 0.000027 LBFGSLineSearch: 21 17:02:22 189.342684 0.000001 Minimization converged after 21 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:30 216.711363 1.954906 LBFGSLineSearch: 1 17:02:30 216.412921 0.111436 LBFGSLineSearch: 2 17:02:30 216.412661 0.051609 LBFGSLineSearch: 3 17:02:30 216.412521 0.051064 LBFGSLineSearch: 4 17:02:30 216.412454 0.047972 LBFGSLineSearch: 5 17:02:30 216.412352 0.029152 LBFGSLineSearch: 6 17:02:31 216.412260 0.025827 LBFGSLineSearch: 7 17:02:31 216.412201 0.023187 LBFGSLineSearch: 8 17:02:31 216.412170 0.012686 LBFGSLineSearch: 9 17:02:31 216.412149 0.011729 LBFGSLineSearch: 10 17:02:31 216.412137 0.010097 LBFGSLineSearch: 11 17:02:31 216.412131 0.007987 LBFGSLineSearch: 12 17:02:32 216.412127 0.005853 LBFGSLineSearch: 13 17:02:33 216.412123 0.003818 LBFGSLineSearch: 14 17:02:33 216.412120 0.002354 LBFGSLineSearch: 15 17:02:33 216.412120 0.000675 LBFGSLineSearch: 16 17:02:34 216.412120 0.000531 LBFGSLineSearch: 17 17:02:34 216.412120 0.000433 LBFGSLineSearch: 18 17:02:34 216.412120 0.000397 LBFGSLineSearch: 19 17:02:34 216.412120 0.000063 LBFGSLineSearch: 20 17:02:34 216.412120 0.000007 Minimization converged after 20 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:41 246.473269 2.147223 LBFGSLineSearch: 1 17:02:42 246.138192 0.123957 LBFGSLineSearch: 2 17:02:42 246.137897 0.053373 LBFGSLineSearch: 3 17:02:43 246.137728 0.055925 LBFGSLineSearch: 4 17:02:43 246.137655 0.050640 LBFGSLineSearch: 5 17:02:44 246.137561 0.033606 LBFGSLineSearch: 6 17:02:44 246.137454 0.031391 LBFGSLineSearch: 7 17:02:44 246.137385 0.026659 LBFGSLineSearch: 8 17:02:45 246.137348 0.013493 LBFGSLineSearch: 9 17:02:45 246.137323 0.013607 LBFGSLineSearch: 10 17:02:46 246.137309 0.010272 LBFGSLineSearch: 11 17:02:46 246.137304 0.008395 LBFGSLineSearch: 12 17:02:46 246.137298 0.006814 LBFGSLineSearch: 13 17:02:46 246.137293 0.002252 LBFGSLineSearch: 14 17:02:46 246.137292 0.000474 LBFGSLineSearch: 15 17:02:46 246.137292 0.000411 LBFGSLineSearch: 16 17:02:46 246.137292 0.000289 LBFGSLineSearch: 17 17:02:47 246.137292 0.000124 LBFGSLineSearch: 18 17:02:48 246.137292 0.000009 Minimization converged after 18 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:54 279.139839 2.357329 LBFGSLineSearch: 1 17:02:56 278.763849 0.136261 LBFGSLineSearch: 2 17:02:56 278.763523 0.057475 LBFGSLineSearch: 3 17:02:57 278.763337 0.059949 LBFGSLineSearch: 4 17:02:57 278.763252 0.053016 LBFGSLineSearch: 5 17:02:57 278.763167 0.040371 LBFGSLineSearch: 6 17:02:57 278.763064 0.032662 LBFGSLineSearch: 7 17:02:57 278.762975 0.029419 LBFGSLineSearch: 8 17:02:57 278.762934 0.017221 LBFGSLineSearch: 9 17:02:57 278.762895 0.016851 LBFGSLineSearch: 10 17:02:58 278.762887 0.009271 LBFGSLineSearch: 11 17:02:59 278.762882 0.009442 LBFGSLineSearch: 12 17:02:59 278.762873 0.006781 LBFGSLineSearch: 13 17:03:00 278.762871 0.001854 LBFGSLineSearch: 14 17:03:00 278.762871 0.000264 LBFGSLineSearch: 15 17:03:00 278.762871 0.000202 LBFGSLineSearch: 16 17:03:00 278.762871 0.000135 LBFGSLineSearch: 17 17:03:00 278.762871 0.000009 Minimization converged after 17 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:06 314.976767 2.586708 LBFGSLineSearch: 1 17:03:07 314.554985 0.148503 LBFGSLineSearch: 2 17:03:08 314.554636 0.065138 LBFGSLineSearch: 3 17:03:09 314.554441 0.063492 LBFGSLineSearch: 4 17:03:09 314.554341 0.055461 LBFGSLineSearch: 5 17:03:09 314.554257 0.050173 LBFGSLineSearch: 6 17:03:10 314.554165 0.031060 LBFGSLineSearch: 7 17:03:10 314.554066 0.029331 LBFGSLineSearch: 8 17:03:10 314.554012 0.022409 LBFGSLineSearch: 9 17:03:10 314.553968 0.014036 LBFGSLineSearch: 10 17:03:10 314.553956 0.010395 LBFGSLineSearch: 11 17:03:10 314.553952 0.008586 LBFGSLineSearch: 12 17:03:10 314.553945 0.008143 LBFGSLineSearch: 13 17:03:10 314.553941 0.003888 LBFGSLineSearch: 14 17:03:10 314.553940 0.000174 LBFGSLineSearch: 15 17:03:10 314.553940 0.000028 LBFGSLineSearch: 16 17:03:10 314.553940 0.000024 LBFGSLineSearch: 17 17:03:11 314.553940 0.000002 Minimization converged after 17 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:17 354.271558 2.836972 LBFGSLineSearch: 1 17:03:18 353.798759 0.159352 LBFGSLineSearch: 2 17:03:18 353.798394 0.072849 LBFGSLineSearch: 3 17:03:19 353.798199 0.071543 LBFGSLineSearch: 4 17:03:20 353.798082 0.056499 LBFGSLineSearch: 5 17:03:20 353.798005 0.062777 LBFGSLineSearch: 6 17:03:20 353.797919 0.030618 LBFGSLineSearch: 7 17:03:21 353.797826 0.030660 LBFGSLineSearch: 8 17:03:21 353.797756 0.024943 LBFGSLineSearch: 9 17:03:21 353.797711 0.013280 LBFGSLineSearch: 10 17:03:22 353.797691 0.012881 LBFGSLineSearch: 11 17:03:22 353.797685 0.010108 LBFGSLineSearch: 12 17:03:22 353.797681 0.006717 LBFGSLineSearch: 13 17:03:23 353.797674 0.006882 LBFGSLineSearch: 14 17:03:23 353.797673 0.000751 LBFGSLineSearch: 15 17:03:23 353.797673 0.000292 LBFGSLineSearch: 16 17:03:23 353.797673 0.000212 LBFGSLineSearch: 17 17:03:23 353.797673 0.000038 LBFGSLineSearch: 18 17:03:23 353.797673 0.000002 Minimization converged after 18 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:28 397.335825 3.109869 LBFGSLineSearch: 1 17:03:29 396.806321 0.170490 LBFGSLineSearch: 2 17:03:31 396.805943 0.079626 LBFGSLineSearch: 3 17:03:33 396.805687 0.049179 LBFGSLineSearch: 4 17:03:33 396.805606 0.053802 LBFGSLineSearch: 5 17:03:33 396.805525 0.055201 LBFGSLineSearch: 6 17:03:34 396.805408 0.042620 LBFGSLineSearch: 7 17:03:34 396.805358 0.043332 LBFGSLineSearch: 8 17:03:34 396.805284 0.025908 LBFGSLineSearch: 9 17:03:34 396.805245 0.010755 LBFGSLineSearch: 10 17:03:34 396.805236 0.010248 LBFGSLineSearch: 11 17:03:34 396.805230 0.007094 LBFGSLineSearch: 12 17:03:34 396.805226 0.008019 LBFGSLineSearch: 13 17:03:34 396.805223 0.000664 LBFGSLineSearch: 14 17:03:34 396.805223 0.000547 LBFGSLineSearch: 15 17:03:34 396.805223 0.000460 LBFGSLineSearch: 16 17:03:35 396.805223 0.000049 LBFGSLineSearch: 17 17:03:36 396.805223 0.000000 Minimization converged after 17 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:42 444.507052 3.407274 LBFGSLineSearch: 1 17:03:43 443.914465 0.183356 LBFGSLineSearch: 2 17:03:44 443.914069 0.087111 LBFGSLineSearch: 3 17:03:45 443.913797 0.046166 LBFGSLineSearch: 4 17:03:45 443.913716 0.051360 LBFGSLineSearch: 5 17:03:45 443.913647 0.063598 LBFGSLineSearch: 6 17:03:45 443.913539 0.041695 LBFGSLineSearch: 7 17:03:45 443.913493 0.047896 LBFGSLineSearch: 8 17:03:45 443.913418 0.025192 LBFGSLineSearch: 9 17:03:45 443.913381 0.012066 LBFGSLineSearch: 10 17:03:45 443.913371 0.010369 LBFGSLineSearch: 11 17:03:45 443.913365 0.008385 LBFGSLineSearch: 12 17:03:46 443.913362 0.011057 LBFGSLineSearch: 13 17:03:46 443.913358 0.001776 LBFGSLineSearch: 14 17:03:46 443.913358 0.000733 LBFGSLineSearch: 15 17:03:46 443.913358 0.000516 LBFGSLineSearch: 16 17:03:46 443.913358 0.000234 LBFGSLineSearch: 17 17:03:46 443.913358 0.000065 LBFGSLineSearch: 18 17:03:47 443.913358 0.000000 Minimization converged after 18 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:03:52 496.149983 3.731188 LBFGSLineSearch: 1 17:03:53 495.487342 0.197935 LBFGSLineSearch: 2 17:03:54 495.486923 0.095869 LBFGSLineSearch: 3 17:03:54 495.486630 0.044046 LBFGSLineSearch: 4 17:03:54 495.486547 0.048621 LBFGSLineSearch: 5 17:03:54 495.486492 0.074842 LBFGSLineSearch: 6 17:03:54 495.486391 0.041419 LBFGSLineSearch: 7 17:03:54 495.486349 0.052375 LBFGSLineSearch: 8 17:03:55 495.486275 0.024111 LBFGSLineSearch: 9 17:03:55 495.486237 0.013338 LBFGSLineSearch: 10 17:03:55 495.486225 0.010193 LBFGSLineSearch: 11 17:03:55 495.486219 0.007982 LBFGSLineSearch: 12 17:03:56 495.486216 0.008514 LBFGSLineSearch: 13 17:03:56 495.486213 0.001370 LBFGSLineSearch: 14 17:03:56 495.486213 0.000870 LBFGSLineSearch: 15 17:03:56 495.486213 0.000917 LBFGSLineSearch: 16 17:03:56 495.486213 0.000181 LBFGSLineSearch: 17 17:03:57 495.486213 0.000001 Minimization converged after 17 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:03 552.658999 4.083770 LBFGSLineSearch: 1 17:04:04 551.918886 0.213807 LBFGSLineSearch: 2 17:04:04 551.918441 0.105585 LBFGSLineSearch: 3 17:04:04 551.918126 0.047090 LBFGSLineSearch: 4 17:04:05 551.918043 0.044646 LBFGSLineSearch: 5 17:04:05 551.917986 0.050494 LBFGSLineSearch: 6 17:04:06 551.917909 0.044000 LBFGSLineSearch: 7 17:04:06 551.917864 0.052028 LBFGSLineSearch: 8 17:04:06 551.917797 0.035192 LBFGSLineSearch: 9 17:04:06 551.917761 0.014774 LBFGSLineSearch: 10 17:04:07 551.917750 0.009318 LBFGSLineSearch: 11 17:04:07 551.917744 0.009191 LBFGSLineSearch: 12 17:04:08 551.917742 0.009909 LBFGSLineSearch: 13 17:04:08 551.917738 0.001738 LBFGSLineSearch: 14 17:04:08 551.917738 0.000946 LBFGSLineSearch: 15 17:04:09 551.917738 0.000851 LBFGSLineSearch: 16 17:04:09 551.917737 0.000121 LBFGSLineSearch: 17 17:04:10 551.917737 0.000004 Minimization converged after 17 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:16 614.460929 4.467373 LBFGSLineSearch: 1 17:04:17 613.635210 0.231190 LBFGSLineSearch: 2 17:04:18 613.634735 0.116523 LBFGSLineSearch: 3 17:04:18 613.634396 0.050927 LBFGSLineSearch: 4 17:04:19 613.634313 0.039488 LBFGSLineSearch: 5 17:04:19 613.634260 0.049114 LBFGSLineSearch: 6 17:04:19 613.634202 0.046684 LBFGSLineSearch: 7 17:04:19 613.634157 0.053108 LBFGSLineSearch: 8 17:04:19 613.634106 0.038185 LBFGSLineSearch: 9 17:04:19 613.634065 0.014748 LBFGSLineSearch: 10 17:04:19 613.634054 0.009568 LBFGSLineSearch: 11 17:04:20 613.634049 0.009729 LBFGSLineSearch: 12 17:04:20 613.634046 0.007480 LBFGSLineSearch: 13 17:04:21 613.634041 0.004492 LBFGSLineSearch: 14 17:04:21 613.634041 0.001239 LBFGSLineSearch: 15 17:04:21 613.634040 0.000944 LBFGSLineSearch: 16 17:04:21 613.634040 0.001070 LBFGSLineSearch: 17 17:04:21 613.634040 0.000039 LBFGSLineSearch: 18 17:04:22 613.634040 0.000001 Minimization converged after 18 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:28 682.017214 4.884513 LBFGSLineSearch: 1 17:04:29 681.276944 2.195586 LBFGSLineSearch: 2 17:04:29 681.103159 0.955068 LBFGSLineSearch: 3 17:04:29 681.096764 0.144835 LBFGSLineSearch: 4 17:04:29 681.096273 0.093484 LBFGSLineSearch: 5 17:04:30 681.096027 0.080294 LBFGSLineSearch: 6 17:04:30 681.095956 0.037195 LBFGSLineSearch: 7 17:04:30 681.095933 0.042524 LBFGSLineSearch: 8 17:04:30 681.095883 0.035635 LBFGSLineSearch: 9 17:04:30 681.095826 0.018447 LBFGSLineSearch: 10 17:04:30 681.095816 0.013920 LBFGSLineSearch: 11 17:04:31 681.095811 0.015523 LBFGSLineSearch: 12 17:04:31 681.095808 0.008502 LBFGSLineSearch: 13 17:04:31 681.095805 0.005757 LBFGSLineSearch: 14 17:04:32 681.095803 0.003841 LBFGSLineSearch: 15 17:04:32 681.095801 0.002203 LBFGSLineSearch: 16 17:04:32 681.095801 0.001071 LBFGSLineSearch: 17 17:04:33 681.095801 0.000697 LBFGSLineSearch: 18 17:04:36 681.095801 0.000852 LBFGSLineSearch: 19 17:04:36 681.095801 0.000301 LBFGSLineSearch: 20 17:04:36 681.095801 0.000008 Minimization converged after 20 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:43 755.826526 5.337910 LBFGSLineSearch: 1 17:04:44 754.967210 2.179845 LBFGSLineSearch: 2 17:04:44 754.810293 1.136572 LBFGSLineSearch: 3 17:04:44 754.802116 0.176993 LBFGSLineSearch: 4 17:04:45 754.801436 0.113298 LBFGSLineSearch: 5 17:04:45 754.801074 0.099991 LBFGSLineSearch: 6 17:04:45 754.800975 0.029720 LBFGSLineSearch: 7 17:04:46 754.800952 0.035514 LBFGSLineSearch: 8 17:04:46 754.800925 0.030742 LBFGSLineSearch: 9 17:04:46 754.800863 0.014889 LBFGSLineSearch: 10 17:04:46 754.800856 0.009633 LBFGSLineSearch: 11 17:04:46 754.800854 0.010218 LBFGSLineSearch: 12 17:04:46 754.800851 0.006533 LBFGSLineSearch: 13 17:04:46 754.800849 0.003435 LBFGSLineSearch: 14 17:04:47 754.800847 0.001805 LBFGSLineSearch: 15 17:04:47 754.800847 0.001091 LBFGSLineSearch: 16 17:04:48 754.800847 0.000879 LBFGSLineSearch: 17 17:04:48 754.800847 0.000597 LBFGSLineSearch: 18 17:04:48 754.800847 0.000145 LBFGSLineSearch: 19 17:04:48 754.800847 0.000011 LBFGSLineSearch: 20 17:04:48 754.800847 0.000000 Minimization converged after 20 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:54 836.427477 5.830474 LBFGSLineSearch: 1 17:04:55 835.434007 2.123121 LBFGSLineSearch: 2 17:04:55 835.299049 1.347108 LBFGSLineSearch: 3 17:04:55 835.288771 0.240532 LBFGSLineSearch: 4 17:04:56 835.287783 0.158458 LBFGSLineSearch: 5 17:04:56 835.287224 0.127047 LBFGSLineSearch: 6 17:04:56 835.287075 0.033531 LBFGSLineSearch: 7 17:04:56 835.287047 0.029156 LBFGSLineSearch: 8 17:04:56 835.287030 0.027387 LBFGSLineSearch: 9 17:04:57 835.286977 0.017521 LBFGSLineSearch: 10 17:04:57 835.286971 0.008779 LBFGSLineSearch: 11 17:04:57 835.286969 0.008223 LBFGSLineSearch: 12 17:04:58 835.286967 0.006079 LBFGSLineSearch: 13 17:04:58 835.286965 0.002938 LBFGSLineSearch: 14 17:04:59 835.286965 0.001411 LBFGSLineSearch: 15 17:04:59 835.286964 0.000989 LBFGSLineSearch: 16 17:04:59 835.286964 0.000765 LBFGSLineSearch: 17 17:05:00 835.286964 0.000422 LBFGSLineSearch: 18 17:05:00 835.286964 0.000037 LBFGSLineSearch: 19 17:05:00 835.286964 0.000001 Minimization converged after 19 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:06 924.401975 6.365358 LBFGSLineSearch: 1 17:05:07 923.258706 2.014145 LBFGSLineSearch: 2 17:05:07 923.149872 1.551574 LBFGSLineSearch: 3 17:05:08 923.137965 0.325751 LBFGSLineSearch: 4 17:05:08 923.136583 0.217725 LBFGSLineSearch: 5 17:05:08 923.135750 0.160223 LBFGSLineSearch: 6 17:05:09 923.135520 0.044473 LBFGSLineSearch: 7 17:05:09 923.135474 0.028005 LBFGSLineSearch: 8 17:05:09 923.135458 0.022875 LBFGSLineSearch: 9 17:05:09 923.135416 0.023136 LBFGSLineSearch: 10 17:05:09 923.135411 0.006607 LBFGSLineSearch: 11 17:05:09 923.135409 0.006206 LBFGSLineSearch: 12 17:05:09 923.135408 0.007539 LBFGSLineSearch: 13 17:05:09 923.135407 0.005052 LBFGSLineSearch: 14 17:05:10 923.135407 0.000910 LBFGSLineSearch: 15 17:05:10 923.135407 0.000694 LBFGSLineSearch: 16 17:05:10 923.135407 0.000533 LBFGSLineSearch: 17 17:05:10 923.135407 0.000248 LBFGSLineSearch: 18 17:05:10 923.135407 0.000061 LBFGSLineSearch: 19 17:05:10 923.135407 0.000003 Minimization converged after 19 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:16 1020.379125 6.945981 LBFGSLineSearch: 1 17:05:17 1019.070129 1.840355 LBFGSLineSearch: 2 17:05:18 1018.992134 1.810613 LBFGSLineSearch: 3 17:05:21 1018.978179 0.474332 LBFGSLineSearch: 4 17:05:21 1018.976024 0.313679 LBFGSLineSearch: 5 17:05:22 1018.974661 0.218758 LBFGSLineSearch: 6 17:05:22 1018.974249 0.066537 LBFGSLineSearch: 7 17:05:22 1018.974167 0.034898 LBFGSLineSearch: 8 17:05:23 1018.974147 0.019154 LBFGSLineSearch: 9 17:05:23 1018.974117 0.026457 LBFGSLineSearch: 10 17:05:23 1018.974110 0.010097 LBFGSLineSearch: 11 17:05:24 1018.974108 0.005370 LBFGSLineSearch: 12 17:05:24 1018.974107 0.004534 LBFGSLineSearch: 13 17:05:25 1018.974106 0.004416 LBFGSLineSearch: 14 17:05:25 1018.974106 0.001236 LBFGSLineSearch: 15 17:05:25 1018.974106 0.000929 LBFGSLineSearch: 16 17:05:26 1018.974106 0.000423 LBFGSLineSearch: 17 17:05:26 1018.974106 0.000164 LBFGSLineSearch: 18 17:05:26 1018.974106 0.000000 Minimization converged after 18 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:32 1125.038274 7.576012 LBFGSLineSearch: 1 17:05:33 1123.548267 1.586520 LBFGSLineSearch: 2 17:05:33 1123.504425 2.109706 LBFGSLineSearch: 3 17:05:33 1123.488556 0.727509 LBFGSLineSearch: 4 17:05:33 1123.484897 0.468877 LBFGSLineSearch: 5 17:05:34 1123.482526 0.310069 LBFGSLineSearch: 6 17:05:34 1123.481758 0.098330 LBFGSLineSearch: 7 17:05:34 1123.481603 0.041073 LBFGSLineSearch: 8 17:05:34 1123.481579 0.018370 LBFGSLineSearch: 9 17:05:34 1123.481562 0.032190 LBFGSLineSearch: 10 17:05:34 1123.481551 0.015341 LBFGSLineSearch: 11 17:05:35 1123.481548 0.005375 LBFGSLineSearch: 12 17:05:35 1123.481548 0.003933 LBFGSLineSearch: 13 17:05:35 1123.481547 0.003631 LBFGSLineSearch: 14 17:05:36 1123.481547 0.001959 LBFGSLineSearch: 15 17:05:36 1123.481547 0.000658 LBFGSLineSearch: 16 17:05:36 1123.481547 0.000321 LBFGSLineSearch: 17 17:05:36 1123.481547 0.000266 LBFGSLineSearch: 18 17:05:36 1123.481547 0.000004 Minimization converged after 18 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:42 1239.113466 8.259425 LBFGSLineSearch: 1 17:05:44 1237.428659 1.238445 LBFGSLineSearch: 2 17:05:44 1237.404728 1.214600 LBFGSLineSearch: 3 17:05:44 1237.392124 0.280617 LBFGSLineSearch: 4 17:05:45 1237.391032 0.157326 LBFGSLineSearch: 5 17:05:45 1237.390727 0.085268 LBFGSLineSearch: 6 17:05:45 1237.390648 0.024530 LBFGSLineSearch: 7 17:05:45 1237.390642 0.021385 LBFGSLineSearch: 8 17:05:45 1237.390621 0.027304 LBFGSLineSearch: 9 17:05:46 1237.390610 0.015890 LBFGSLineSearch: 10 17:05:46 1237.390604 0.009024 LBFGSLineSearch: 11 17:05:46 1237.390603 0.005986 LBFGSLineSearch: 12 17:05:46 1237.390603 0.003274 LBFGSLineSearch: 13 17:05:46 1237.390602 0.001934 LBFGSLineSearch: 14 17:05:46 1237.390602 0.000826 LBFGSLineSearch: 15 17:05:46 1237.390602 0.000385 LBFGSLineSearch: 16 17:05:46 1237.390602 0.000114 LBFGSLineSearch: 17 17:05:46 1237.390602 0.000079 LBFGSLineSearch: 18 17:05:46 1237.390602 0.000001 Minimization converged after 18 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:05:53 1363.397610 9.000501 LBFGSLineSearch: 1 17:05:53 1361.507170 0.771279 LBFGSLineSearch: 2 17:05:53 1361.501089 0.651349 LBFGSLineSearch: 3 17:05:54 1361.494458 0.274534 LBFGSLineSearch: 4 17:05:55 1361.493346 0.168263 LBFGSLineSearch: 5 17:05:55 1361.492987 0.095797 LBFGSLineSearch: 6 17:05:57 1361.492891 0.024397 LBFGSLineSearch: 7 17:05:57 1361.492884 0.021722 LBFGSLineSearch: 8 17:05:59 1361.492871 0.020688 LBFGSLineSearch: 9 17:06:00 1361.492861 0.017582 LBFGSLineSearch: 10 17:06:01 1361.492854 0.016481 LBFGSLineSearch: 11 17:06:02 1361.492850 0.003104 LBFGSLineSearch: 12 17:06:03 1361.492850 0.002629 LBFGSLineSearch: 13 17:06:04 1361.492850 0.001322 LBFGSLineSearch: 14 17:06:05 1361.492850 0.000712 LBFGSLineSearch: 15 17:06:05 1361.492850 0.000190 LBFGSLineSearch: 16 17:06:06 1361.492850 0.000093 LBFGSLineSearch: 17 17:06:06 1361.492850 0.000006 Minimization converged after 17 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:12 1498.746308 9.803817 LBFGSLineSearch: 1 17:06:13 1496.643682 0.365113 LBFGSLineSearch: 2 17:06:13 1496.642857 0.255356 LBFGSLineSearch: 3 17:06:14 1496.642202 0.099134 LBFGSLineSearch: 4 17:06:14 1496.642054 0.073993 LBFGSLineSearch: 5 17:06:15 1496.641965 0.063211 LBFGSLineSearch: 6 17:06:17 1496.641903 0.025158 LBFGSLineSearch: 7 17:06:17 1496.641896 0.022474 LBFGSLineSearch: 8 17:06:19 1496.641884 0.021270 LBFGSLineSearch: 9 17:06:20 1496.641875 0.016754 LBFGSLineSearch: 10 17:06:20 1496.641870 0.014617 LBFGSLineSearch: 11 17:06:21 1496.641862 0.003284 LBFGSLineSearch: 12 17:06:21 1496.641862 0.002829 LBFGSLineSearch: 13 17:06:21 1496.641862 0.000516 LBFGSLineSearch: 14 17:06:21 1496.641862 0.000435 LBFGSLineSearch: 15 17:06:22 1496.641862 0.000287 LBFGSLineSearch: 16 17:06:22 1496.641862 0.000004 Minimization converged after 16 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:28 1646.080999 10.674227 LBFGSLineSearch: 1 17:06:29 1643.767473 0.674349 LBFGSLineSearch: 2 17:06:31 1643.764429 0.543174 LBFGSLineSearch: 3 17:06:32 1643.759981 0.298248 LBFGSLineSearch: 4 17:06:33 1643.758722 0.202835 LBFGSLineSearch: 5 17:06:34 1643.758193 0.115258 LBFGSLineSearch: 6 17:06:35 1643.758048 0.030487 LBFGSLineSearch: 7 17:06:36 1643.758036 0.024532 LBFGSLineSearch: 8 17:06:36 1643.758025 0.022640 LBFGSLineSearch: 9 17:06:36 1643.758017 0.017254 LBFGSLineSearch: 10 17:06:37 1643.758010 0.024434 LBFGSLineSearch: 11 17:06:37 1643.757998 0.007340 LBFGSLineSearch: 12 17:06:38 1643.757996 0.002459 LBFGSLineSearch: 13 17:06:38 1643.757996 0.001889 LBFGSLineSearch: 14 17:06:39 1643.757996 0.000957 LBFGSLineSearch: 15 17:06:39 1643.757996 0.000763 LBFGSLineSearch: 16 17:06:39 1643.757996 0.000223 LBFGSLineSearch: 17 17:06:40 1643.757996 0.000004 Minimization converged after 17 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:46 1806.395472 11.616961 LBFGSLineSearch: 1 17:06:46 1803.881788 1.648424 LBFGSLineSearch: 2 17:06:46 1803.858234 1.500120 LBFGSLineSearch: 3 17:06:46 1803.836438 0.587480 LBFGSLineSearch: 4 17:06:47 1803.833436 0.306756 LBFGSLineSearch: 5 17:06:47 1803.832505 0.149091 LBFGSLineSearch: 6 17:06:47 1803.832314 0.035911 LBFGSLineSearch: 7 17:06:47 1803.832295 0.028825 LBFGSLineSearch: 8 17:06:48 1803.832280 0.024364 LBFGSLineSearch: 9 17:06:48 1803.832269 0.020127 LBFGSLineSearch: 10 17:06:48 1803.832249 0.016795 LBFGSLineSearch: 11 17:06:48 1803.832244 0.016778 LBFGSLineSearch: 12 17:06:48 1803.832240 0.003528 LBFGSLineSearch: 13 17:06:48 1803.832240 0.002496 LBFGSLineSearch: 14 17:06:48 1803.832240 0.002055 LBFGSLineSearch: 15 17:06:49 1803.832240 0.001299 LBFGSLineSearch: 16 17:06:49 1803.832240 0.000440 LBFGSLineSearch: 17 17:06:49 1803.832240 0.000159 LBFGSLineSearch: 18 17:06:49 1803.832240 0.000069 LBFGSLineSearch: 19 17:06:49 1803.832240 0.000015 LBFGSLineSearch: 20 17:06:49 1803.832240 0.000000 Minimization converged after 20 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:56 1980.757001 12.637483 LBFGSLineSearch: 1 17:06:57 1978.068453 2.854318 LBFGSLineSearch: 2 17:06:57 1977.982792 2.848656 LBFGSLineSearch: 3 17:06:58 1977.935879 0.799115 LBFGSLineSearch: 4 17:06:58 1977.931436 0.376688 LBFGSLineSearch: 5 17:06:58 1977.930133 0.206432 LBFGSLineSearch: 6 17:06:59 1977.929891 0.048058 LBFGSLineSearch: 7 17:07:00 1977.929860 0.036496 LBFGSLineSearch: 8 17:07:01 1977.929839 0.031924 LBFGSLineSearch: 9 17:07:02 1977.929823 0.024778 LBFGSLineSearch: 10 17:07:04 1977.929809 0.037719 LBFGSLineSearch: 11 17:07:05 1977.929788 0.015189 LBFGSLineSearch: 12 17:07:05 1977.929780 0.005008 LBFGSLineSearch: 13 17:07:06 1977.929780 0.003309 LBFGSLineSearch: 14 17:07:06 1977.929780 0.002596 LBFGSLineSearch: 15 17:07:06 1977.929780 0.002016 LBFGSLineSearch: 16 17:07:06 1977.929780 0.000337 LBFGSLineSearch: 17 17:07:06 1977.929780 0.000138 LBFGSLineSearch: 18 17:07:06 1977.929780 0.000015 LBFGSLineSearch: 19 17:07:07 1977.929780 0.000000 Minimization converged after 19 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:13 2170.312112 13.741595 LBFGSLineSearch: 1 17:07:13 2167.493353 4.329126 LBFGSLineSearch: 2 17:07:14 2167.283033 4.427260 LBFGSLineSearch: 3 17:07:14 2167.203070 1.081111 LBFGSLineSearch: 4 17:07:14 2167.196875 0.471957 LBFGSLineSearch: 5 17:07:15 2167.195076 0.322180 LBFGSLineSearch: 6 17:07:16 2167.194758 0.094190 LBFGSLineSearch: 7 17:07:16 2167.194697 0.087313 LBFGSLineSearch: 8 17:07:17 2167.194656 0.048095 LBFGSLineSearch: 9 17:07:18 2167.194627 0.031816 LBFGSLineSearch: 10 17:07:18 2167.194611 0.045679 LBFGSLineSearch: 11 17:07:18 2167.194585 0.038181 LBFGSLineSearch: 12 17:07:18 2167.194568 0.033213 LBFGSLineSearch: 13 17:07:18 2167.194561 0.009582 LBFGSLineSearch: 14 17:07:18 2167.194560 0.005938 LBFGSLineSearch: 15 17:07:18 2167.194559 0.002236 LBFGSLineSearch: 16 17:07:18 2167.194559 0.002113 LBFGSLineSearch: 17 17:07:18 2167.194559 0.000448 LBFGSLineSearch: 18 17:07:18 2167.194559 0.000182 LBFGSLineSearch: 19 17:07:19 2167.194559 0.000005 Minimization converged after 19 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:25 2376.289761 14.935373 LBFGSLineSearch: 1 17:07:25 2373.191876 4.795500 LBFGSLineSearch: 2 17:07:26 2372.967730 5.336262 LBFGSLineSearch: 3 17:07:27 2372.863115 1.317972 LBFGSLineSearch: 4 17:07:27 2372.854832 0.546955 LBFGSLineSearch: 5 17:07:28 2372.852379 0.405630 LBFGSLineSearch: 6 17:07:28 2372.851968 0.100772 LBFGSLineSearch: 7 17:07:29 2372.851876 0.090650 LBFGSLineSearch: 8 17:07:29 2372.851825 0.060694 LBFGSLineSearch: 9 17:07:31 2372.851788 0.049383 LBFGSLineSearch: 10 17:07:31 2372.851763 0.053823 LBFGSLineSearch: 11 17:07:32 2372.851716 0.045573 LBFGSLineSearch: 12 17:07:32 2372.851692 0.040860 LBFGSLineSearch: 13 17:07:32 2372.851683 0.012622 LBFGSLineSearch: 14 17:07:32 2372.851681 0.008253 LBFGSLineSearch: 15 17:07:32 2372.851680 0.003232 LBFGSLineSearch: 16 17:07:32 2372.851680 0.002149 LBFGSLineSearch: 17 17:07:32 2372.851679 0.000735 LBFGSLineSearch: 18 17:07:32 2372.851679 0.000260 LBFGSLineSearch: 19 17:07:32 2372.851679 0.000071 LBFGSLineSearch: 20 17:07:32 2372.851679 0.000001 Minimization converged after 20 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:39 2600.002250 16.225042 LBFGSLineSearch: 1 17:07:39 2596.537966 4.885342 LBFGSLineSearch: 2 17:07:40 2596.350642 5.827281 LBFGSLineSearch: 3 17:07:41 2596.225354 1.591085 LBFGSLineSearch: 4 17:07:42 2596.214062 0.614256 LBFGSLineSearch: 5 17:07:43 2596.210664 0.491173 LBFGSLineSearch: 6 17:07:44 2596.210113 0.102239 LBFGSLineSearch: 7 17:07:45 2596.209979 0.081164 LBFGSLineSearch: 8 17:07:46 2596.209916 0.072989 LBFGSLineSearch: 9 17:07:47 2596.209875 0.066611 LBFGSLineSearch: 10 17:07:48 2596.209824 0.065307 LBFGSLineSearch: 11 17:07:48 2596.209752 0.049582 LBFGSLineSearch: 12 17:07:48 2596.209717 0.042348 LBFGSLineSearch: 13 17:07:49 2596.209710 0.022698 LBFGSLineSearch: 14 17:07:49 2596.209707 0.007776 LBFGSLineSearch: 15 17:07:50 2596.209705 0.001244 LBFGSLineSearch: 16 17:07:50 2596.209705 0.000682 LBFGSLineSearch: 17 17:07:50 2596.209705 0.000085 LBFGSLineSearch: 18 17:07:51 2596.209705 0.000002 Minimization converged after 18 steps. Pressure: 9195.209099750382 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:07:57 2842.847778 17.617007 LBFGSLineSearch: 1 17:07:58 2838.974696 4.937322 LBFGSLineSearch: 2 17:07:59 2838.827571 6.038948 LBFGSLineSearch: 3 17:08:01 2838.684759 1.931518 LBFGSLineSearch: 4 17:08:01 2838.668734 0.751244 LBFGSLineSearch: 5 17:08:02 2838.663938 0.571236 LBFGSLineSearch: 6 17:08:03 2838.663158 0.119569 LBFGSLineSearch: 7 17:08:03 2838.662960 0.100500 LBFGSLineSearch: 8 17:08:03 2838.662865 0.089739 LBFGSLineSearch: 9 17:08:03 2838.662819 0.072550 LBFGSLineSearch: 10 17:08:04 2838.662663 0.075542 LBFGSLineSearch: 11 17:08:04 2838.662594 0.065691 LBFGSLineSearch: 12 17:08:05 2838.662571 0.029629 LBFGSLineSearch: 13 17:08:05 2838.662567 0.021252 LBFGSLineSearch: 14 17:08:05 2838.662563 0.020524 LBFGSLineSearch: 15 17:08:05 2838.662561 0.007350 LBFGSLineSearch: 16 17:08:05 2838.662561 0.000936 LBFGSLineSearch: 17 17:08:06 2838.662561 0.000398 LBFGSLineSearch: 18 17:08:06 2838.662561 0.000089 LBFGSLineSearch: 19 17:08:06 2838.662561 0.000005 Minimization converged after 19 steps. Pressure: 10321.273240738801 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:12 3106.311413 19.117777 LBFGSLineSearch: 1 17:08:13 3101.981581 4.938977 LBFGSLineSearch: 2 17:08:14 3101.874110 5.802025 LBFGSLineSearch: 3 17:08:14 3101.722595 2.343488 LBFGSLineSearch: 4 17:08:16 3101.699162 0.937158 LBFGSLineSearch: 5 17:08:17 3101.692273 0.668314 LBFGSLineSearch: 6 17:08:17 3101.691110 0.175521 LBFGSLineSearch: 7 17:08:18 3101.690819 0.122920 LBFGSLineSearch: 8 17:08:18 3101.690704 0.109712 LBFGSLineSearch: 9 17:08:18 3101.690588 0.104324 LBFGSLineSearch: 10 17:08:18 3101.690479 0.120159 LBFGSLineSearch: 11 17:08:18 3101.690308 0.065908 LBFGSLineSearch: 12 17:08:19 3101.690227 0.031954 LBFGSLineSearch: 13 17:08:19 3101.690223 0.024659 LBFGSLineSearch: 14 17:08:19 3101.690215 0.020519 LBFGSLineSearch: 15 17:08:19 3101.690213 0.009332 LBFGSLineSearch: 16 17:08:19 3101.690212 0.001019 LBFGSLineSearch: 17 17:08:19 3101.690212 0.000633 LBFGSLineSearch: 18 17:08:19 3101.690212 0.000011 LBFGSLineSearch: 19 17:08:19 3101.690212 0.000000 Minimization converged after 19 steps. Pressure: 11585.237502960379 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:25 3391.964078 20.733848 LBFGSLineSearch: 1 17:08:25 3387.123898 4.878790 LBFGSLineSearch: 2 17:08:26 3387.050177 5.151954 LBFGSLineSearch: 3 17:08:26 3386.905692 2.776029 LBFGSLineSearch: 4 17:08:26 3386.871170 1.162025 LBFGSLineSearch: 5 17:08:26 3386.861120 0.755587 LBFGSLineSearch: 6 17:08:26 3386.859313 0.269195 LBFGSLineSearch: 7 17:08:27 3386.858873 0.155187 LBFGSLineSearch: 8 17:08:27 3386.858726 0.137365 LBFGSLineSearch: 9 17:08:28 3386.858542 0.170006 LBFGSLineSearch: 10 17:08:28 3386.858393 0.132740 LBFGSLineSearch: 11 17:08:29 3386.858072 0.084687 LBFGSLineSearch: 12 17:08:30 3386.857953 0.041138 LBFGSLineSearch: 13 17:08:30 3386.857945 0.034289 LBFGSLineSearch: 14 17:08:30 3386.857931 0.037409 LBFGSLineSearch: 15 17:08:30 3386.857928 0.011973 LBFGSLineSearch: 16 17:08:30 3386.857927 0.001152 LBFGSLineSearch: 17 17:08:30 3386.857927 0.000525 LBFGSLineSearch: 18 17:08:31 3386.857927 0.000012 LBFGSLineSearch: 19 17:08:32 3386.857927 0.000000 Minimization converged after 19 steps. Pressure: 13003.989417723476 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:38 3701.460814 22.471635 LBFGSLineSearch: 1 17:08:39 3696.050219 4.742760 LBFGSLineSearch: 2 17:08:40 3696.002064 4.314307 LBFGSLineSearch: 3 17:08:41 3695.881903 3.073931 LBFGSLineSearch: 4 17:08:43 3695.833786 1.407012 LBFGSLineSearch: 5 17:08:43 3695.819138 0.878742 LBFGSLineSearch: 6 17:08:43 3695.816285 0.413792 LBFGSLineSearch: 7 17:08:44 3695.815592 0.195667 LBFGSLineSearch: 8 17:08:44 3695.815400 0.173456 LBFGSLineSearch: 9 17:08:44 3695.815231 0.174169 LBFGSLineSearch: 10 17:08:45 3695.814843 0.138666 LBFGSLineSearch: 11 17:08:45 3695.814323 0.106334 LBFGSLineSearch: 12 17:08:45 3695.814148 0.063259 LBFGSLineSearch: 13 17:08:45 3695.814131 0.048460 LBFGSLineSearch: 14 17:08:45 3695.814109 0.039125 LBFGSLineSearch: 15 17:08:45 3695.814102 0.016058 LBFGSLineSearch: 16 17:08:45 3695.814101 0.001205 LBFGSLineSearch: 17 17:08:45 3695.814101 0.000349 LBFGSLineSearch: 18 17:08:45 3695.814101 0.000007 Minimization converged after 18 steps. Pressure: 14596.484598011308 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:51 4036.535600 24.337254 LBFGSLineSearch: 1 17:08:52 4030.486376 4.512906 LBFGSLineSearch: 2 17:08:52 4030.455428 4.329605 LBFGSLineSearch: 3 17:08:53 4030.371135 3.049518 LBFGSLineSearch: 4 17:08:53 4030.313002 1.761197 LBFGSLineSearch: 5 17:08:53 4030.292426 1.344131 LBFGSLineSearch: 6 17:08:53 4030.287343 0.515870 LBFGSLineSearch: 7 17:08:53 4030.286231 0.305318 LBFGSLineSearch: 8 17:08:54 4030.285963 0.227911 LBFGSLineSearch: 9 17:08:54 4030.285732 0.230033 LBFGSLineSearch: 10 17:08:55 4030.284992 0.184078 LBFGSLineSearch: 11 17:08:55 4030.284169 0.138798 LBFGSLineSearch: 12 17:08:55 4030.283911 0.118717 LBFGSLineSearch: 13 17:08:55 4030.283878 0.055132 LBFGSLineSearch: 14 17:08:55 4030.283838 0.071766 LBFGSLineSearch: 15 17:08:55 4030.283823 0.016563 LBFGSLineSearch: 16 17:08:55 4030.283820 0.002362 LBFGSLineSearch: 17 17:08:55 4030.283820 0.000820 LBFGSLineSearch: 18 17:08:55 4030.283820 0.000225 LBFGSLineSearch: 19 17:08:55 4030.283820 0.000016 LBFGSLineSearch: 20 17:08:56 4030.283820 0.000016 LBFGSLineSearch: 21 17:08:56 4030.283820 0.000000 Minimization converged after 21 steps. Pressure: 16383.999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:01 4398.989898 26.336149 LBFGSLineSearch: 1 17:09:02 4392.226115 4.171875 LBFGSLineSearch: 2 17:09:03 4392.205082 4.140065 LBFGSLineSearch: 3 17:09:03 4392.155671 2.969893 LBFGSLineSearch: 4 17:09:04 4392.100401 2.112421 LBFGSLineSearch: 5 17:09:04 4392.075544 1.951477 LBFGSLineSearch: 6 17:09:05 4392.064805 0.858132 LBFGSLineSearch: 7 17:09:05 4392.062651 0.334996 LBFGSLineSearch: 8 17:09:06 4392.062271 0.338988 LBFGSLineSearch: 9 17:09:06 4392.061914 0.312369 LBFGSLineSearch: 10 17:09:06 4392.060518 0.250379 LBFGSLineSearch: 11 17:09:06 4392.059146 0.173211 LBFGSLineSearch: 12 17:09:07 4392.058759 0.117204 LBFGSLineSearch: 13 17:09:07 4392.058688 0.052620 LBFGSLineSearch: 14 17:09:08 4392.058638 0.081832 LBFGSLineSearch: 15 17:09:08 4392.058619 0.022740 LBFGSLineSearch: 16 17:09:09 4392.058617 0.001299 LBFGSLineSearch: 17 17:09:09 4392.058617 0.000344 LBFGSLineSearch: 18 17:09:09 4392.058617 0.000005 Minimization converged after 18 steps. Pressure: 18390.418199500764 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:15 4790.678903 28.472881 Failed to get energy or crystal structure at pressure 18390.418199500764 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:16 -71.737874 0.000339 LBFGSLineSearch: 1 17:09:16 -71.737874 0.000133 LBFGSLineSearch: 2 17:09:17 -71.737874 0.000132 LBFGSLineSearch: 3 17:09:17 -71.737874 0.000082 LBFGSLineSearch: 4 17:09:18 -71.737874 0.000057 LBFGSLineSearch: 5 17:09:19 -71.737874 0.000021 LBFGSLineSearch: 6 17:09:20 -71.737874 0.000016 LBFGSLineSearch: 7 17:09:22 -71.737874 0.000014 LBFGSLineSearch: 8 17:09:22 -71.737874 0.000013 LBFGSLineSearch: 9 17:09:23 -71.737874 0.000005 Minimization converged after 9 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:28 -72.129773 0.027996 LBFGSLineSearch: 1 17:09:29 -72.130187 0.006571 LBFGSLineSearch: 2 17:09:29 -72.130206 0.006237 LBFGSLineSearch: 3 17:09:29 -72.130219 0.004880 LBFGSLineSearch: 4 17:09:29 -72.130235 0.002898 LBFGSLineSearch: 5 17:09:30 -72.130237 0.002156 LBFGSLineSearch: 6 17:09:30 -72.130238 0.001642 LBFGSLineSearch: 7 17:09:30 -72.130239 0.001578 LBFGSLineSearch: 8 17:09:30 -72.130240 0.001113 LBFGSLineSearch: 9 17:09:30 -72.130241 0.001037 LBFGSLineSearch: 10 17:09:30 -72.130242 0.000408 LBFGSLineSearch: 11 17:09:30 -72.130242 0.000402 LBFGSLineSearch: 12 17:09:30 -72.130242 0.000538 LBFGSLineSearch: 13 17:09:31 -72.130242 0.000410 LBFGSLineSearch: 14 17:09:31 -72.130242 0.000109 LBFGSLineSearch: 15 17:09:31 -72.130242 0.000086 LBFGSLineSearch: 16 17:09:31 -72.130242 0.000089 LBFGSLineSearch: 17 17:09:31 -72.130242 0.000082 LBFGSLineSearch: 18 17:09:31 -72.130242 0.000094 LBFGSLineSearch: 19 17:09:31 -72.130242 0.000089 LBFGSLineSearch: 20 17:09:31 -72.130242 0.000068 LBFGSLineSearch: 21 17:09:31 -72.130242 0.000033 LBFGSLineSearch: 22 17:09:31 -72.130242 0.000029 LBFGSLineSearch: 23 17:09:31 -72.130242 0.000009 Minimization converged after 23 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:37 -72.523081 0.028067 LBFGSLineSearch: 1 17:09:38 -72.523500 0.006802 LBFGSLineSearch: 2 17:09:39 -72.523520 0.006308 LBFGSLineSearch: 3 17:09:39 -72.523534 0.004961 LBFGSLineSearch: 4 17:09:40 -72.523550 0.002961 LBFGSLineSearch: 5 17:09:40 -72.523553 0.002184 LBFGSLineSearch: 6 17:09:40 -72.523554 0.001660 LBFGSLineSearch: 7 17:09:40 -72.523555 0.001588 LBFGSLineSearch: 8 17:09:41 -72.523556 0.001115 LBFGSLineSearch: 9 17:09:41 -72.523557 0.001036 LBFGSLineSearch: 10 17:09:41 -72.523557 0.000420 LBFGSLineSearch: 11 17:09:42 -72.523557 0.000407 LBFGSLineSearch: 12 17:09:42 -72.523557 0.000548 LBFGSLineSearch: 13 17:09:43 -72.523558 0.000416 LBFGSLineSearch: 14 17:09:44 -72.523558 0.000262 LBFGSLineSearch: 15 17:09:44 -72.523558 0.000094 LBFGSLineSearch: 16 17:09:44 -72.523558 0.000080 LBFGSLineSearch: 17 17:09:44 -72.523558 0.000085 LBFGSLineSearch: 18 17:09:44 -72.523558 0.000095 LBFGSLineSearch: 19 17:09:44 -72.523558 0.000098 LBFGSLineSearch: 20 17:09:44 -72.523558 0.000089 LBFGSLineSearch: 21 17:09:45 -72.523558 0.000069 LBFGSLineSearch: 22 17:09:45 -72.523558 0.000070 LBFGSLineSearch: 23 17:09:45 -72.523558 0.000041 LBFGSLineSearch: 24 17:09:45 -72.523558 0.000035 LBFGSLineSearch: 25 17:09:45 -72.523558 0.000029 LBFGSLineSearch: 26 17:09:46 -72.523558 0.000010 Minimization converged after 26 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:09:51 -72.917352 0.028137 LBFGSLineSearch: 1 17:09:52 -72.917776 0.007038 LBFGSLineSearch: 2 17:09:52 -72.917797 0.006385 LBFGSLineSearch: 3 17:09:52 -72.917812 0.005050 LBFGSLineSearch: 4 17:09:52 -72.917829 0.003024 LBFGSLineSearch: 5 17:09:52 -72.917832 0.002213 LBFGSLineSearch: 6 17:09:52 -72.917833 0.001679 LBFGSLineSearch: 7 17:09:52 -72.917833 0.001598 LBFGSLineSearch: 8 17:09:52 -72.917835 0.001116 LBFGSLineSearch: 9 17:09:53 -72.917836 0.001033 LBFGSLineSearch: 10 17:09:53 -72.917836 0.000457 LBFGSLineSearch: 11 17:09:53 -72.917836 0.000411 LBFGSLineSearch: 12 17:09:53 -72.917836 0.000557 LBFGSLineSearch: 13 17:09:53 -72.917837 0.000411 LBFGSLineSearch: 14 17:09:53 -72.917837 0.000432 LBFGSLineSearch: 15 17:09:53 -72.917837 0.000090 LBFGSLineSearch: 16 17:09:53 -72.917837 0.000083 LBFGSLineSearch: 17 17:09:53 -72.917837 0.000084 LBFGSLineSearch: 18 17:09:53 -72.917837 0.000100 LBFGSLineSearch: 19 17:09:53 -72.917837 0.000107 LBFGSLineSearch: 20 17:09:53 -72.917837 0.000091 LBFGSLineSearch: 21 17:09:54 -72.917837 0.000071 LBFGSLineSearch: 22 17:09:54 -72.917837 0.000055 LBFGSLineSearch: 23 17:09:54 -72.917837 0.000056 LBFGSLineSearch: 24 17:09:55 -72.917837 0.000038 LBFGSLineSearch: 25 17:09:56 -72.917837 0.000013 LBFGSLineSearch: 26 17:09:56 -72.917837 0.000008 Minimization converged after 26 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:02 -73.312603 0.028204 LBFGSLineSearch: 1 17:10:04 -73.313031 0.007282 LBFGSLineSearch: 2 17:10:04 -73.313054 0.006459 LBFGSLineSearch: 3 17:10:05 -73.313070 0.005143 LBFGSLineSearch: 4 17:10:05 -73.313088 0.003091 LBFGSLineSearch: 5 17:10:05 -73.313090 0.002246 LBFGSLineSearch: 6 17:10:05 -73.313092 0.001701 LBFGSLineSearch: 7 17:10:06 -73.313092 0.001609 LBFGSLineSearch: 8 17:10:06 -73.313093 0.001124 LBFGSLineSearch: 9 17:10:07 -73.313095 0.001031 LBFGSLineSearch: 10 17:10:07 -73.313095 0.000463 LBFGSLineSearch: 11 17:10:07 -73.313095 0.000412 LBFGSLineSearch: 12 17:10:07 -73.313095 0.000577 LBFGSLineSearch: 13 17:10:07 -73.313096 0.000423 LBFGSLineSearch: 14 17:10:08 -73.313096 0.000460 LBFGSLineSearch: 15 17:10:09 -73.313096 0.000100 LBFGSLineSearch: 16 17:10:09 -73.313096 0.000082 LBFGSLineSearch: 17 17:10:09 -73.313096 0.000087 LBFGSLineSearch: 18 17:10:09 -73.313096 0.000098 LBFGSLineSearch: 19 17:10:09 -73.313096 0.000112 LBFGSLineSearch: 20 17:10:10 -73.313096 0.000104 LBFGSLineSearch: 21 17:10:10 -73.313096 0.000077 LBFGSLineSearch: 22 17:10:10 -73.313096 0.000082 LBFGSLineSearch: 23 17:10:10 -73.313096 0.000047 LBFGSLineSearch: 24 17:10:10 -73.313096 0.000053 LBFGSLineSearch: 25 17:10:10 -73.313096 0.000021 LBFGSLineSearch: 26 17:10:10 -73.313096 0.000007 Minimization converged after 26 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:16 -73.708850 0.028273 LBFGSLineSearch: 1 17:10:17 -73.709283 0.007505 LBFGSLineSearch: 2 17:10:17 -73.709308 0.006537 LBFGSLineSearch: 3 17:10:18 -73.709325 0.005232 LBFGSLineSearch: 4 17:10:19 -73.709343 0.003180 LBFGSLineSearch: 5 17:10:21 -73.709346 0.002271 LBFGSLineSearch: 6 17:10:22 -73.709347 0.001783 LBFGSLineSearch: 7 17:10:23 -73.709348 0.001615 LBFGSLineSearch: 8 17:10:23 -73.709349 0.001140 LBFGSLineSearch: 9 17:10:23 -73.709350 0.001033 LBFGSLineSearch: 10 17:10:23 -73.709351 0.000509 LBFGSLineSearch: 11 17:10:24 -73.709351 0.000413 LBFGSLineSearch: 12 17:10:24 -73.709351 0.000578 LBFGSLineSearch: 13 17:10:24 -73.709351 0.000417 LBFGSLineSearch: 14 17:10:24 -73.709351 0.000495 LBFGSLineSearch: 15 17:10:24 -73.709351 0.000110 LBFGSLineSearch: 16 17:10:24 -73.709351 0.000086 LBFGSLineSearch: 17 17:10:24 -73.709351 0.000091 LBFGSLineSearch: 18 17:10:25 -73.709351 0.000099 LBFGSLineSearch: 19 17:10:25 -73.709351 0.000116 LBFGSLineSearch: 20 17:10:26 -73.709351 0.000110 LBFGSLineSearch: 21 17:10:26 -73.709351 0.000079 LBFGSLineSearch: 22 17:10:26 -73.709351 0.000086 LBFGSLineSearch: 23 17:10:26 -73.709351 0.000055 LBFGSLineSearch: 24 17:10:26 -73.709351 0.000060 LBFGSLineSearch: 25 17:10:27 -73.709351 0.000012 LBFGSLineSearch: 26 17:10:27 -73.709351 0.000007 Minimization converged after 26 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:33 -74.106111 0.028346 LBFGSLineSearch: 1 17:10:34 -74.106549 0.007720 LBFGSLineSearch: 2 17:10:35 -74.106576 0.006619 LBFGSLineSearch: 3 17:10:36 -74.106594 0.005322 LBFGSLineSearch: 4 17:10:36 -74.106612 0.003278 LBFGSLineSearch: 5 17:10:36 -74.106615 0.002295 LBFGSLineSearch: 6 17:10:36 -74.106617 0.001867 LBFGSLineSearch: 7 17:10:36 -74.106618 0.001617 LBFGSLineSearch: 8 17:10:36 -74.106619 0.001169 LBFGSLineSearch: 9 17:10:36 -74.106620 0.001037 LBFGSLineSearch: 10 17:10:37 -74.106621 0.000567 LBFGSLineSearch: 11 17:10:37 -74.106621 0.000410 LBFGSLineSearch: 12 17:10:37 -74.106621 0.000569 LBFGSLineSearch: 13 17:10:38 -74.106621 0.000404 LBFGSLineSearch: 14 17:10:38 -74.106621 0.000440 LBFGSLineSearch: 15 17:10:38 -74.106621 0.000418 LBFGSLineSearch: 16 17:10:39 -74.106621 0.000113 LBFGSLineSearch: 17 17:10:39 -74.106621 0.000107 LBFGSLineSearch: 18 17:10:40 -74.106621 0.000117 LBFGSLineSearch: 19 17:10:40 -74.106621 0.000109 LBFGSLineSearch: 20 17:10:40 -74.106621 0.000089 LBFGSLineSearch: 21 17:10:41 -74.106621 0.000078 LBFGSLineSearch: 22 17:10:42 -74.106621 0.000055 LBFGSLineSearch: 23 17:10:42 -74.106621 0.000049 LBFGSLineSearch: 24 17:10:43 -74.106621 0.000088 LBFGSLineSearch: 25 17:10:43 -74.106621 0.000058 LBFGSLineSearch: 26 17:10:43 -74.106621 0.000025 LBFGSLineSearch: 27 17:10:43 -74.106621 0.000006 Minimization converged after 27 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:50 -74.504404 0.028418 LBFGSLineSearch: 1 17:10:50 -74.504847 0.007948 LBFGSLineSearch: 2 17:10:50 -74.504876 0.006704 LBFGSLineSearch: 3 17:10:50 -74.504895 0.005412 LBFGSLineSearch: 4 17:10:50 -74.504914 0.003387 LBFGSLineSearch: 5 17:10:50 -74.504917 0.002363 LBFGSLineSearch: 6 17:10:51 -74.504919 0.001936 LBFGSLineSearch: 7 17:10:51 -74.504920 0.001630 LBFGSLineSearch: 8 17:10:51 -74.504921 0.001194 LBFGSLineSearch: 9 17:10:52 -74.504922 0.001031 LBFGSLineSearch: 10 17:10:52 -74.504923 0.000693 LBFGSLineSearch: 11 17:10:52 -74.504923 0.000439 LBFGSLineSearch: 12 17:10:52 -74.504923 0.000534 LBFGSLineSearch: 13 17:10:53 -74.504923 0.000310 LBFGSLineSearch: 14 17:10:53 -74.504923 0.000141 LBFGSLineSearch: 15 17:10:53 -74.504923 0.000110 LBFGSLineSearch: 16 17:10:53 -74.504923 0.000158 LBFGSLineSearch: 17 17:10:53 -74.504923 0.000130 LBFGSLineSearch: 18 17:10:53 -74.504923 0.000108 LBFGSLineSearch: 19 17:10:53 -74.504923 0.000109 LBFGSLineSearch: 20 17:10:53 -74.504923 0.000101 LBFGSLineSearch: 21 17:10:53 -74.504923 0.000089 LBFGSLineSearch: 22 17:10:53 -74.504923 0.000076 LBFGSLineSearch: 23 17:10:53 -74.504923 0.000060 LBFGSLineSearch: 24 17:10:53 -74.504923 0.000063 LBFGSLineSearch: 25 17:10:53 -74.504923 0.000102 LBFGSLineSearch: 26 17:10:53 -74.504923 0.000019 LBFGSLineSearch: 27 17:10:53 -74.504923 0.000005 Minimization converged after 27 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:00 -74.903748 0.028492 LBFGSLineSearch: 1 17:11:02 -74.904196 0.008175 LBFGSLineSearch: 2 17:11:04 -74.904228 0.006791 LBFGSLineSearch: 3 17:11:05 -74.904247 0.005389 LBFGSLineSearch: 4 17:11:05 -74.904267 0.003594 LBFGSLineSearch: 5 17:11:06 -74.904270 0.002932 LBFGSLineSearch: 6 17:11:06 -74.904272 0.002208 LBFGSLineSearch: 7 17:11:06 -74.904273 0.001637 LBFGSLineSearch: 8 17:11:07 -74.904274 0.001262 LBFGSLineSearch: 9 17:11:07 -74.904276 0.000991 LBFGSLineSearch: 10 17:11:07 -74.904276 0.000938 LBFGSLineSearch: 11 17:11:07 -74.904276 0.000438 LBFGSLineSearch: 12 17:11:07 -74.904277 0.000548 LBFGSLineSearch: 13 17:11:07 -74.904277 0.000213 LBFGSLineSearch: 14 17:11:08 -74.904277 0.000140 LBFGSLineSearch: 15 17:11:08 -74.904277 0.000167 LBFGSLineSearch: 16 17:11:08 -74.904277 0.000141 LBFGSLineSearch: 17 17:11:08 -74.904277 0.000129 LBFGSLineSearch: 18 17:11:08 -74.904277 0.000106 LBFGSLineSearch: 19 17:11:09 -74.904277 0.000064 LBFGSLineSearch: 20 17:11:09 -74.904277 0.000059 LBFGSLineSearch: 21 17:11:09 -74.904277 0.000055 LBFGSLineSearch: 22 17:11:09 -74.904277 0.000020 LBFGSLineSearch: 23 17:11:09 -74.904277 0.000004 Minimization converged after 23 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:14 -75.304162 0.028566 LBFGSLineSearch: 1 17:11:15 -75.304616 0.008404 LBFGSLineSearch: 2 17:11:15 -75.304650 0.006881 LBFGSLineSearch: 3 17:11:15 -75.304670 0.005382 LBFGSLineSearch: 4 17:11:15 -75.304691 0.003786 LBFGSLineSearch: 5 17:11:15 -75.304693 0.003275 LBFGSLineSearch: 6 17:11:15 -75.304695 0.002146 LBFGSLineSearch: 7 17:11:16 -75.304697 0.001630 LBFGSLineSearch: 8 17:11:16 -75.304698 0.001299 LBFGSLineSearch: 9 17:11:16 -75.304700 0.001046 LBFGSLineSearch: 10 17:11:16 -75.304700 0.000956 LBFGSLineSearch: 11 17:11:17 -75.304701 0.000462 LBFGSLineSearch: 12 17:11:18 -75.304701 0.000561 LBFGSLineSearch: 13 17:11:18 -75.304701 0.000325 LBFGSLineSearch: 14 17:11:18 -75.304701 0.000142 LBFGSLineSearch: 15 17:11:19 -75.304701 0.000163 LBFGSLineSearch: 16 17:11:19 -75.304701 0.000161 LBFGSLineSearch: 17 17:11:20 -75.304701 0.000134 LBFGSLineSearch: 18 17:11:21 -75.304701 0.000119 LBFGSLineSearch: 19 17:11:21 -75.304701 0.000104 LBFGSLineSearch: 20 17:11:21 -75.304701 0.000069 LBFGSLineSearch: 21 17:11:22 -75.304701 0.000068 LBFGSLineSearch: 22 17:11:23 -75.304701 0.000064 LBFGSLineSearch: 23 17:11:23 -75.304701 0.000008 Minimization converged after 23 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:29 -75.705668 0.028640 LBFGSLineSearch: 1 17:11:30 -75.706126 0.008641 LBFGSLineSearch: 2 17:11:30 -75.706162 0.006965 LBFGSLineSearch: 3 17:11:30 -75.706183 0.005341 LBFGSLineSearch: 4 17:11:30 -75.706205 0.003959 LBFGSLineSearch: 5 17:11:31 -75.706207 0.003444 LBFGSLineSearch: 6 17:11:31 -75.706210 0.002171 LBFGSLineSearch: 7 17:11:31 -75.706212 0.001630 LBFGSLineSearch: 8 17:11:31 -75.706213 0.001352 LBFGSLineSearch: 9 17:11:31 -75.706215 0.001101 LBFGSLineSearch: 10 17:11:31 -75.706215 0.000898 LBFGSLineSearch: 11 17:11:31 -75.706216 0.000920 LBFGSLineSearch: 12 17:11:32 -75.706216 0.000497 LBFGSLineSearch: 13 17:11:33 -75.706216 0.000580 LBFGSLineSearch: 14 17:11:34 -75.706216 0.000166 LBFGSLineSearch: 15 17:11:34 -75.706216 0.000170 LBFGSLineSearch: 16 17:11:34 -75.706216 0.000143 LBFGSLineSearch: 17 17:11:34 -75.706216 0.000145 LBFGSLineSearch: 18 17:11:34 -75.706216 0.000120 LBFGSLineSearch: 19 17:11:35 -75.706216 0.000101 LBFGSLineSearch: 20 17:11:35 -75.706216 0.000067 LBFGSLineSearch: 21 17:11:35 -75.706216 0.000071 LBFGSLineSearch: 22 17:11:35 -75.706216 0.000010 LBFGSLineSearch: 23 17:11:35 -75.706216 0.000003 Minimization converged after 23 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:41 -76.108284 0.028720 LBFGSLineSearch: 1 17:11:42 -76.108748 0.008869 LBFGSLineSearch: 2 17:11:43 -76.108786 0.007061 LBFGSLineSearch: 3 17:11:43 -76.108808 0.005362 LBFGSLineSearch: 4 17:11:44 -76.108830 0.004097 LBFGSLineSearch: 5 17:11:44 -76.108833 0.003530 LBFGSLineSearch: 6 17:11:46 -76.108836 0.002288 LBFGSLineSearch: 7 17:11:46 -76.108838 0.001629 LBFGSLineSearch: 8 17:11:46 -76.108840 0.001408 LBFGSLineSearch: 9 17:11:48 -76.108841 0.001158 LBFGSLineSearch: 10 17:11:48 -76.108842 0.000890 LBFGSLineSearch: 11 17:11:49 -76.108842 0.000920 LBFGSLineSearch: 12 17:11:49 -76.108842 0.000503 LBFGSLineSearch: 13 17:11:49 -76.108842 0.000606 LBFGSLineSearch: 14 17:11:50 -76.108843 0.000174 LBFGSLineSearch: 15 17:11:50 -76.108843 0.000205 LBFGSLineSearch: 16 17:11:50 -76.108843 0.000141 LBFGSLineSearch: 17 17:11:50 -76.108843 0.000155 LBFGSLineSearch: 18 17:11:50 -76.108843 0.000172 LBFGSLineSearch: 19 17:11:50 -76.108843 0.000121 LBFGSLineSearch: 20 17:11:51 -76.108843 0.000079 LBFGSLineSearch: 21 17:11:51 -76.108843 0.000057 LBFGSLineSearch: 22 17:11:51 -76.108843 0.000017 LBFGSLineSearch: 23 17:11:51 -76.108843 0.000006 Minimization converged after 23 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:11:57 -76.512032 0.028806 LBFGSLineSearch: 1 17:11:58 -76.512501 0.009112 LBFGSLineSearch: 2 17:11:59 -76.512542 0.007159 LBFGSLineSearch: 3 17:11:59 -76.512565 0.005466 LBFGSLineSearch: 4 17:11:59 -76.512588 0.004239 LBFGSLineSearch: 5 17:11:59 -76.512591 0.003595 LBFGSLineSearch: 6 17:12:00 -76.512594 0.002411 LBFGSLineSearch: 7 17:12:00 -76.512597 0.001636 LBFGSLineSearch: 8 17:12:02 -76.512598 0.001417 LBFGSLineSearch: 9 17:12:02 -76.512599 0.001461 LBFGSLineSearch: 10 17:12:03 -76.512600 0.000963 LBFGSLineSearch: 11 17:12:03 -76.512601 0.000736 LBFGSLineSearch: 12 17:12:03 -76.512601 0.000567 LBFGSLineSearch: 13 17:12:03 -76.512601 0.000887 LBFGSLineSearch: 14 17:12:03 -76.512601 0.000594 LBFGSLineSearch: 15 17:12:03 -76.512601 0.000246 LBFGSLineSearch: 16 17:12:04 -76.512601 0.000200 LBFGSLineSearch: 17 17:12:04 -76.512601 0.000242 LBFGSLineSearch: 18 17:12:04 -76.512601 0.000171 LBFGSLineSearch: 19 17:12:04 -76.512601 0.000133 LBFGSLineSearch: 20 17:12:04 -76.512601 0.000079 LBFGSLineSearch: 21 17:12:04 -76.512601 0.000098 LBFGSLineSearch: 22 17:12:04 -76.512601 0.000074 LBFGSLineSearch: 23 17:12:04 -76.512602 0.000003 Minimization converged after 23 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:09 -76.916934 0.028883 LBFGSLineSearch: 1 17:12:11 -76.917408 0.009344 LBFGSLineSearch: 2 17:12:11 -76.917452 0.007254 LBFGSLineSearch: 3 17:12:12 -76.917476 0.005575 LBFGSLineSearch: 4 17:12:12 -76.917500 0.004387 LBFGSLineSearch: 5 17:12:12 -76.917503 0.003658 LBFGSLineSearch: 6 17:12:12 -76.917507 0.002533 LBFGSLineSearch: 7 17:12:12 -76.917509 0.001639 LBFGSLineSearch: 8 17:12:12 -76.917511 0.001665 LBFGSLineSearch: 9 17:12:12 -76.917511 0.001536 LBFGSLineSearch: 10 17:12:13 -76.917513 0.001198 LBFGSLineSearch: 11 17:12:13 -76.917513 0.000957 LBFGSLineSearch: 12 17:12:13 -76.917514 0.000789 LBFGSLineSearch: 13 17:12:13 -76.917514 0.000563 LBFGSLineSearch: 14 17:12:13 -76.917514 0.000624 LBFGSLineSearch: 15 17:12:13 -76.917514 0.000291 LBFGSLineSearch: 16 17:12:13 -76.917514 0.000222 LBFGSLineSearch: 17 17:12:13 -76.917515 0.000245 LBFGSLineSearch: 18 17:12:14 -76.917515 0.000191 LBFGSLineSearch: 19 17:12:14 -76.917515 0.000183 LBFGSLineSearch: 20 17:12:14 -76.917515 0.000137 LBFGSLineSearch: 21 17:12:14 -76.917515 0.000090 LBFGSLineSearch: 22 17:12:15 -76.917515 0.000095 LBFGSLineSearch: 23 17:12:15 -76.917515 0.000082 LBFGSLineSearch: 24 17:12:16 -76.917515 0.000015 LBFGSLineSearch: 25 17:12:16 -76.917515 0.000006 Minimization converged after 25 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:23 -77.323013 0.028967 LBFGSLineSearch: 1 17:12:24 -77.323493 0.009587 LBFGSLineSearch: 2 17:12:24 -77.323540 0.007357 LBFGSLineSearch: 3 17:12:26 -77.323564 0.005687 LBFGSLineSearch: 4 17:12:27 -77.323589 0.004528 LBFGSLineSearch: 5 17:12:27 -77.323592 0.003721 LBFGSLineSearch: 6 17:12:27 -77.323597 0.002671 LBFGSLineSearch: 7 17:12:28 -77.323600 0.001659 LBFGSLineSearch: 8 17:12:29 -77.323601 0.001536 LBFGSLineSearch: 9 17:12:30 -77.323602 0.001482 LBFGSLineSearch: 10 17:12:30 -77.323603 0.001557 LBFGSLineSearch: 11 17:12:30 -77.323604 0.001066 LBFGSLineSearch: 12 17:12:30 -77.323604 0.000864 LBFGSLineSearch: 13 17:12:31 -77.323605 0.000607 LBFGSLineSearch: 14 17:12:31 -77.323605 0.000795 LBFGSLineSearch: 15 17:12:31 -77.323605 0.000683 LBFGSLineSearch: 16 17:12:31 -77.323606 0.000246 LBFGSLineSearch: 17 17:12:31 -77.323606 0.000243 LBFGSLineSearch: 18 17:12:31 -77.323606 0.000286 LBFGSLineSearch: 19 17:12:31 -77.323606 0.000222 LBFGSLineSearch: 20 17:12:31 -77.323606 0.000209 LBFGSLineSearch: 21 17:12:31 -77.323606 0.000192 LBFGSLineSearch: 22 17:12:31 -77.323606 0.000147 LBFGSLineSearch: 23 17:12:31 -77.323606 0.000134 LBFGSLineSearch: 24 17:12:32 -77.323606 0.000104 LBFGSLineSearch: 25 17:12:32 -77.323606 0.000098 LBFGSLineSearch: 26 17:12:32 -77.323606 0.000130 LBFGSLineSearch: 27 17:12:32 -77.323606 0.000081 LBFGSLineSearch: 28 17:12:32 -77.323606 0.000009 Minimization converged after 28 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:39 -77.730294 0.029054 LBFGSLineSearch: 1 17:12:41 -77.730780 0.009833 LBFGSLineSearch: 2 17:12:41 -77.730830 0.007464 LBFGSLineSearch: 3 17:12:41 -77.730855 0.005803 LBFGSLineSearch: 4 17:12:41 -77.730881 0.004672 LBFGSLineSearch: 5 17:12:41 -77.730884 0.003924 LBFGSLineSearch: 6 17:12:41 -77.730887 0.003456 LBFGSLineSearch: 7 17:12:41 -77.730889 0.003225 LBFGSLineSearch: 8 17:12:41 -77.730891 0.002482 LBFGSLineSearch: 9 17:12:41 -77.730893 0.002027 LBFGSLineSearch: 10 17:12:41 -77.730894 0.002153 LBFGSLineSearch: 11 17:12:41 -77.730894 0.002003 LBFGSLineSearch: 12 17:12:42 -77.730895 0.002495 LBFGSLineSearch: 13 17:12:42 -77.730897 0.001261 LBFGSLineSearch: 14 17:12:42 -77.730898 0.001538 LBFGSLineSearch: 15 17:12:42 -77.730898 0.001025 LBFGSLineSearch: 16 17:12:42 -77.730899 0.001046 LBFGSLineSearch: 17 17:12:42 -77.730899 0.000703 LBFGSLineSearch: 18 17:12:42 -77.730899 0.000865 LBFGSLineSearch: 19 17:12:42 -77.730899 0.000453 LBFGSLineSearch: 20 17:12:42 -77.730900 0.000423 LBFGSLineSearch: 21 17:12:43 -77.730900 0.000367 LBFGSLineSearch: 22 17:12:43 -77.730900 0.000334 LBFGSLineSearch: 23 17:12:43 -77.730900 0.000275 LBFGSLineSearch: 24 17:12:43 -77.730900 0.000242 LBFGSLineSearch: 25 17:12:44 -77.730900 0.000229 LBFGSLineSearch: 26 17:12:44 -77.730900 0.000233 LBFGSLineSearch: 27 17:12:44 -77.730900 0.000227 LBFGSLineSearch: 28 17:12:44 -77.730900 0.000126 LBFGSLineSearch: 29 17:12:44 -77.730900 0.000114 LBFGSLineSearch: 30 17:12:44 -77.730900 0.000091 LBFGSLineSearch: 31 17:12:44 -77.730900 0.000162 LBFGSLineSearch: 32 17:12:45 -77.730900 0.000237 LBFGSLineSearch: 33 17:12:45 -77.730900 0.000011 LBFGSLineSearch: 34 17:12:45 -77.730900 0.000002 Minimization converged after 34 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:51 -78.138804 0.029137 LBFGSLineSearch: 1 17:12:53 -78.139296 0.010078 LBFGSLineSearch: 2 17:12:53 -78.139349 0.007578 LBFGSLineSearch: 3 17:12:54 -78.139375 0.005923 LBFGSLineSearch: 4 17:12:54 -78.139403 0.004822 LBFGSLineSearch: 5 17:12:54 -78.139406 0.004085 LBFGSLineSearch: 6 17:12:54 -78.139410 0.003913 LBFGSLineSearch: 7 17:12:54 -78.139414 0.002708 LBFGSLineSearch: 8 17:12:54 -78.139417 0.001796 LBFGSLineSearch: 9 17:12:54 -78.139419 0.001779 LBFGSLineSearch: 10 17:12:54 -78.139420 0.001385 LBFGSLineSearch: 11 17:12:55 -78.139421 0.001408 LBFGSLineSearch: 12 17:12:55 -78.139422 0.001185 LBFGSLineSearch: 13 17:12:56 -78.139422 0.001082 LBFGSLineSearch: 14 17:12:56 -78.139422 0.000776 LBFGSLineSearch: 15 17:12:56 -78.139423 0.000799 LBFGSLineSearch: 16 17:12:56 -78.139423 0.000724 LBFGSLineSearch: 17 17:12:56 -78.139423 0.000310 LBFGSLineSearch: 18 17:12:56 -78.139423 0.000303 LBFGSLineSearch: 19 17:12:56 -78.139423 0.000414 LBFGSLineSearch: 20 17:12:56 -78.139424 0.000280 LBFGSLineSearch: 21 17:12:56 -78.139424 0.000294 LBFGSLineSearch: 22 17:12:56 -78.139424 0.000302 LBFGSLineSearch: 23 17:12:57 -78.139424 0.000170 LBFGSLineSearch: 24 17:12:57 -78.139424 0.000148 LBFGSLineSearch: 25 17:12:57 -78.139424 0.000134 LBFGSLineSearch: 26 17:12:57 -78.139424 0.000111 LBFGSLineSearch: 27 17:12:57 -78.139424 0.000156 LBFGSLineSearch: 28 17:12:57 -78.139424 0.000122 LBFGSLineSearch: 29 17:12:57 -78.139424 0.000015 LBFGSLineSearch: 30 17:12:58 -78.139424 0.000015 LBFGSLineSearch: 31 17:12:58 -78.139424 0.000006 Minimization converged after 31 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:04 -78.548572 0.029228 LBFGSLineSearch: 1 17:13:05 -78.549070 0.010331 LBFGSLineSearch: 2 17:13:06 -78.549126 0.007697 LBFGSLineSearch: 3 17:13:08 -78.549154 0.006050 LBFGSLineSearch: 4 17:13:08 -78.549183 0.004979 LBFGSLineSearch: 5 17:13:08 -78.549186 0.004257 LBFGSLineSearch: 6 17:13:09 -78.549190 0.004039 LBFGSLineSearch: 7 17:13:11 -78.549195 0.002840 LBFGSLineSearch: 8 17:13:11 -78.549198 0.001900 LBFGSLineSearch: 9 17:13:11 -78.549201 0.001888 LBFGSLineSearch: 10 17:13:11 -78.549202 0.001615 LBFGSLineSearch: 11 17:13:11 -78.549203 0.001633 LBFGSLineSearch: 12 17:13:12 -78.549204 0.001365 LBFGSLineSearch: 13 17:13:13 -78.549204 0.001170 LBFGSLineSearch: 14 17:13:13 -78.549204 0.000894 LBFGSLineSearch: 15 17:13:14 -78.549205 0.000977 LBFGSLineSearch: 16 17:13:14 -78.549205 0.000794 LBFGSLineSearch: 17 17:13:14 -78.549206 0.000361 LBFGSLineSearch: 18 17:13:14 -78.549206 0.000350 LBFGSLineSearch: 19 17:13:15 -78.549206 0.000481 LBFGSLineSearch: 20 17:13:15 -78.549206 0.000364 LBFGSLineSearch: 21 17:13:16 -78.549206 0.000359 LBFGSLineSearch: 22 17:13:16 -78.549206 0.000335 LBFGSLineSearch: 23 17:13:16 -78.549206 0.000235 LBFGSLineSearch: 24 17:13:17 -78.549206 0.000163 LBFGSLineSearch: 25 17:13:17 -78.549206 0.000126 LBFGSLineSearch: 26 17:13:17 -78.549206 0.000158 LBFGSLineSearch: 27 17:13:19 -78.549206 0.000021 LBFGSLineSearch: 28 17:13:19 -78.549206 0.000019 LBFGSLineSearch: 29 17:13:20 -78.549206 0.000004 Minimization converged after 29 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:26 -78.959629 0.029317 LBFGSLineSearch: 1 17:13:27 -78.960132 0.010581 LBFGSLineSearch: 2 17:13:28 -78.960192 0.007826 LBFGSLineSearch: 3 17:13:29 -78.960221 0.006187 LBFGSLineSearch: 4 17:13:30 -78.960252 0.005157 LBFGSLineSearch: 5 17:13:30 -78.960256 0.004450 LBFGSLineSearch: 6 17:13:31 -78.960260 0.004166 LBFGSLineSearch: 7 17:13:32 -78.960266 0.002985 LBFGSLineSearch: 8 17:13:32 -78.960269 0.002030 LBFGSLineSearch: 9 17:13:32 -78.960272 0.002012 LBFGSLineSearch: 10 17:13:32 -78.960274 0.001903 LBFGSLineSearch: 11 17:13:32 -78.960275 0.001908 LBFGSLineSearch: 12 17:13:33 -78.960276 0.001580 LBFGSLineSearch: 13 17:13:33 -78.960276 0.001260 LBFGSLineSearch: 14 17:13:33 -78.960277 0.001035 LBFGSLineSearch: 15 17:13:34 -78.960277 0.001163 LBFGSLineSearch: 16 17:13:34 -78.960278 0.000886 LBFGSLineSearch: 17 17:13:35 -78.960278 0.000456 LBFGSLineSearch: 18 17:13:35 -78.960278 0.000409 LBFGSLineSearch: 19 17:13:36 -78.960279 0.000587 LBFGSLineSearch: 20 17:13:37 -78.960279 0.000438 LBFGSLineSearch: 21 17:13:37 -78.960279 0.000440 LBFGSLineSearch: 22 17:13:37 -78.960279 0.000426 LBFGSLineSearch: 23 17:13:37 -78.960279 0.000190 LBFGSLineSearch: 24 17:13:37 -78.960279 0.000162 LBFGSLineSearch: 25 17:13:38 -78.960279 0.000202 LBFGSLineSearch: 26 17:13:38 -78.960279 0.000030 LBFGSLineSearch: 27 17:13:38 -78.960279 0.000025 LBFGSLineSearch: 28 17:13:38 -78.960279 0.000025 LBFGSLineSearch: 29 17:13:38 -78.960279 0.000000 Minimization converged after 29 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:13:44 -79.372009 0.029409 LBFGSLineSearch: 1 17:13:44 -79.372519 0.010843 LBFGSLineSearch: 2 17:13:44 -79.372583 0.007961 LBFGSLineSearch: 3 17:13:45 -79.372613 0.006322 LBFGSLineSearch: 4 17:13:45 -79.372645 0.005334 LBFGSLineSearch: 5 17:13:45 -79.372650 0.004647 LBFGSLineSearch: 6 17:13:45 -79.372653 0.003778 LBFGSLineSearch: 7 17:13:45 -79.372658 0.003627 LBFGSLineSearch: 8 17:13:45 -79.372663 0.003217 LBFGSLineSearch: 9 17:13:45 -79.372666 0.002317 LBFGSLineSearch: 10 17:13:46 -79.372669 0.002046 LBFGSLineSearch: 11 17:13:46 -79.372671 0.002197 LBFGSLineSearch: 12 17:13:46 -79.372673 0.002112 LBFGSLineSearch: 13 17:13:47 -79.372673 0.001773 LBFGSLineSearch: 14 17:13:47 -79.372674 0.001232 LBFGSLineSearch: 15 17:13:47 -79.372675 0.001146 LBFGSLineSearch: 16 17:13:48 -79.372676 0.001123 LBFGSLineSearch: 17 17:13:48 -79.372676 0.000788 LBFGSLineSearch: 18 17:13:48 -79.372676 0.000776 LBFGSLineSearch: 19 17:13:49 -79.372677 0.000645 LBFGSLineSearch: 20 17:13:49 -79.372677 0.000511 LBFGSLineSearch: 21 17:13:50 -79.372677 0.000507 LBFGSLineSearch: 22 17:13:50 -79.372678 0.000542 LBFGSLineSearch: 23 17:13:51 -79.372678 0.000553 LBFGSLineSearch: 24 17:13:52 -79.372678 0.000293 LBFGSLineSearch: 25 17:13:52 -79.372678 0.000206 LBFGSLineSearch: 26 17:13:53 -79.372678 0.000173 LBFGSLineSearch: 27 17:13:54 -79.372678 0.000221 LBFGSLineSearch: 28 17:13:54 -79.372678 0.000032 LBFGSLineSearch: 29 17:13:54 -79.372678 0.000033 LBFGSLineSearch: 30 17:13:54 -79.372678 0.000001 Minimization converged after 30 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:01 -79.785753 0.029506 LBFGSLineSearch: 1 17:14:01 -79.786269 0.011105 LBFGSLineSearch: 2 17:14:01 -79.786337 0.008107 LBFGSLineSearch: 3 17:14:01 -79.786369 0.006470 LBFGSLineSearch: 4 17:14:02 -79.786403 0.005539 LBFGSLineSearch: 5 17:14:03 -79.786408 0.004872 LBFGSLineSearch: 6 17:14:04 -79.786412 0.003871 LBFGSLineSearch: 7 17:14:04 -79.786418 0.003793 LBFGSLineSearch: 8 17:14:05 -79.786423 0.003427 LBFGSLineSearch: 9 17:14:05 -79.786427 0.002517 LBFGSLineSearch: 10 17:14:06 -79.786431 0.002208 LBFGSLineSearch: 11 17:14:07 -79.786434 0.002655 LBFGSLineSearch: 12 17:14:08 -79.786435 0.002530 LBFGSLineSearch: 13 17:14:08 -79.786436 0.002075 LBFGSLineSearch: 14 17:14:09 -79.786437 0.001443 LBFGSLineSearch: 15 17:14:09 -79.786438 0.001346 LBFGSLineSearch: 16 17:14:09 -79.786440 0.001262 LBFGSLineSearch: 17 17:14:09 -79.786440 0.000891 LBFGSLineSearch: 18 17:14:09 -79.786441 0.000890 LBFGSLineSearch: 19 17:14:09 -79.786441 0.000846 LBFGSLineSearch: 20 17:14:10 -79.786441 0.000660 LBFGSLineSearch: 21 17:14:10 -79.786442 0.000648 LBFGSLineSearch: 22 17:14:10 -79.786442 0.000679 LBFGSLineSearch: 23 17:14:10 -79.786442 0.000694 LBFGSLineSearch: 24 17:14:12 -79.786443 0.000397 LBFGSLineSearch: 25 17:14:12 -79.786443 0.000248 LBFGSLineSearch: 26 17:14:12 -79.786443 0.000174 LBFGSLineSearch: 27 17:14:13 -79.786443 0.000266 LBFGSLineSearch: 28 17:14:14 -79.786443 0.000045 LBFGSLineSearch: 29 17:14:14 -79.786443 0.000045 LBFGSLineSearch: 30 17:14:14 -79.786443 0.000011 LBFGSLineSearch: 31 17:14:14 -79.786443 0.000000 Minimization converged after 31 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:20 -80.200906 0.029605 LBFGSLineSearch: 1 17:14:21 -80.201429 0.011371 LBFGSLineSearch: 2 17:14:21 -80.201502 0.008266 LBFGSLineSearch: 3 17:14:22 -80.201535 0.006625 LBFGSLineSearch: 4 17:14:22 -80.201572 0.005765 LBFGSLineSearch: 5 17:14:22 -80.201578 0.005119 LBFGSLineSearch: 6 17:14:22 -80.201582 0.004062 LBFGSLineSearch: 7 17:14:22 -80.201588 0.003987 LBFGSLineSearch: 8 17:14:22 -80.201595 0.003661 LBFGSLineSearch: 9 17:14:22 -80.201599 0.002778 LBFGSLineSearch: 10 17:14:22 -80.201605 0.002411 LBFGSLineSearch: 11 17:14:23 -80.201608 0.003257 LBFGSLineSearch: 12 17:14:23 -80.201611 0.002808 LBFGSLineSearch: 13 17:14:23 -80.201612 0.001931 LBFGSLineSearch: 14 17:14:23 -80.201613 0.001778 LBFGSLineSearch: 15 17:14:23 -80.201614 0.001657 LBFGSLineSearch: 16 17:14:23 -80.201615 0.002292 LBFGSLineSearch: 17 17:14:23 -80.201618 0.001276 LBFGSLineSearch: 18 17:14:23 -80.201619 0.000877 LBFGSLineSearch: 19 17:14:24 -80.201619 0.000897 LBFGSLineSearch: 20 17:14:24 -80.201619 0.001369 LBFGSLineSearch: 21 17:14:24 -80.201621 0.000893 LBFGSLineSearch: 22 17:14:24 -80.201621 0.000823 LBFGSLineSearch: 23 17:14:25 -80.201622 0.000328 LBFGSLineSearch: 24 17:14:25 -80.201622 0.000317 LBFGSLineSearch: 25 17:14:25 -80.201622 0.000292 LBFGSLineSearch: 26 17:14:26 -80.201622 0.000311 LBFGSLineSearch: 27 17:14:26 -80.201622 0.000476 LBFGSLineSearch: 28 17:14:27 -80.201622 0.000084 LBFGSLineSearch: 29 17:14:27 -80.201622 0.000066 LBFGSLineSearch: 30 17:14:28 -80.201622 0.000058 LBFGSLineSearch: 31 17:14:28 -80.201622 0.000008 Minimization converged after 31 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:33 -80.617527 0.029709 LBFGSLineSearch: 1 17:14:35 -80.618056 0.011639 LBFGSLineSearch: 2 17:14:35 -80.618134 0.008441 LBFGSLineSearch: 3 17:14:36 -80.618168 0.006796 LBFGSLineSearch: 4 17:14:38 -80.618209 0.006035 LBFGSLineSearch: 5 17:14:38 -80.618215 0.005408 LBFGSLineSearch: 6 17:14:38 -80.618220 0.004353 LBFGSLineSearch: 7 17:14:39 -80.618227 0.004214 LBFGSLineSearch: 8 17:14:40 -80.618236 0.003932 LBFGSLineSearch: 9 17:14:40 -80.618241 0.003110 LBFGSLineSearch: 10 17:14:41 -80.618249 0.002676 LBFGSLineSearch: 11 17:14:42 -80.618252 0.004045 LBFGSLineSearch: 12 17:14:43 -80.618257 0.003096 LBFGSLineSearch: 13 17:14:43 -80.618258 0.001933 LBFGSLineSearch: 14 17:14:44 -80.618261 0.002249 LBFGSLineSearch: 15 17:14:44 -80.618265 0.002441 LBFGSLineSearch: 16 17:14:44 -80.618266 0.001519 LBFGSLineSearch: 17 17:14:44 -80.618267 0.001475 LBFGSLineSearch: 18 17:14:44 -80.618268 0.001315 LBFGSLineSearch: 19 17:14:44 -80.618269 0.001279 LBFGSLineSearch: 20 17:14:45 -80.618272 0.001083 LBFGSLineSearch: 21 17:14:45 -80.618272 0.001182 LBFGSLineSearch: 22 17:14:47 -80.618273 0.000468 LBFGSLineSearch: 23 17:14:47 -80.618273 0.000451 LBFGSLineSearch: 24 17:14:48 -80.618274 0.000417 LBFGSLineSearch: 25 17:14:48 -80.618274 0.000422 LBFGSLineSearch: 26 17:14:48 -80.618274 0.000581 LBFGSLineSearch: 27 17:14:49 -80.618274 0.000209 LBFGSLineSearch: 28 17:14:49 -80.618274 0.000083 LBFGSLineSearch: 29 17:14:49 -80.618274 0.000088 LBFGSLineSearch: 30 17:14:49 -80.618274 0.000105 LBFGSLineSearch: 31 17:14:50 -80.618274 0.000000 Minimization converged after 31 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:14:56 -81.035687 0.029815 LBFGSLineSearch: 1 17:14:57 -81.036224 0.011915 LBFGSLineSearch: 2 17:14:57 -81.036306 0.008631 LBFGSLineSearch: 3 17:14:59 -81.036343 0.006976 LBFGSLineSearch: 4 17:15:00 -81.036387 0.006316 LBFGSLineSearch: 5 17:15:01 -81.036394 0.005712 LBFGSLineSearch: 6 17:15:01 -81.036400 0.004667 LBFGSLineSearch: 7 17:15:01 -81.036408 0.004510 LBFGSLineSearch: 8 17:15:01 -81.036419 0.004297 LBFGSLineSearch: 9 17:15:01 -81.036426 0.003511 LBFGSLineSearch: 10 17:15:02 -81.036436 0.003032 LBFGSLineSearch: 11 17:15:02 -81.036440 0.004918 LBFGSLineSearch: 12 17:15:02 -81.036448 0.003489 LBFGSLineSearch: 13 17:15:03 -81.036453 0.002728 LBFGSLineSearch: 14 17:15:03 -81.036455 0.002658 LBFGSLineSearch: 15 17:15:03 -81.036463 0.001969 LBFGSLineSearch: 16 17:15:03 -81.036464 0.001938 LBFGSLineSearch: 17 17:15:03 -81.036466 0.001735 LBFGSLineSearch: 18 17:15:03 -81.036467 0.001967 LBFGSLineSearch: 19 17:15:04 -81.036472 0.001538 LBFGSLineSearch: 20 17:15:04 -81.036473 0.001776 LBFGSLineSearch: 21 17:15:04 -81.036475 0.000702 LBFGSLineSearch: 22 17:15:04 -81.036475 0.000714 LBFGSLineSearch: 23 17:15:05 -81.036476 0.000828 LBFGSLineSearch: 24 17:15:06 -81.036476 0.000758 LBFGSLineSearch: 25 17:15:07 -81.036477 0.000102 LBFGSLineSearch: 26 17:15:09 -81.036477 0.000097 LBFGSLineSearch: 27 17:15:10 -81.036477 0.000027 LBFGSLineSearch: 28 17:15:10 -81.036477 0.000001 Minimization converged after 28 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:16 -81.455489 0.029930 LBFGSLineSearch: 1 17:15:19 -81.456033 0.012195 LBFGSLineSearch: 2 17:15:19 -81.456121 0.008846 LBFGSLineSearch: 3 17:15:20 -81.456160 0.007178 LBFGSLineSearch: 4 17:15:20 -81.456198 0.005808 LBFGSLineSearch: 5 17:15:20 -81.456218 0.006070 LBFGSLineSearch: 6 17:15:21 -81.456226 0.005489 LBFGSLineSearch: 7 17:15:22 -81.456242 0.005307 LBFGSLineSearch: 8 17:15:22 -81.456253 0.004276 LBFGSLineSearch: 9 17:15:23 -81.456258 0.003810 LBFGSLineSearch: 10 17:15:23 -81.456272 0.004123 LBFGSLineSearch: 11 17:15:23 -81.456284 0.005253 LBFGSLineSearch: 12 17:15:23 -81.456287 0.004471 LBFGSLineSearch: 13 17:15:24 -81.456289 0.003543 LBFGSLineSearch: 14 17:15:26 -81.456299 0.003066 LBFGSLineSearch: 15 17:15:27 -81.456315 0.001997 LBFGSLineSearch: 16 17:15:27 -81.456317 0.002710 LBFGSLineSearch: 17 17:15:27 -81.456323 0.002905 LBFGSLineSearch: 18 17:15:28 -81.456325 0.003613 LBFGSLineSearch: 19 17:15:28 -81.456328 0.002138 LBFGSLineSearch: 20 17:15:29 -81.456335 0.001308 LBFGSLineSearch: 21 17:15:29 -81.456335 0.001212 LBFGSLineSearch: 22 17:15:29 -81.456336 0.001047 LBFGSLineSearch: 23 17:15:29 -81.456338 0.002249 LBFGSLineSearch: 24 17:15:30 -81.456338 0.001507 LBFGSLineSearch: 25 17:15:31 -81.456342 0.000520 LBFGSLineSearch: 26 17:15:31 -81.456342 0.000039 LBFGSLineSearch: 27 17:15:31 -81.456342 0.000052 LBFGSLineSearch: 28 17:15:31 -81.456342 0.000029 LBFGSLineSearch: 29 17:15:31 -81.456342 0.000006 Minimization converged after 29 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:36 -81.877088 0.030057 LBFGSLineSearch: 1 17:15:37 -81.877640 0.012485 LBFGSLineSearch: 2 17:15:38 -81.877734 0.009094 LBFGSLineSearch: 3 17:15:39 -81.877776 0.007405 LBFGSLineSearch: 4 17:15:40 -81.877830 0.007017 LBFGSLineSearch: 5 17:15:41 -81.877844 0.005996 LBFGSLineSearch: 6 17:15:42 -81.877863 0.004306 LBFGSLineSearch: 7 17:15:43 -81.877873 0.005457 LBFGSLineSearch: 8 17:15:44 -81.877883 0.005333 LBFGSLineSearch: 9 17:15:44 -81.877892 0.004688 LBFGSLineSearch: 10 17:15:44 -81.877911 0.005147 LBFGSLineSearch: 11 17:15:44 -81.877926 0.005207 LBFGSLineSearch: 12 17:15:44 -81.877932 0.005111 LBFGSLineSearch: 13 17:15:45 -81.877935 0.005001 LBFGSLineSearch: 14 17:15:45 -81.877938 0.004589 LBFGSLineSearch: 15 17:15:45 -81.877951 0.004035 LBFGSLineSearch: 16 17:15:46 -81.877957 0.005351 LBFGSLineSearch: 17 17:15:46 -81.877974 0.003405 LBFGSLineSearch: 18 17:15:47 -81.877983 0.002723 LBFGSLineSearch: 19 17:15:47 -81.877987 0.002604 LBFGSLineSearch: 20 17:15:48 -81.877997 0.003318 LBFGSLineSearch: 21 17:15:48 -81.878000 0.003193 LBFGSLineSearch: 22 17:15:50 -81.878001 0.003107 LBFGSLineSearch: 23 17:15:51 -81.878003 0.002906 LBFGSLineSearch: 24 17:15:53 -81.878017 0.002091 LBFGSLineSearch: 25 17:15:54 -81.878023 0.001798 LBFGSLineSearch: 26 17:15:55 -81.878036 0.001172 LBFGSLineSearch: 27 17:15:56 -81.878037 0.000365 LBFGSLineSearch: 28 17:15:56 -81.878037 0.000228 LBFGSLineSearch: 29 17:15:56 -81.878037 0.000130 LBFGSLineSearch: 30 17:15:56 -81.878037 0.000164 LBFGSLineSearch: 31 17:15:56 -81.878037 0.000096 LBFGSLineSearch: 32 17:15:56 -81.878037 0.000004 Minimization converged after 32 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:03 -82.300720 0.030193 LBFGSLineSearch: 1 17:16:04 -82.301280 0.012773 LBFGSLineSearch: 2 17:16:04 -82.301381 0.009382 LBFGSLineSearch: 3 17:16:04 -82.301426 0.007658 LBFGSLineSearch: 4 17:16:04 -82.301487 0.007331 LBFGSLineSearch: 5 17:16:04 -82.301504 0.006345 LBFGSLineSearch: 6 17:16:04 -82.301528 0.004644 LBFGSLineSearch: 7 17:16:04 -82.301542 0.005963 LBFGSLineSearch: 8 17:16:04 -82.301555 0.006528 LBFGSLineSearch: 9 17:16:04 -82.301567 0.005300 LBFGSLineSearch: 10 17:16:04 -82.301589 0.005946 LBFGSLineSearch: 11 17:16:04 -82.301609 0.005438 LBFGSLineSearch: 12 17:16:05 -82.301617 0.005635 LBFGSLineSearch: 13 17:16:05 -82.301621 0.005707 LBFGSLineSearch: 14 17:16:05 -82.301626 0.005563 LBFGSLineSearch: 15 17:16:05 -82.301639 0.005258 LBFGSLineSearch: 16 17:16:05 -82.301668 0.004131 LBFGSLineSearch: 17 17:16:05 -82.301682 0.004895 LBFGSLineSearch: 18 17:16:05 -82.301687 0.003144 LBFGSLineSearch: 19 17:16:05 -82.301690 0.004872 LBFGSLineSearch: 20 17:16:05 -82.301722 0.004786 LBFGSLineSearch: 21 17:16:05 -82.301747 0.003346 LBFGSLineSearch: 22 17:16:05 -82.301759 0.003288 LBFGSLineSearch: 23 17:16:05 -82.301761 0.003325 LBFGSLineSearch: 24 17:16:05 -82.301764 0.003251 LBFGSLineSearch: 25 17:16:05 -82.301776 0.003272 LBFGSLineSearch: 26 17:16:06 -82.301781 0.003463 LBFGSLineSearch: 27 17:16:06 -82.301786 0.005203 LBFGSLineSearch: 28 17:16:06 -82.301807 0.001752 LBFGSLineSearch: 29 17:16:06 -82.301810 0.000548 LBFGSLineSearch: 30 17:16:06 -82.301810 0.000595 LBFGSLineSearch: 31 17:16:06 -82.301811 0.000286 LBFGSLineSearch: 32 17:16:07 -82.301811 0.000012 LBFGSLineSearch: 33 17:16:08 -82.301811 0.000004 Minimization converged after 33 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:14 -82.726747 0.030352 LBFGSLineSearch: 1 17:16:15 -82.727317 0.013063 LBFGSLineSearch: 2 17:16:15 -82.727424 0.009726 LBFGSLineSearch: 3 17:16:16 -82.727473 0.008511 LBFGSLineSearch: 4 17:16:16 -82.727544 0.007945 LBFGSLineSearch: 5 17:16:17 -82.727564 0.006518 LBFGSLineSearch: 6 17:16:18 -82.727604 0.007755 LBFGSLineSearch: 7 17:16:19 -82.727635 0.004657 LBFGSLineSearch: 8 17:16:20 -82.727643 0.006782 LBFGSLineSearch: 9 17:16:21 -82.727662 0.005872 LBFGSLineSearch: 10 17:16:22 -82.727675 0.007695 LBFGSLineSearch: 11 17:16:24 -82.727701 0.006636 LBFGSLineSearch: 12 17:16:25 -82.727707 0.005730 LBFGSLineSearch: 13 17:16:26 -82.727724 0.005643 LBFGSLineSearch: 14 17:16:26 -82.727731 0.006931 LBFGSLineSearch: 15 17:16:27 -82.727765 0.004886 LBFGSLineSearch: 16 17:16:28 -82.727773 0.005116 LBFGSLineSearch: 17 17:16:28 -82.727786 0.007099 LBFGSLineSearch: 18 17:16:29 -82.727814 0.004990 LBFGSLineSearch: 19 17:16:30 -82.727913 0.007483 LBFGSLineSearch: 20 17:16:31 -82.727919 0.007949 LBFGSLineSearch: 21 17:16:32 -82.727930 0.008974 LBFGSLineSearch: 22 17:16:33 -82.728007 0.005306 LBFGSLineSearch: 23 17:16:35 -82.728015 0.004195 LBFGSLineSearch: 24 17:16:37 -82.728045 0.005014 LBFGSLineSearch: 25 17:16:37 -82.728055 0.005765 LBFGSLineSearch: 26 17:16:39 -82.728137 0.002232 LBFGSLineSearch: 27 17:16:39 -82.728149 0.000731 LBFGSLineSearch: 28 17:16:39 -82.728149 0.000759 LBFGSLineSearch: 29 17:16:39 -82.728149 0.000796 LBFGSLineSearch: 30 17:16:39 -82.728150 0.000274 LBFGSLineSearch: 31 17:16:39 -82.728150 0.000004 Minimization converged after 31 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:16:45 -83.156069 0.030566 LBFGSLineSearch: 1 17:16:47 -83.156649 0.013341 LBFGSLineSearch: 2 17:16:47 -83.156764 0.010158 LBFGSLineSearch: 3 17:16:49 -83.156819 0.009494 LBFGSLineSearch: 4 17:16:49 -83.156899 0.008648 LBFGSLineSearch: 5 17:16:50 -83.156924 0.006290 LBFGSLineSearch: 6 17:16:51 -83.156962 0.005944 LBFGSLineSearch: 7 17:16:51 -83.156982 0.009089 LBFGSLineSearch: 8 17:16:52 -83.157001 0.009782 LBFGSLineSearch: 9 17:16:53 -83.157020 0.005565 LBFGSLineSearch: 10 17:16:53 -83.157034 0.005994 LBFGSLineSearch: 11 17:16:54 -83.157042 0.008443 LBFGSLineSearch: 12 17:16:55 -83.157086 0.006839 LBFGSLineSearch: 13 17:16:56 -83.157115 0.007435 LBFGSLineSearch: 14 17:16:56 -83.157124 0.006218 LBFGSLineSearch: 15 17:16:57 -83.157135 0.006371 LBFGSLineSearch: 16 17:16:58 -83.157226 0.008988 LBFGSLineSearch: 17 17:16:59 -83.157274 0.006327 LBFGSLineSearch: 18 17:17:00 -83.157330 0.007014 LBFGSLineSearch: 19 17:17:00 -83.157361 0.009473 LBFGSLineSearch: 20 17:17:01 -83.157397 0.011978 LBFGSLineSearch: 21 17:17:03 -83.157614 0.008651 LBFGSLineSearch: 22 17:17:04 -83.157626 0.009417 LBFGSLineSearch: 23 17:17:04 -83.157637 0.009346 LBFGSLineSearch: 24 17:17:06 -83.157734 0.008125 LBFGSLineSearch: 25 17:17:07 -83.157743 0.008794 LBFGSLineSearch: 26 17:17:07 -83.157763 0.006240 LBFGSLineSearch: 27 17:17:08 -83.157795 0.004776 LBFGSLineSearch: 28 17:17:08 -83.157801 0.003944 LBFGSLineSearch: 29 17:17:08 -83.157828 0.001473 LBFGSLineSearch: 30 17:17:09 -83.157828 0.001519 LBFGSLineSearch: 31 17:17:09 -83.157829 0.001356 LBFGSLineSearch: 32 17:17:09 -83.157831 0.000117 LBFGSLineSearch: 33 17:17:09 -83.157831 0.000009 Minimization converged after 33 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:16 -83.589196 0.030814 LBFGSLineSearch: 1 17:17:16 -83.589789 0.013609 LBFGSLineSearch: 2 17:17:17 -83.589912 0.010596 LBFGSLineSearch: 3 17:17:18 -83.589970 0.010012 LBFGSLineSearch: 4 17:17:19 -83.590055 0.009225 LBFGSLineSearch: 5 17:17:20 -83.590083 0.006831 LBFGSLineSearch: 6 17:17:20 -83.590125 0.006969 LBFGSLineSearch: 7 17:17:21 -83.590143 0.011981 LBFGSLineSearch: 8 17:17:22 -83.590174 0.005997 LBFGSLineSearch: 9 17:17:23 -83.590186 0.005962 LBFGSLineSearch: 10 17:17:25 -83.590204 0.006872 LBFGSLineSearch: 11 17:17:25 -83.590245 0.007086 LBFGSLineSearch: 12 17:17:26 -83.590304 0.006388 LBFGSLineSearch: 13 17:17:26 -83.590322 0.006274 LBFGSLineSearch: 14 17:17:27 -83.590389 0.009795 LBFGSLineSearch: 15 17:17:27 -83.590416 0.007298 LBFGSLineSearch: 16 17:17:27 -83.590432 0.006414 LBFGSLineSearch: 17 17:17:27 -83.590455 0.006861 LBFGSLineSearch: 18 17:17:29 -83.590492 0.008202 LBFGSLineSearch: 19 17:17:30 -83.590568 0.007724 LBFGSLineSearch: 20 17:17:30 -83.590578 0.006272 LBFGSLineSearch: 21 17:17:30 -83.590584 0.004910 LBFGSLineSearch: 22 17:17:31 -83.590627 0.002895 LBFGSLineSearch: 23 17:17:31 -83.590630 0.001976 LBFGSLineSearch: 24 17:17:31 -83.590631 0.001524 LBFGSLineSearch: 25 17:17:31 -83.590634 0.001526 LBFGSLineSearch: 26 17:17:32 -83.590635 0.001024 LBFGSLineSearch: 27 17:17:32 -83.590635 0.000721 LBFGSLineSearch: 28 17:17:32 -83.590635 0.000719 LBFGSLineSearch: 29 17:17:32 -83.590635 0.000674 LBFGSLineSearch: 30 17:17:32 -83.590636 0.000234 LBFGSLineSearch: 31 17:17:32 -83.590636 0.000038 LBFGSLineSearch: 32 17:17:32 -83.590636 0.000001 Minimization converged after 32 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:38 -84.024812 0.031013 LBFGSLineSearch: 1 17:17:39 -84.025417 0.013902 LBFGSLineSearch: 2 17:17:39 -84.025548 0.010965 LBFGSLineSearch: 3 17:17:40 -84.025608 0.010098 LBFGSLineSearch: 4 17:17:40 -84.025693 0.009490 LBFGSLineSearch: 5 17:17:40 -84.025721 0.007080 LBFGSLineSearch: 6 17:17:41 -84.025763 0.007681 LBFGSLineSearch: 7 17:17:41 -84.025781 0.011425 LBFGSLineSearch: 8 17:17:41 -84.025807 0.005863 LBFGSLineSearch: 9 17:17:41 -84.025818 0.005427 LBFGSLineSearch: 10 17:17:42 -84.025844 0.005593 LBFGSLineSearch: 11 17:17:42 -84.025871 0.006390 LBFGSLineSearch: 12 17:17:42 -84.025890 0.007672 LBFGSLineSearch: 13 17:17:42 -84.025940 0.006438 LBFGSLineSearch: 14 17:17:43 -84.025984 0.005724 LBFGSLineSearch: 15 17:17:43 -84.026002 0.005911 LBFGSLineSearch: 16 17:17:43 -84.026007 0.006071 LBFGSLineSearch: 17 17:17:43 -84.026063 0.005731 LBFGSLineSearch: 18 17:17:44 -84.026070 0.005053 LBFGSLineSearch: 19 17:17:45 -84.026083 0.003404 LBFGSLineSearch: 20 17:17:45 -84.026085 0.003272 LBFGSLineSearch: 21 17:17:45 -84.026089 0.003944 LBFGSLineSearch: 22 17:17:45 -84.026100 0.002405 LBFGSLineSearch: 23 17:17:45 -84.026101 0.001663 LBFGSLineSearch: 24 17:17:45 -84.026103 0.000591 LBFGSLineSearch: 25 17:17:47 -84.026103 0.000379 LBFGSLineSearch: 26 17:17:47 -84.026104 0.000364 LBFGSLineSearch: 27 17:17:48 -84.026104 0.000345 LBFGSLineSearch: 28 17:17:48 -84.026104 0.000261 LBFGSLineSearch: 29 17:17:48 -84.026104 0.000051 LBFGSLineSearch: 30 17:17:48 -84.026104 0.000022 LBFGSLineSearch: 31 17:17:48 -84.026104 0.000000 Minimization converged after 31 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:54 -84.462839 0.031195 LBFGSLineSearch: 1 17:17:56 -84.463455 0.014218 LBFGSLineSearch: 2 17:17:56 -84.463594 0.011313 LBFGSLineSearch: 3 17:17:56 -84.463656 0.010145 LBFGSLineSearch: 4 17:17:57 -84.463741 0.010196 LBFGSLineSearch: 5 17:17:58 -84.463771 0.007143 LBFGSLineSearch: 6 17:17:59 -84.463812 0.008203 LBFGSLineSearch: 7 17:17:59 -84.463838 0.008529 LBFGSLineSearch: 8 17:18:00 -84.463850 0.004873 LBFGSLineSearch: 9 17:18:00 -84.463858 0.004760 LBFGSLineSearch: 10 17:18:01 -84.463863 0.005166 LBFGSLineSearch: 11 17:18:02 -84.463869 0.005016 LBFGSLineSearch: 12 17:18:03 -84.463918 0.005839 LBFGSLineSearch: 13 17:18:04 -84.463937 0.007551 LBFGSLineSearch: 14 17:18:04 -84.463973 0.006287 LBFGSLineSearch: 15 17:18:04 -84.463976 0.005965 LBFGSLineSearch: 16 17:18:04 -84.463983 0.005217 LBFGSLineSearch: 17 17:18:05 -84.464005 0.005200 LBFGSLineSearch: 18 17:18:05 -84.464010 0.005278 LBFGSLineSearch: 19 17:18:05 -84.464017 0.005248 LBFGSLineSearch: 20 17:18:05 -84.464033 0.005080 LBFGSLineSearch: 21 17:18:06 -84.464070 0.002009 LBFGSLineSearch: 22 17:18:07 -84.464071 0.001893 LBFGSLineSearch: 23 17:18:07 -84.464073 0.001807 LBFGSLineSearch: 24 17:18:07 -84.464075 0.001408 LBFGSLineSearch: 25 17:18:07 -84.464076 0.000249 LBFGSLineSearch: 26 17:18:08 -84.464076 0.000252 LBFGSLineSearch: 27 17:18:08 -84.464076 0.000276 LBFGSLineSearch: 28 17:18:08 -84.464076 0.000255 LBFGSLineSearch: 29 17:18:08 -84.464076 0.000225 LBFGSLineSearch: 30 17:18:08 -84.464076 0.000206 LBFGSLineSearch: 31 17:18:08 -84.464076 0.000161 LBFGSLineSearch: 32 17:18:09 -84.464076 0.000028 LBFGSLineSearch: 33 17:18:09 -84.464076 0.000000 Minimization converged after 33 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:15 -84.903276 0.031372 LBFGSLineSearch: 1 17:18:16 -84.903902 0.014548 LBFGSLineSearch: 2 17:18:16 -84.904051 0.011665 LBFGSLineSearch: 3 17:18:17 -84.904116 0.010197 LBFGSLineSearch: 4 17:18:17 -84.904201 0.010862 LBFGSLineSearch: 5 17:18:17 -84.904232 0.007150 LBFGSLineSearch: 6 17:18:17 -84.904272 0.008573 LBFGSLineSearch: 7 17:18:18 -84.904301 0.004930 LBFGSLineSearch: 8 17:18:19 -84.904312 0.005501 LBFGSLineSearch: 9 17:18:19 -84.904320 0.004840 LBFGSLineSearch: 10 17:18:20 -84.904326 0.004713 LBFGSLineSearch: 11 17:18:21 -84.904366 0.005669 LBFGSLineSearch: 12 17:18:23 -84.904408 0.005566 LBFGSLineSearch: 13 17:18:24 -84.904416 0.005356 LBFGSLineSearch: 14 17:18:24 -84.904419 0.005272 LBFGSLineSearch: 15 17:18:25 -84.904432 0.005178 LBFGSLineSearch: 16 17:18:25 -84.904436 0.005061 LBFGSLineSearch: 17 17:18:25 -84.904442 0.006353 LBFGSLineSearch: 18 17:18:25 -84.904456 0.003981 LBFGSLineSearch: 19 17:18:25 -84.904489 0.002325 LBFGSLineSearch: 20 17:18:26 -84.904490 0.002062 LBFGSLineSearch: 21 17:18:26 -84.904491 0.001714 LBFGSLineSearch: 22 17:18:27 -84.904493 0.000357 LBFGSLineSearch: 23 17:18:27 -84.904493 0.000261 LBFGSLineSearch: 24 17:18:27 -84.904493 0.000208 LBFGSLineSearch: 25 17:18:28 -84.904493 0.000237 LBFGSLineSearch: 26 17:18:28 -84.904493 0.000044 LBFGSLineSearch: 27 17:18:28 -84.904493 0.000052 LBFGSLineSearch: 28 17:18:28 -84.904493 0.000001 Minimization converged after 28 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:18:35 -85.346124 0.031546 LBFGSLineSearch: 1 17:18:37 -85.346761 0.014892 LBFGSLineSearch: 2 17:18:37 -85.346920 0.012031 LBFGSLineSearch: 3 17:18:38 -85.346987 0.010264 LBFGSLineSearch: 4 17:18:39 -85.347074 0.011513 LBFGSLineSearch: 5 17:18:39 -85.347106 0.007138 LBFGSLineSearch: 6 17:18:39 -85.347146 0.008128 LBFGSLineSearch: 7 17:18:40 -85.347174 0.005037 LBFGSLineSearch: 8 17:18:41 -85.347186 0.005689 LBFGSLineSearch: 9 17:18:42 -85.347194 0.004611 LBFGSLineSearch: 10 17:18:43 -85.347199 0.004467 LBFGSLineSearch: 11 17:18:43 -85.347226 0.004734 LBFGSLineSearch: 12 17:18:44 -85.347237 0.005153 LBFGSLineSearch: 13 17:18:45 -85.347250 0.006330 LBFGSLineSearch: 14 17:18:45 -85.347278 0.004745 LBFGSLineSearch: 15 17:18:45 -85.347290 0.004748 LBFGSLineSearch: 16 17:18:46 -85.347295 0.004178 LBFGSLineSearch: 17 17:18:46 -85.347305 0.003677 LBFGSLineSearch: 18 17:18:47 -85.347308 0.003596 LBFGSLineSearch: 19 17:18:48 -85.347330 0.001933 LBFGSLineSearch: 20 17:18:49 -85.347333 0.002654 LBFGSLineSearch: 21 17:18:50 -85.347335 0.001973 LBFGSLineSearch: 22 17:18:51 -85.347337 0.000946 LBFGSLineSearch: 23 17:18:52 -85.347337 0.000858 LBFGSLineSearch: 24 17:18:52 -85.347337 0.000588 LBFGSLineSearch: 25 17:18:53 -85.347338 0.000191 LBFGSLineSearch: 26 17:18:53 -85.347338 0.000147 LBFGSLineSearch: 27 17:18:54 -85.347338 0.000120 LBFGSLineSearch: 28 17:18:54 -85.347338 0.000107 LBFGSLineSearch: 29 17:18:54 -85.347338 0.000102 LBFGSLineSearch: 30 17:18:54 -85.347338 0.000102 LBFGSLineSearch: 31 17:18:55 -85.347338 0.000000 Minimization converged after 31 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:01 -85.791399 0.031719 LBFGSLineSearch: 1 17:19:02 -85.792047 0.015251 LBFGSLineSearch: 2 17:19:03 -85.792218 0.012411 LBFGSLineSearch: 3 17:19:04 -85.792287 0.010355 LBFGSLineSearch: 4 17:19:05 -85.792376 0.012143 LBFGSLineSearch: 5 17:19:06 -85.792409 0.007371 LBFGSLineSearch: 6 17:19:06 -85.792450 0.007745 LBFGSLineSearch: 7 17:19:06 -85.792477 0.005154 LBFGSLineSearch: 8 17:19:06 -85.792489 0.005857 LBFGSLineSearch: 9 17:19:06 -85.792499 0.004890 LBFGSLineSearch: 10 17:19:07 -85.792504 0.004292 LBFGSLineSearch: 11 17:19:07 -85.792527 0.004457 LBFGSLineSearch: 12 17:19:07 -85.792536 0.005046 LBFGSLineSearch: 13 17:19:07 -85.792546 0.005801 LBFGSLineSearch: 14 17:19:07 -85.792570 0.004155 LBFGSLineSearch: 15 17:19:08 -85.792581 0.004253 LBFGSLineSearch: 16 17:19:10 -85.792587 0.003680 LBFGSLineSearch: 17 17:19:11 -85.792596 0.002947 LBFGSLineSearch: 18 17:19:13 -85.792610 0.001607 LBFGSLineSearch: 19 17:19:14 -85.792614 0.002832 LBFGSLineSearch: 20 17:19:15 -85.792616 0.002692 LBFGSLineSearch: 21 17:19:15 -85.792619 0.001641 LBFGSLineSearch: 22 17:19:15 -85.792620 0.001388 LBFGSLineSearch: 23 17:19:15 -85.792620 0.001201 LBFGSLineSearch: 24 17:19:16 -85.792622 0.000125 LBFGSLineSearch: 25 17:19:16 -85.792622 0.000132 LBFGSLineSearch: 26 17:19:17 -85.792622 0.000088 LBFGSLineSearch: 27 17:19:18 -85.792622 0.000067 LBFGSLineSearch: 28 17:19:19 -85.792622 0.000005 Minimization converged after 28 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:25 -86.239134 0.031896 LBFGSLineSearch: 1 17:19:25 -86.239793 0.015624 LBFGSLineSearch: 2 17:19:25 -86.239976 0.012812 LBFGSLineSearch: 3 17:19:26 -86.240048 0.010479 LBFGSLineSearch: 4 17:19:26 -86.240139 0.012826 LBFGSLineSearch: 5 17:19:26 -86.240175 0.007634 LBFGSLineSearch: 6 17:19:26 -86.240216 0.007365 LBFGSLineSearch: 7 17:19:26 -86.240243 0.005292 LBFGSLineSearch: 8 17:19:26 -86.240255 0.005961 LBFGSLineSearch: 9 17:19:26 -86.240266 0.005385 LBFGSLineSearch: 10 17:19:26 -86.240272 0.004283 LBFGSLineSearch: 11 17:19:27 -86.240292 0.004200 LBFGSLineSearch: 12 17:19:27 -86.240299 0.004838 LBFGSLineSearch: 13 17:19:27 -86.240307 0.005346 LBFGSLineSearch: 14 17:19:28 -86.240328 0.003547 LBFGSLineSearch: 15 17:19:28 -86.240337 0.003638 LBFGSLineSearch: 16 17:19:28 -86.240342 0.003747 LBFGSLineSearch: 17 17:19:28 -86.240350 0.002422 LBFGSLineSearch: 18 17:19:29 -86.240358 0.001786 LBFGSLineSearch: 19 17:19:29 -86.240361 0.002096 LBFGSLineSearch: 20 17:19:30 -86.240362 0.002773 LBFGSLineSearch: 21 17:19:30 -86.240366 0.001514 LBFGSLineSearch: 22 17:19:31 -86.240368 0.000774 LBFGSLineSearch: 23 17:19:32 -86.240369 0.000309 LBFGSLineSearch: 24 17:19:33 -86.240369 0.000083 LBFGSLineSearch: 25 17:19:34 -86.240369 0.000078 LBFGSLineSearch: 26 17:19:34 -86.240369 0.000067 LBFGSLineSearch: 27 17:19:34 -86.240369 0.000067 LBFGSLineSearch: 28 17:19:34 -86.240369 0.000050 LBFGSLineSearch: 29 17:19:35 -86.240369 0.000001 Minimization converged after 29 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:40 -86.689346 0.032070 LBFGSLineSearch: 1 17:19:42 -86.690018 0.016013 LBFGSLineSearch: 2 17:19:42 -86.690213 0.013240 LBFGSLineSearch: 3 17:19:42 -86.690289 0.010505 LBFGSLineSearch: 4 17:19:43 -86.690380 0.013081 LBFGSLineSearch: 5 17:19:43 -86.690416 0.007961 LBFGSLineSearch: 6 17:19:43 -86.690455 0.006898 LBFGSLineSearch: 7 17:19:43 -86.690480 0.005451 LBFGSLineSearch: 8 17:19:43 -86.690492 0.005712 LBFGSLineSearch: 9 17:19:43 -86.690502 0.005394 LBFGSLineSearch: 10 17:19:43 -86.690508 0.004081 LBFGSLineSearch: 11 17:19:43 -86.690524 0.003268 LBFGSLineSearch: 12 17:19:44 -86.690527 0.003944 LBFGSLineSearch: 13 17:19:44 -86.690533 0.003987 LBFGSLineSearch: 14 17:19:44 -86.690543 0.002566 LBFGSLineSearch: 15 17:19:44 -86.690549 0.002258 LBFGSLineSearch: 16 17:19:45 -86.690551 0.002279 LBFGSLineSearch: 17 17:19:45 -86.690554 0.002110 LBFGSLineSearch: 18 17:19:46 -86.690555 0.001537 LBFGSLineSearch: 19 17:19:46 -86.690556 0.001482 LBFGSLineSearch: 20 17:19:47 -86.690557 0.002279 LBFGSLineSearch: 21 17:19:48 -86.690559 0.001370 LBFGSLineSearch: 22 17:19:48 -86.690560 0.001707 LBFGSLineSearch: 23 17:19:48 -86.690562 0.000874 LBFGSLineSearch: 24 17:19:48 -86.690563 0.001096 LBFGSLineSearch: 25 17:19:49 -86.690563 0.001072 LBFGSLineSearch: 26 17:19:50 -86.690564 0.000367 LBFGSLineSearch: 27 17:19:51 -86.690564 0.000127 LBFGSLineSearch: 28 17:19:51 -86.690564 0.000084 LBFGSLineSearch: 29 17:19:52 -86.690564 0.000078 LBFGSLineSearch: 30 17:19:52 -86.690564 0.000050 LBFGSLineSearch: 31 17:19:53 -86.690564 0.000048 LBFGSLineSearch: 32 17:19:53 -86.690564 0.000040 LBFGSLineSearch: 33 17:19:54 -86.690564 0.000000 Minimization converged after 33 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:00 -87.141974 0.032244 LBFGSLineSearch: 1 17:20:01 -87.142844 0.014725 LBFGSLineSearch: 2 17:20:02 -87.143000 0.015755 LBFGSLineSearch: 3 17:20:02 -87.143076 0.008723 LBFGSLineSearch: 4 17:20:03 -87.143095 0.008645 LBFGSLineSearch: 5 17:20:03 -87.143119 0.007017 LBFGSLineSearch: 6 17:20:04 -87.143155 0.004333 LBFGSLineSearch: 7 17:20:04 -87.143158 0.004458 LBFGSLineSearch: 8 17:20:04 -87.143170 0.003360 LBFGSLineSearch: 9 17:20:04 -87.143173 0.004107 LBFGSLineSearch: 10 17:20:04 -87.143182 0.001975 LBFGSLineSearch: 11 17:20:04 -87.143183 0.002019 LBFGSLineSearch: 12 17:20:05 -87.143185 0.002610 LBFGSLineSearch: 13 17:20:05 -87.143188 0.001614 LBFGSLineSearch: 14 17:20:05 -87.143191 0.000999 LBFGSLineSearch: 15 17:20:05 -87.143191 0.001184 LBFGSLineSearch: 16 17:20:05 -87.143192 0.000836 LBFGSLineSearch: 17 17:20:05 -87.143193 0.000728 LBFGSLineSearch: 18 17:20:05 -87.143194 0.000807 LBFGSLineSearch: 19 17:20:05 -87.143194 0.000924 LBFGSLineSearch: 20 17:20:05 -87.143195 0.000241 LBFGSLineSearch: 21 17:20:05 -87.143195 0.000153 LBFGSLineSearch: 22 17:20:05 -87.143195 0.000111 LBFGSLineSearch: 23 17:20:06 -87.143195 0.000049 LBFGSLineSearch: 24 17:20:06 -87.143195 0.000037 LBFGSLineSearch: 25 17:20:07 -87.143195 0.000008 Minimization converged after 25 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:13 -87.597054 0.032421 LBFGSLineSearch: 1 17:20:14 -87.597950 0.015229 LBFGSLineSearch: 2 17:20:15 -87.598110 0.015858 LBFGSLineSearch: 3 17:20:16 -87.598187 0.008475 LBFGSLineSearch: 4 17:20:16 -87.598207 0.008415 LBFGSLineSearch: 5 17:20:17 -87.598230 0.007061 LBFGSLineSearch: 6 17:20:17 -87.598268 0.004458 LBFGSLineSearch: 7 17:20:17 -87.598271 0.004815 LBFGSLineSearch: 8 17:20:17 -87.598282 0.003225 LBFGSLineSearch: 9 17:20:17 -87.598286 0.003365 LBFGSLineSearch: 10 17:20:18 -87.598289 0.002765 LBFGSLineSearch: 11 17:20:18 -87.598294 0.001828 LBFGSLineSearch: 12 17:20:19 -87.598297 0.001351 LBFGSLineSearch: 13 17:20:19 -87.598298 0.000945 LBFGSLineSearch: 14 17:20:20 -87.598299 0.000794 LBFGSLineSearch: 15 17:20:21 -87.598299 0.000666 LBFGSLineSearch: 16 17:20:22 -87.598300 0.000661 LBFGSLineSearch: 17 17:20:23 -87.598300 0.000570 LBFGSLineSearch: 18 17:20:24 -87.598300 0.000522 LBFGSLineSearch: 19 17:20:24 -87.598300 0.000521 LBFGSLineSearch: 20 17:20:25 -87.598300 0.000437 LBFGSLineSearch: 21 17:20:25 -87.598300 0.000468 LBFGSLineSearch: 22 17:20:25 -87.598301 0.000586 LBFGSLineSearch: 23 17:20:26 -87.598301 0.000211 LBFGSLineSearch: 24 17:20:26 -87.598301 0.000146 LBFGSLineSearch: 25 17:20:27 -87.598301 0.000067 LBFGSLineSearch: 26 17:20:27 -87.598301 0.000052 LBFGSLineSearch: 27 17:20:27 -87.598301 0.000049 LBFGSLineSearch: 28 17:20:27 -87.598301 0.000001 Minimization converged after 28 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:33 -88.054667 0.032598 LBFGSLineSearch: 1 17:20:35 -88.055591 0.015747 LBFGSLineSearch: 2 17:20:35 -88.055759 0.016048 LBFGSLineSearch: 3 17:20:36 -88.055838 0.008211 LBFGSLineSearch: 4 17:20:36 -88.055858 0.008288 LBFGSLineSearch: 5 17:20:37 -88.055882 0.007288 LBFGSLineSearch: 6 17:20:37 -88.055924 0.004707 LBFGSLineSearch: 7 17:20:37 -88.055927 0.005205 LBFGSLineSearch: 8 17:20:38 -88.055944 0.003309 LBFGSLineSearch: 9 17:20:39 -88.055948 0.001915 LBFGSLineSearch: 10 17:20:39 -88.055951 0.001684 LBFGSLineSearch: 11 17:20:40 -88.055952 0.002201 LBFGSLineSearch: 12 17:20:40 -88.055954 0.001104 LBFGSLineSearch: 13 17:20:41 -88.055955 0.001065 LBFGSLineSearch: 14 17:20:41 -88.055956 0.001281 LBFGSLineSearch: 15 17:20:42 -88.055957 0.000339 LBFGSLineSearch: 16 17:20:42 -88.055957 0.000325 LBFGSLineSearch: 17 17:20:42 -88.055957 0.000357 LBFGSLineSearch: 18 17:20:42 -88.055957 0.000298 LBFGSLineSearch: 19 17:20:42 -88.055957 0.000283 LBFGSLineSearch: 20 17:20:42 -88.055957 0.000283 LBFGSLineSearch: 21 17:20:42 -88.055957 0.000272 LBFGSLineSearch: 22 17:20:43 -88.055957 0.000159 LBFGSLineSearch: 23 17:20:43 -88.055957 0.000125 LBFGSLineSearch: 24 17:20:43 -88.055957 0.000052 LBFGSLineSearch: 25 17:20:43 -88.055957 0.000009 Minimization converged after 25 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:49 -88.514921 0.032792 LBFGSLineSearch: 1 17:20:50 -88.515875 0.016329 LBFGSLineSearch: 2 17:20:51 -88.516051 0.016375 LBFGSLineSearch: 3 17:20:51 -88.516136 0.008036 LBFGSLineSearch: 4 17:20:51 -88.516157 0.008816 LBFGSLineSearch: 5 17:20:52 -88.516183 0.007974 LBFGSLineSearch: 6 17:20:52 -88.516231 0.005033 LBFGSLineSearch: 7 17:20:52 -88.516234 0.005685 LBFGSLineSearch: 8 17:20:52 -88.516255 0.002699 LBFGSLineSearch: 9 17:20:52 -88.516259 0.002065 LBFGSLineSearch: 10 17:20:52 -88.516262 0.001781 LBFGSLineSearch: 11 17:20:52 -88.516263 0.002135 LBFGSLineSearch: 12 17:20:53 -88.516264 0.002533 LBFGSLineSearch: 13 17:20:54 -88.516267 0.001161 LBFGSLineSearch: 14 17:20:54 -88.516268 0.001008 LBFGSLineSearch: 15 17:20:55 -88.516269 0.000361 LBFGSLineSearch: 16 17:20:55 -88.516269 0.000195 LBFGSLineSearch: 17 17:20:55 -88.516269 0.000160 LBFGSLineSearch: 18 17:20:55 -88.516269 0.000128 LBFGSLineSearch: 19 17:20:55 -88.516269 0.000128 LBFGSLineSearch: 20 17:20:56 -88.516269 0.000086 LBFGSLineSearch: 21 17:20:56 -88.516269 0.000087 LBFGSLineSearch: 22 17:20:56 -88.516269 0.000056 LBFGSLineSearch: 23 17:20:56 -88.516269 0.000013 LBFGSLineSearch: 24 17:20:56 -88.516269 0.000010 Minimization converged after 24 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:02 -88.977951 0.032980 LBFGSLineSearch: 1 17:21:03 -88.978939 0.016967 LBFGSLineSearch: 2 17:21:04 -88.979125 0.016817 LBFGSLineSearch: 3 17:21:04 -88.979216 0.008094 LBFGSLineSearch: 4 17:21:05 -88.979239 0.009673 LBFGSLineSearch: 5 17:21:05 -88.979269 0.008803 LBFGSLineSearch: 6 17:21:05 -88.979326 0.005450 LBFGSLineSearch: 7 17:21:05 -88.979330 0.006267 LBFGSLineSearch: 8 17:21:05 -88.979355 0.003257 LBFGSLineSearch: 9 17:21:05 -88.979360 0.002532 LBFGSLineSearch: 10 17:21:05 -88.979365 0.002990 LBFGSLineSearch: 11 17:21:06 -88.979366 0.002138 LBFGSLineSearch: 12 17:21:06 -88.979369 0.001157 LBFGSLineSearch: 13 17:21:06 -88.979370 0.001245 LBFGSLineSearch: 14 17:21:06 -88.979371 0.001414 LBFGSLineSearch: 15 17:21:07 -88.979373 0.000565 LBFGSLineSearch: 16 17:21:07 -88.979373 0.000331 LBFGSLineSearch: 17 17:21:07 -88.979373 0.000269 LBFGSLineSearch: 18 17:21:07 -88.979373 0.000204 LBFGSLineSearch: 19 17:21:08 -88.979373 0.000181 LBFGSLineSearch: 20 17:21:08 -88.979373 0.000160 LBFGSLineSearch: 21 17:21:09 -88.979373 0.000157 LBFGSLineSearch: 22 17:21:10 -88.979373 0.000062 LBFGSLineSearch: 23 17:21:10 -88.979373 0.000060 LBFGSLineSearch: 24 17:21:10 -88.979373 0.000056 LBFGSLineSearch: 25 17:21:11 -88.979373 0.000033 LBFGSLineSearch: 26 17:21:11 -88.979373 0.000014 LBFGSLineSearch: 27 17:21:11 -88.979373 0.000003 Minimization converged after 27 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:17 -89.443929 0.033185 LBFGSLineSearch: 1 17:21:18 -89.444953 0.017684 LBFGSLineSearch: 2 17:21:19 -89.445153 0.017421 LBFGSLineSearch: 3 17:21:19 -89.445254 0.008859 LBFGSLineSearch: 4 17:21:20 -89.445279 0.010692 LBFGSLineSearch: 5 17:21:20 -89.445314 0.009795 LBFGSLineSearch: 6 17:21:20 -89.445384 0.005939 LBFGSLineSearch: 7 17:21:20 -89.445389 0.006973 LBFGSLineSearch: 8 17:21:21 -89.445422 0.004065 LBFGSLineSearch: 9 17:21:21 -89.445427 0.003178 LBFGSLineSearch: 10 17:21:22 -89.445437 0.002770 LBFGSLineSearch: 11 17:21:22 -89.445439 0.001824 LBFGSLineSearch: 12 17:21:23 -89.445443 0.002620 LBFGSLineSearch: 13 17:21:23 -89.445444 0.001525 LBFGSLineSearch: 14 17:21:24 -89.445447 0.000963 LBFGSLineSearch: 15 17:21:27 -89.445447 0.000591 LBFGSLineSearch: 16 17:21:28 -89.445447 0.000537 LBFGSLineSearch: 17 17:21:30 -89.445447 0.000493 LBFGSLineSearch: 18 17:21:33 -89.445448 0.000326 LBFGSLineSearch: 19 17:21:35 -89.445448 0.000233 LBFGSLineSearch: 20 17:21:35 -89.445448 0.000249 LBFGSLineSearch: 21 17:21:38 -89.445448 0.000127 LBFGSLineSearch: 22 17:21:39 -89.445448 0.000082 LBFGSLineSearch: 23 17:21:40 -89.445448 0.000077 LBFGSLineSearch: 24 17:21:40 -89.445448 0.000055 LBFGSLineSearch: 25 17:21:41 -89.445448 0.000000 Minimization converged after 25 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:21:47 -89.913081 0.033403 LBFGSLineSearch: 1 17:21:49 -89.914144 0.018501 LBFGSLineSearch: 2 17:21:49 -89.914363 0.018224 LBFGSLineSearch: 3 17:21:49 -89.914477 0.009774 LBFGSLineSearch: 4 17:21:49 -89.914506 0.011872 LBFGSLineSearch: 5 17:21:49 -89.914547 0.011013 LBFGSLineSearch: 6 17:21:49 -89.914637 0.006616 LBFGSLineSearch: 7 17:21:49 -89.914643 0.007879 LBFGSLineSearch: 8 17:21:49 -89.914686 0.005072 LBFGSLineSearch: 9 17:21:49 -89.914693 0.004197 LBFGSLineSearch: 10 17:21:50 -89.914710 0.002561 LBFGSLineSearch: 11 17:21:50 -89.914720 0.002692 LBFGSLineSearch: 12 17:21:50 -89.914722 0.002027 LBFGSLineSearch: 13 17:21:50 -89.914723 0.002271 LBFGSLineSearch: 14 17:21:51 -89.914726 0.000932 LBFGSLineSearch: 15 17:21:52 -89.914727 0.000745 LBFGSLineSearch: 16 17:21:54 -89.914727 0.000766 LBFGSLineSearch: 17 17:21:55 -89.914728 0.000499 LBFGSLineSearch: 18 17:21:55 -89.914728 0.000580 LBFGSLineSearch: 19 17:21:56 -89.914729 0.000353 LBFGSLineSearch: 20 17:21:57 -89.914729 0.000315 LBFGSLineSearch: 21 17:21:57 -89.914729 0.000207 LBFGSLineSearch: 22 17:21:57 -89.914729 0.000088 LBFGSLineSearch: 23 17:21:58 -89.914729 0.000089 LBFGSLineSearch: 24 17:21:59 -89.914729 0.000079 LBFGSLineSearch: 25 17:21:59 -89.914729 0.000045 LBFGSLineSearch: 26 17:21:59 -89.914729 0.000020 LBFGSLineSearch: 27 17:22:00 -89.914729 0.000000 Minimization converged after 27 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:06 -90.385711 0.033642 LBFGSLineSearch: 1 17:22:07 -90.386818 0.019450 LBFGSLineSearch: 2 17:22:07 -90.387060 0.019294 LBFGSLineSearch: 3 17:22:07 -90.387194 0.010889 LBFGSLineSearch: 4 17:22:07 -90.387228 0.013325 LBFGSLineSearch: 5 17:22:08 -90.387280 0.012550 LBFGSLineSearch: 6 17:22:08 -90.387398 0.007587 LBFGSLineSearch: 7 17:22:08 -90.387408 0.009072 LBFGSLineSearch: 8 17:22:08 -90.387466 0.006278 LBFGSLineSearch: 9 17:22:08 -90.387477 0.005359 LBFGSLineSearch: 10 17:22:08 -90.387506 0.003153 LBFGSLineSearch: 11 17:22:08 -90.387518 0.003807 LBFGSLineSearch: 12 17:22:08 -90.387524 0.002887 LBFGSLineSearch: 13 17:22:09 -90.387527 0.003039 LBFGSLineSearch: 14 17:22:09 -90.387529 0.002994 LBFGSLineSearch: 15 17:22:09 -90.387533 0.001498 LBFGSLineSearch: 16 17:22:10 -90.387535 0.001167 LBFGSLineSearch: 17 17:22:10 -90.387535 0.001224 LBFGSLineSearch: 18 17:22:10 -90.387537 0.000761 LBFGSLineSearch: 19 17:22:10 -90.387537 0.000838 LBFGSLineSearch: 20 17:22:10 -90.387539 0.000373 LBFGSLineSearch: 21 17:22:10 -90.387540 0.000317 LBFGSLineSearch: 22 17:22:10 -90.387540 0.000110 LBFGSLineSearch: 23 17:22:10 -90.387540 0.000098 LBFGSLineSearch: 24 17:22:10 -90.387540 0.000074 LBFGSLineSearch: 25 17:22:10 -90.387540 0.000000 Minimization converged after 25 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:16 -90.862257 0.033908 LBFGSLineSearch: 1 17:22:17 -90.863413 0.020586 LBFGSLineSearch: 2 17:22:18 -90.863688 0.020751 LBFGSLineSearch: 3 17:22:18 -90.863850 0.012261 LBFGSLineSearch: 4 17:22:18 -90.863884 0.013953 LBFGSLineSearch: 5 17:22:18 -90.863928 0.016310 LBFGSLineSearch: 6 17:22:18 -90.863977 0.013835 LBFGSLineSearch: 7 17:22:19 -90.864135 0.009327 LBFGSLineSearch: 8 17:22:20 -90.864151 0.009842 LBFGSLineSearch: 9 17:22:20 -90.864220 0.006490 LBFGSLineSearch: 10 17:22:20 -90.864241 0.007390 LBFGSLineSearch: 11 17:22:21 -90.864260 0.008252 LBFGSLineSearch: 12 17:22:21 -90.864301 0.004608 LBFGSLineSearch: 13 17:22:22 -90.864307 0.003740 LBFGSLineSearch: 14 17:22:23 -90.864331 0.004461 LBFGSLineSearch: 15 17:22:23 -90.864335 0.004962 LBFGSLineSearch: 16 17:22:24 -90.864345 0.001833 LBFGSLineSearch: 17 17:22:25 -90.864349 0.001504 LBFGSLineSearch: 18 17:22:26 -90.864350 0.001574 LBFGSLineSearch: 19 17:22:27 -90.864350 0.001631 LBFGSLineSearch: 20 17:22:27 -90.864355 0.000927 LBFGSLineSearch: 21 17:22:27 -90.864355 0.001295 LBFGSLineSearch: 22 17:22:27 -90.864359 0.000356 LBFGSLineSearch: 23 17:22:27 -90.864359 0.000310 LBFGSLineSearch: 24 17:22:28 -90.864359 0.000165 LBFGSLineSearch: 25 17:22:28 -90.864359 0.000110 LBFGSLineSearch: 26 17:22:28 -90.864359 0.000094 LBFGSLineSearch: 27 17:22:28 -90.864359 0.000105 LBFGSLineSearch: 28 17:22:28 -90.864359 0.000030 LBFGSLineSearch: 29 17:22:29 -90.864359 0.000001 Minimization converged after 29 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:35 -91.343406 0.034218 LBFGSLineSearch: 1 17:22:37 -91.344620 0.022010 LBFGSLineSearch: 2 17:22:37 -91.344941 0.022815 LBFGSLineSearch: 3 17:22:37 -91.345146 0.014072 LBFGSLineSearch: 4 17:22:37 -91.345195 0.016440 LBFGSLineSearch: 5 17:22:37 -91.345252 0.019513 LBFGSLineSearch: 6 17:22:37 -91.345319 0.016688 LBFGSLineSearch: 7 17:22:37 -91.345564 0.011556 LBFGSLineSearch: 8 17:22:37 -91.345591 0.012081 LBFGSLineSearch: 9 17:22:38 -91.345736 0.009720 LBFGSLineSearch: 10 17:22:38 -91.345763 0.008810 LBFGSLineSearch: 11 17:22:38 -91.345855 0.005310 LBFGSLineSearch: 12 17:22:38 -91.345865 0.006961 LBFGSLineSearch: 13 17:22:38 -91.345913 0.008323 LBFGSLineSearch: 14 17:22:38 -91.345931 0.005220 LBFGSLineSearch: 15 17:22:38 -91.345947 0.002969 LBFGSLineSearch: 16 17:22:38 -91.345952 0.002820 LBFGSLineSearch: 17 17:22:38 -91.345954 0.002415 LBFGSLineSearch: 18 17:22:38 -91.345960 0.002292 LBFGSLineSearch: 19 17:22:38 -91.345961 0.002224 LBFGSLineSearch: 20 17:22:38 -91.345962 0.002041 LBFGSLineSearch: 21 17:22:38 -91.345972 0.001593 LBFGSLineSearch: 22 17:22:38 -91.345973 0.001714 LBFGSLineSearch: 23 17:22:38 -91.345979 0.000290 LBFGSLineSearch: 24 17:22:39 -91.345979 0.000239 LBFGSLineSearch: 25 17:22:39 -91.345979 0.000199 LBFGSLineSearch: 26 17:22:39 -91.345980 0.000085 LBFGSLineSearch: 27 17:22:40 -91.345980 0.000076 LBFGSLineSearch: 28 17:22:41 -91.345980 0.000003 Minimization converged after 28 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:22:47 -91.830420 0.034605 LBFGSLineSearch: 1 17:22:47 -91.831705 0.023791 LBFGSLineSearch: 2 17:22:48 -91.832092 0.024709 LBFGSLineSearch: 3 17:22:48 -91.832324 0.023873 LBFGSLineSearch: 4 17:22:48 -91.832467 0.019949 LBFGSLineSearch: 5 17:22:48 -91.832599 0.021003 LBFGSLineSearch: 6 17:22:48 -91.832650 0.023049 LBFGSLineSearch: 7 17:22:48 -91.833097 0.016012 LBFGSLineSearch: 8 17:22:48 -91.833315 0.021606 LBFGSLineSearch: 9 17:22:48 -91.833467 0.013977 LBFGSLineSearch: 10 17:22:48 -91.833625 0.011269 LBFGSLineSearch: 11 17:22:49 -91.833757 0.010544 LBFGSLineSearch: 12 17:22:49 -91.833813 0.007476 LBFGSLineSearch: 13 17:22:49 -91.833890 0.014560 LBFGSLineSearch: 14 17:22:50 -91.833925 0.012136 LBFGSLineSearch: 15 17:22:51 -91.834017 0.006021 LBFGSLineSearch: 16 17:22:52 -91.834023 0.005064 LBFGSLineSearch: 17 17:22:53 -91.834028 0.003598 LBFGSLineSearch: 18 17:22:54 -91.834044 0.003357 LBFGSLineSearch: 19 17:22:54 -91.834047 0.003508 LBFGSLineSearch: 20 17:22:55 -91.834050 0.003547 LBFGSLineSearch: 21 17:22:56 -91.834065 0.005680 LBFGSLineSearch: 22 17:22:57 -91.834075 0.002670 LBFGSLineSearch: 23 17:22:58 -91.834094 0.000586 LBFGSLineSearch: 24 17:22:58 -91.834094 0.000234 LBFGSLineSearch: 25 17:22:58 -91.834094 0.000197 LBFGSLineSearch: 26 17:22:58 -91.834094 0.000030 LBFGSLineSearch: 27 17:22:59 -91.834094 0.000031 LBFGSLineSearch: 28 17:22:59 -91.834094 0.000024 LBFGSLineSearch: 29 17:22:59 -91.834094 0.000011 LBFGSLineSearch: 30 17:22:59 -91.834094 0.000002 Minimization converged after 30 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:05 -92.326730 0.035189 LBFGSLineSearch: 1 17:23:05 -92.328117 0.025863 LBFGSLineSearch: 2 17:23:05 -92.328396 0.029098 LBFGSLineSearch: 3 17:23:06 -92.328759 0.035664 LBFGSLineSearch: 4 17:23:06 -92.329083 0.031332 LBFGSLineSearch: 5 17:23:06 -92.329396 0.029455 LBFGSLineSearch: 6 17:23:07 -92.329632 0.033881 LBFGSLineSearch: 7 17:23:07 -92.329755 0.033314 LBFGSLineSearch: 8 17:23:08 -92.331133 0.030283 LBFGSLineSearch: 9 17:23:08 -92.331500 0.042727 LBFGSLineSearch: 10 17:23:08 -92.373028 0.394009 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 10 steps. Final forces: [[ 2.22794329e-01 -1.71488535e-01 -6.44388353e-02] [-2.22794329e-01 -1.71488535e-01 6.44388353e-02] [-2.22794329e-01 1.71488535e-01 6.44388353e-02] [ 2.22794329e-01 1.71488535e-01 -6.44388353e-02] [-1.01074008e-18 1.79109596e-02 -1.25795405e-18] [ 1.01074008e-18 -1.79109596e-02 1.25795405e-18] [-3.01983859e-01 -2.15714794e-01 1.87687792e-02] [ 3.01983859e-01 -2.15714794e-01 -1.87687792e-02] [ 3.01983859e-01 2.15714794e-01 -1.87687792e-02] [-3.01983859e-01 2.15714794e-01 1.87687792e-02] [-2.15070129e-01 -4.20830174e-02 1.06827088e-01] [ 2.15070129e-01 -4.20830174e-02 -1.06827088e-01] [ 2.15070129e-01 4.20830174e-02 -1.06827088e-01] [-2.15070129e-01 4.20830174e-02 1.06827088e-01]] Final stress: [ 1.36450359e-01 1.46184116e-01 1.61968071e-01 -3.29116244e-16 -5.76779370e-03 -2.92588893e-18] Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:14 -92.924186 0.371590 LBFGSLineSearch: 1 17:23:15 -92.969999 0.200495 LBFGSLineSearch: 2 17:23:16 -92.978427 0.227836 LBFGSLineSearch: 3 17:23:17 -93.020593 0.381088 LBFGSLineSearch: 4 17:23:17 -93.045021 0.435912 LBFGSLineSearch: 5 17:23:17 -93.095994 0.775972 LBFGSLineSearch: 6 17:23:18 -93.223869 0.903568 LBFGSLineSearch: 7 17:23:18 -93.522603 1.377387 LBFGSLineSearch: 8 17:23:18 -94.422493 2.001477 LBFGSLineSearch: 9 17:23:19 -94.771398 2.566195 LBFGSLineSearch: 10 17:23:19 -96.030353 5.544202 LBFGSLineSearch: 11 17:23:20 -96.842690 7.450543 LBFGSLineSearch: 12 17:23:21 -100.955041 5.315035 Failed to get energy or crystal structure at pressure -24.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')