Model name? Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000 Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Runtime arguments (literal dictonary)? No runtime arguments given Initial parameters from query or test_generator (literal list of dicts)? 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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_KimJungLee_2009_FeTiC__SM_531038274471_000", "short-id": "SM_531038274471_000", "kimid-prefix": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC", "kimid-typecode": "sm", "kimid-number": "531038274471", "kimid-version": "000", "kimid-version-as-integer": 0, "name": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC", "type": "sm", "kimnum": "531038274471", "version": 0, "shortcode": "SM_531038274471", "kimcode": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "path": "sm/Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "approved": true, "_id": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "makeable": true, "subject": true, "driver": false, "content-origin": "NIST IPRP (https://www.ctcms.nist.gov/potentials/Fe.html#Fe-Ti-C)", "contributor-id": "4d62befd-21c4-42b8-a472-86132e6591f3", "description": "Modified embedded-atom method (MEAM) interatomic potentials for the Fe\u2013Ti\u2013C and Fe\u2013Ti\u2013N ternary systems have been developed based on the previously developed MEAM potentials for sub-unary and binary systems. An attempt was made to find a way to determine ternary potential parameters using the corresponding binary parameters. The calculated coherent interface properties, interfacial energy, work of separation and misfit strain energy between body-centered cubic Fe and NaCl-type TiC or TiN were reasonable when compared with relevant first-principles calculations under the same condition. The applicability of the present potentials for atomistic simulations to investigate nucleation kinetics of TiC or TiN precipitates and their effects on mechanical properties in steels is also demonstrated.", "developer": [ "5a167265-87e3-44e4-870e-759fac0c70d7", "59cc80e4-a52a-48c1-90e0-292f4f6782fe", "c8ad0beb-f4c8-4ddc-8a25-372f5cc4a17e" ], "doi": "10.25950/82f4fba9", "domain": "openkim.org", "kim-api-version": "2.1", "maintainer-id": "4d62befd-21c4-42b8-a472-86132e6591f3", "potential-type": "meam", "publication-year": "2019", "run-compatibility": "portable-models", "simulator-name": "LAMMPS", "simulator-potential": "meam/c", "source-citations": [ { "author": "Kim, Hyun-Kyu and Jung, Woo-Sang and Lee, Byeong-Joo", "doi": "10.1016/j.actamat.2009.03.019", "journal": "Acta Materialia", "number": "11", "pages": "3140--3147", "recordkey": "SM_531038274471_000a", "recordprimary": "recordprimary", "recordtype": "article", "title": "Modified embedded-atom method interatomic potentials for the {F}e\u2013{T}i\u2013{C} and {F}e\u2013{T}i\u2013{N} ternary systems", "volume": "57", "year": "2009" } ], "species": [ "Fe", "Ti", "C" ], "title": "LAMMPS MEAM potential for Fe-Ti-C developed by Kim, Jung, and Lee (2009) v000", "created_on": "2023-11-29 17:14:14.307974" }, "test": "EquilibriumCrystalStructure_A2B5_mC28_15_f_e2f_CFe__TE_712723756130_003", "simulator-model": "Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000", "domain": "openkim.org", "test-result-id": "TE_712723756130_003-and-SM_531038274471_000-1750699547-tr", "created_on": "2025-06-23 18:33:37.410055", "dependencies": [] }, "created_on": "2025-06-23 18:33:37.410055", "inserted_on": "2025-06-23 18:35:46.094801", "latest": true } ] NOTE: The configuration you provided has a maximum force component 0.0004111282921024288 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Performing energy scan... Pressure: 0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:14:49 -72.226915 0.029484 LBFGSLineSearch: 1 14:14:53 -72.227239 0.011511 LBFGSLineSearch: 2 14:14:56 -72.227273 0.009009 LBFGSLineSearch: 3 14:14:58 -72.227301 0.009107 LBFGSLineSearch: 4 14:15:01 -72.227318 0.005623 LBFGSLineSearch: 5 14:15:02 -72.227327 0.002419 LBFGSLineSearch: 6 14:15:04 -72.227328 0.002455 LBFGSLineSearch: 7 14:15:07 -72.227329 0.002100 LBFGSLineSearch: 8 14:15:10 -72.227331 0.002283 LBFGSLineSearch: 9 14:15:14 -72.227332 0.001991 LBFGSLineSearch: 10 14:15:17 -72.227333 0.000944 LBFGSLineSearch: 11 14:15:20 -72.227334 0.000534 LBFGSLineSearch: 12 14:15:23 -72.227334 0.000388 LBFGSLineSearch: 13 14:15:24 -72.227334 0.000353 LBFGSLineSearch: 14 14:15:26 -72.227334 0.000184 LBFGSLineSearch: 15 14:15:27 -72.227334 0.000161 LBFGSLineSearch: 16 14:15:28 -72.227334 0.000120 LBFGSLineSearch: 17 14:15:32 -72.227334 0.000107 LBFGSLineSearch: 18 14:15:34 -72.227334 0.000124 LBFGSLineSearch: 19 14:15:37 -72.227334 0.000085 LBFGSLineSearch: 20 14:15:39 -72.227334 0.000067 LBFGSLineSearch: 21 14:15:43 -72.227334 0.000073 LBFGSLineSearch: 22 14:15:45 -72.227334 0.000044 LBFGSLineSearch: 23 14:15:48 -72.227334 0.000029 LBFGSLineSearch: 24 14:15:52 -72.227334 0.000011 LBFGSLineSearch: 25 14:15:54 -72.227334 0.000002 Minimization converged after 25 steps. Pressure: 0.5612310241546865 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:16:02 -72.176966 0.003599 LBFGSLineSearch: 1 14:16:06 -72.176971 0.001306 LBFGSLineSearch: 2 14:16:07 -72.176972 0.000928 LBFGSLineSearch: 3 14:16:10 -72.176972 0.001208 LBFGSLineSearch: 4 14:16:12 -72.176972 0.000532 LBFGSLineSearch: 5 14:16:13 -72.176972 0.000299 LBFGSLineSearch: 6 14:16:16 -72.176972 0.000292 LBFGSLineSearch: 7 14:16:18 -72.176972 0.000193 LBFGSLineSearch: 8 14:16:21 -72.176972 0.000220 LBFGSLineSearch: 9 14:16:23 -72.176972 0.000133 LBFGSLineSearch: 10 14:16:27 -72.176972 0.000064 LBFGSLineSearch: 11 14:16:30 -72.176972 0.000026 LBFGSLineSearch: 12 14:16:32 -72.176972 0.000021 LBFGSLineSearch: 13 14:16:34 -72.176972 0.000016 LBFGSLineSearch: 14 14:16:36 -72.176972 0.000011 LBFGSLineSearch: 15 14:16:39 -72.176972 0.000011 LBFGSLineSearch: 16 14:16:40 -72.176972 0.000009 Minimization converged after 16 steps. Pressure: 0.6299605249474366 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:16:48 -72.120451 0.004040 LBFGSLineSearch: 1 14:16:51 -72.120457 0.001467 LBFGSLineSearch: 2 14:16:54 -72.120457 0.001051 LBFGSLineSearch: 3 14:16:56 -72.120458 0.001359 LBFGSLineSearch: 4 14:16:58 -72.120458 0.000596 LBFGSLineSearch: 5 14:17:01 -72.120458 0.000336 LBFGSLineSearch: 6 14:17:04 -72.120458 0.000335 LBFGSLineSearch: 7 14:17:05 -72.120458 0.000309 LBFGSLineSearch: 8 14:17:08 -72.120458 0.000355 LBFGSLineSearch: 9 14:17:11 -72.120458 0.000204 LBFGSLineSearch: 10 14:17:13 -72.120458 0.000149 LBFGSLineSearch: 11 14:17:14 -72.120458 0.000064 LBFGSLineSearch: 12 14:17:15 -72.120458 0.000028 LBFGSLineSearch: 13 14:17:18 -72.120458 0.000022 LBFGSLineSearch: 14 14:17:20 -72.120458 0.000018 LBFGSLineSearch: 15 14:17:23 -72.120458 0.000012 LBFGSLineSearch: 16 14:17:25 -72.120458 0.000010 Minimization converged after 16 steps. Pressure: 0.7071067811865475 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:17:33 -72.057032 0.004532 LBFGSLineSearch: 1 14:17:35 -72.057040 0.001638 LBFGSLineSearch: 2 14:17:37 -72.057041 0.001148 LBFGSLineSearch: 3 14:17:39 -72.057041 0.001512 LBFGSLineSearch: 4 14:17:42 -72.057042 0.000666 LBFGSLineSearch: 5 14:17:46 -72.057042 0.000377 LBFGSLineSearch: 6 14:17:49 -72.057042 0.000381 LBFGSLineSearch: 7 14:17:52 -72.057042 0.000341 LBFGSLineSearch: 8 14:17:55 -72.057042 0.000232 LBFGSLineSearch: 9 14:17:58 -72.057042 0.000225 LBFGSLineSearch: 10 14:18:00 -72.057042 0.000146 LBFGSLineSearch: 11 14:18:02 -72.057042 0.000145 LBFGSLineSearch: 12 14:18:05 -72.057042 0.000086 LBFGSLineSearch: 13 14:18:08 -72.057042 0.000055 LBFGSLineSearch: 14 14:18:10 -72.057042 0.000028 LBFGSLineSearch: 15 14:18:12 -72.057042 0.000023 LBFGSLineSearch: 16 14:18:14 -72.057042 0.000015 LBFGSLineSearch: 17 14:18:18 -72.057042 0.000013 LBFGSLineSearch: 18 14:18:22 -72.057042 0.000010 Minimization converged after 18 steps. Pressure: 0.7937005259840997 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:18:30 -71.985871 0.005087 LBFGSLineSearch: 1 14:18:34 -71.985881 0.001847 LBFGSLineSearch: 2 14:18:37 -71.985882 0.001334 LBFGSLineSearch: 3 14:18:40 -71.985883 0.001716 LBFGSLineSearch: 4 14:18:43 -71.985883 0.000753 LBFGSLineSearch: 5 14:18:45 -71.985883 0.000423 LBFGSLineSearch: 6 14:18:47 -71.985883 0.000426 LBFGSLineSearch: 7 14:18:49 -71.985883 0.000416 LBFGSLineSearch: 8 14:18:52 -71.985884 0.000429 LBFGSLineSearch: 9 14:18:54 -71.985884 0.000227 LBFGSLineSearch: 10 14:18:56 -71.985884 0.000261 LBFGSLineSearch: 11 14:18:58 -71.985884 0.000146 LBFGSLineSearch: 12 14:19:01 -71.985884 0.000158 LBFGSLineSearch: 13 14:19:03 -71.985884 0.000137 LBFGSLineSearch: 14 14:19:05 -71.985884 0.000083 LBFGSLineSearch: 15 14:19:07 -71.985884 0.000056 LBFGSLineSearch: 16 14:19:10 -71.985884 0.000031 LBFGSLineSearch: 17 14:19:11 -71.985884 0.000023 LBFGSLineSearch: 18 14:19:13 -71.985884 0.000015 LBFGSLineSearch: 19 14:19:14 -71.985884 0.000014 LBFGSLineSearch: 20 14:19:16 -71.985884 0.000007 Minimization converged after 20 steps. Pressure: 0.8908987181403393 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:19:25 -71.906025 0.005707 LBFGSLineSearch: 1 14:19:29 -71.906037 0.002067 LBFGSLineSearch: 2 14:19:32 -71.906038 0.001488 LBFGSLineSearch: 3 14:19:33 -71.906039 0.001921 LBFGSLineSearch: 4 14:19:34 -71.906040 0.000846 LBFGSLineSearch: 5 14:19:34 -71.906040 0.000476 LBFGSLineSearch: 6 14:19:35 -71.906040 0.000480 LBFGSLineSearch: 7 14:19:37 -71.906040 0.000470 LBFGSLineSearch: 8 14:19:39 -71.906040 0.000486 LBFGSLineSearch: 9 14:19:43 -71.906040 0.000259 LBFGSLineSearch: 10 14:19:46 -71.906040 0.000270 LBFGSLineSearch: 11 14:19:49 -71.906040 0.000259 LBFGSLineSearch: 12 14:19:51 -71.906040 0.000147 LBFGSLineSearch: 13 14:19:52 -71.906040 0.000168 LBFGSLineSearch: 14 14:19:54 -71.906040 0.000082 LBFGSLineSearch: 15 14:19:57 -71.906040 0.000073 LBFGSLineSearch: 16 14:20:00 -71.906040 0.000040 LBFGSLineSearch: 17 14:20:02 -71.906040 0.000027 LBFGSLineSearch: 18 14:20:04 -71.906040 0.000017 LBFGSLineSearch: 19 14:20:08 -71.906040 0.000016 LBFGSLineSearch: 20 14:20:11 -71.906040 0.000009 Minimization converged after 20 steps. Pressure: 1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:20:21 -71.816437 0.006404 LBFGSLineSearch: 1 14:20:24 -71.816452 0.002314 LBFGSLineSearch: 2 14:20:25 -71.816454 0.001667 LBFGSLineSearch: 3 14:20:27 -71.816455 0.002156 LBFGSLineSearch: 4 14:20:29 -71.816456 0.000943 LBFGSLineSearch: 5 14:20:32 -71.816456 0.000536 LBFGSLineSearch: 6 14:20:33 -71.816456 0.000541 LBFGSLineSearch: 7 14:20:35 -71.816456 0.000532 LBFGSLineSearch: 8 14:20:37 -71.816456 0.000558 LBFGSLineSearch: 9 14:20:39 -71.816456 0.000311 LBFGSLineSearch: 10 14:20:41 -71.816456 0.000307 LBFGSLineSearch: 11 14:20:44 -71.816456 0.000295 LBFGSLineSearch: 12 14:20:46 -71.816456 0.000158 LBFGSLineSearch: 13 14:20:48 -71.816456 0.000184 LBFGSLineSearch: 14 14:20:50 -71.816456 0.000120 LBFGSLineSearch: 15 14:20:51 -71.816456 0.000083 LBFGSLineSearch: 16 14:20:53 -71.816456 0.000071 LBFGSLineSearch: 17 14:20:55 -71.816456 0.000034 LBFGSLineSearch: 18 14:20:56 -71.816456 0.000029 LBFGSLineSearch: 19 14:20:58 -71.816456 0.000019 LBFGSLineSearch: 20 14:20:58 -71.816456 0.000018 LBFGSLineSearch: 21 14:21:00 -71.816456 0.000010 LBFGSLineSearch: 22 14:21:02 -71.816456 0.000009 Minimization converged after 22 steps. Pressure: 1.122462048309373 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:21:10 -71.715924 0.007181 LBFGSLineSearch: 1 14:21:13 -71.715943 0.002592 LBFGSLineSearch: 2 14:21:13 -71.715945 0.001857 LBFGSLineSearch: 3 14:21:15 -71.715946 0.002419 LBFGSLineSearch: 4 14:21:17 -71.715948 0.001067 LBFGSLineSearch: 5 14:21:19 -71.715948 0.000606 LBFGSLineSearch: 6 14:21:20 -71.715948 0.000612 LBFGSLineSearch: 7 14:21:22 -71.715948 0.000600 LBFGSLineSearch: 8 14:21:24 -71.715948 0.000630 LBFGSLineSearch: 9 14:21:25 -71.715949 0.000343 LBFGSLineSearch: 10 14:21:27 -71.715949 0.000341 LBFGSLineSearch: 11 14:21:32 -71.715949 0.000330 LBFGSLineSearch: 12 14:21:37 -71.715949 0.000238 LBFGSLineSearch: 13 14:21:38 -71.715949 0.000093 LBFGSLineSearch: 14 14:21:39 -71.715949 0.000047 LBFGSLineSearch: 15 14:21:42 -71.715949 0.000041 LBFGSLineSearch: 16 14:21:46 -71.715949 0.000024 LBFGSLineSearch: 17 14:21:48 -71.715949 0.000023 LBFGSLineSearch: 18 14:21:50 -71.715949 0.000022 LBFGSLineSearch: 19 14:21:53 -71.715949 0.000015 LBFGSLineSearch: 20 14:21:56 -71.715949 0.000004 Minimization converged after 20 steps. Pressure: 1.259921049894873 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:22:04 -71.603160 0.008058 LBFGSLineSearch: 1 14:22:06 -71.603184 0.002906 LBFGSLineSearch: 2 14:22:08 -71.603187 0.002088 LBFGSLineSearch: 3 14:22:10 -71.603189 0.002715 LBFGSLineSearch: 4 14:22:11 -71.603190 0.001208 LBFGSLineSearch: 5 14:22:16 -71.603191 0.000683 LBFGSLineSearch: 6 14:22:17 -71.603191 0.000692 LBFGSLineSearch: 7 14:22:19 -71.603191 0.000679 LBFGSLineSearch: 8 14:22:20 -71.603191 0.000715 LBFGSLineSearch: 9 14:22:23 -71.603191 0.000387 LBFGSLineSearch: 10 14:22:24 -71.603191 0.000385 LBFGSLineSearch: 11 14:22:26 -71.603191 0.000368 LBFGSLineSearch: 12 14:22:30 -71.603191 0.000269 LBFGSLineSearch: 13 14:22:30 -71.603191 0.000107 LBFGSLineSearch: 14 14:22:32 -71.603191 0.000049 LBFGSLineSearch: 15 14:22:33 -71.603191 0.000038 LBFGSLineSearch: 16 14:22:34 -71.603191 0.000028 LBFGSLineSearch: 17 14:22:34 -71.603191 0.000026 LBFGSLineSearch: 18 14:22:34 -71.603191 0.000019 LBFGSLineSearch: 19 14:22:35 -71.603191 0.000016 LBFGSLineSearch: 20 14:22:35 -71.603191 0.000004 Minimization converged after 20 steps. Pressure: 1.414213562373095 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:22:43 -71.476660 0.009040 LBFGSLineSearch: 1 14:22:45 -71.476691 0.003256 LBFGSLineSearch: 2 14:22:46 -71.476694 0.002342 LBFGSLineSearch: 3 14:22:47 -71.476696 0.003049 LBFGSLineSearch: 4 14:22:51 -71.476698 0.001359 LBFGSLineSearch: 5 14:22:54 -71.476699 0.000772 LBFGSLineSearch: 6 14:22:56 -71.476699 0.000782 LBFGSLineSearch: 7 14:22:57 -71.476699 0.000769 LBFGSLineSearch: 8 14:22:58 -71.476699 0.000815 LBFGSLineSearch: 9 14:23:00 -71.476699 0.000435 LBFGSLineSearch: 10 14:23:01 -71.476699 0.000435 LBFGSLineSearch: 11 14:23:02 -71.476699 0.000411 LBFGSLineSearch: 12 14:23:03 -71.476699 0.000304 LBFGSLineSearch: 13 14:23:06 -71.476699 0.000123 LBFGSLineSearch: 14 14:23:09 -71.476699 0.000059 LBFGSLineSearch: 15 14:23:11 -71.476699 0.000053 LBFGSLineSearch: 16 14:23:14 -71.476699 0.000031 LBFGSLineSearch: 17 14:23:17 -71.476699 0.000030 LBFGSLineSearch: 18 14:23:19 -71.476699 0.000019 LBFGSLineSearch: 19 14:23:21 -71.476699 0.000019 LBFGSLineSearch: 20 14:23:23 -71.476699 0.000005 Minimization converged after 20 steps. Pressure: 1.5874010519681994 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:23:32 -71.334761 0.010141 LBFGSLineSearch: 1 14:23:35 -71.334799 0.003648 LBFGSLineSearch: 2 14:23:36 -71.334803 0.002629 LBFGSLineSearch: 3 14:23:38 -71.334806 0.003423 LBFGSLineSearch: 4 14:23:41 -71.334808 0.001531 LBFGSLineSearch: 5 14:23:43 -71.334809 0.000872 LBFGSLineSearch: 6 14:23:44 -71.334809 0.000885 LBFGSLineSearch: 7 14:23:46 -71.334809 0.000873 LBFGSLineSearch: 8 14:23:49 -71.334809 0.000932 LBFGSLineSearch: 9 14:23:51 -71.334810 0.000489 LBFGSLineSearch: 10 14:23:54 -71.334810 0.000491 LBFGSLineSearch: 11 14:23:57 -71.334810 0.000459 LBFGSLineSearch: 12 14:24:00 -71.334810 0.000344 LBFGSLineSearch: 13 14:24:03 -71.334810 0.000142 LBFGSLineSearch: 14 14:24:05 -71.334810 0.000071 LBFGSLineSearch: 15 14:24:08 -71.334810 0.000059 LBFGSLineSearch: 16 14:24:10 -71.334810 0.000051 LBFGSLineSearch: 17 14:24:13 -71.334810 0.000038 LBFGSLineSearch: 18 14:24:17 -71.334810 0.000034 LBFGSLineSearch: 19 14:24:20 -71.334810 0.000018 LBFGSLineSearch: 20 14:24:23 -71.334810 0.000019 LBFGSLineSearch: 21 14:24:26 -71.334810 0.000006 Minimization converged after 21 steps. Pressure: 1.7817974362806783 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:24:34 -71.175600 0.011375 LBFGSLineSearch: 1 14:24:38 -71.175647 0.004085 LBFGSLineSearch: 2 14:24:39 -71.175652 0.002950 LBFGSLineSearch: 3 14:24:42 -71.175656 0.003844 LBFGSLineSearch: 4 14:24:44 -71.175659 0.001723 LBFGSLineSearch: 5 14:24:46 -71.175660 0.000986 LBFGSLineSearch: 6 14:24:46 -71.175660 0.001004 LBFGSLineSearch: 7 14:24:52 -71.175660 0.000992 LBFGSLineSearch: 8 14:24:53 -71.175661 0.001065 LBFGSLineSearch: 9 14:24:55 -71.175661 0.000551 LBFGSLineSearch: 10 14:24:57 -71.175661 0.000556 LBFGSLineSearch: 11 14:24:59 -71.175661 0.000511 LBFGSLineSearch: 12 14:25:00 -71.175661 0.000390 LBFGSLineSearch: 13 14:25:02 -71.175661 0.000164 LBFGSLineSearch: 14 14:25:04 -71.175661 0.000085 LBFGSLineSearch: 15 14:25:07 -71.175661 0.000082 LBFGSLineSearch: 16 14:25:11 -71.175661 0.000067 LBFGSLineSearch: 17 14:25:14 -71.175661 0.000042 LBFGSLineSearch: 18 14:25:17 -71.175661 0.000038 LBFGSLineSearch: 19 14:25:19 -71.175661 0.000040 LBFGSLineSearch: 20 14:25:21 -71.175661 0.000015 LBFGSLineSearch: 21 14:25:22 -71.175661 0.000019 LBFGSLineSearch: 22 14:25:24 -71.175661 0.000007 Minimization converged after 22 steps. Pressure: 2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:25:32 -70.997092 0.012759 LBFGSLineSearch: 1 14:25:37 -70.997152 0.004573 LBFGSLineSearch: 2 14:25:40 -70.997158 0.003311 LBFGSLineSearch: 3 14:25:44 -70.997162 0.004318 LBFGSLineSearch: 4 14:25:46 -70.997166 0.001942 LBFGSLineSearch: 5 14:25:48 -70.997168 0.001116 LBFGSLineSearch: 6 14:25:50 -70.997168 0.001139 LBFGSLineSearch: 7 14:25:53 -70.997168 0.001129 LBFGSLineSearch: 8 14:25:56 -70.997169 0.001220 LBFGSLineSearch: 9 14:26:00 -70.997169 0.000621 LBFGSLineSearch: 10 14:26:03 -70.997169 0.000629 LBFGSLineSearch: 11 14:26:06 -70.997169 0.000568 LBFGSLineSearch: 12 14:26:09 -70.997170 0.000443 LBFGSLineSearch: 13 14:26:12 -70.997170 0.000190 LBFGSLineSearch: 14 14:26:15 -70.997170 0.000083 LBFGSLineSearch: 15 14:26:16 -70.997170 0.000101 LBFGSLineSearch: 16 14:26:17 -70.997170 0.000062 LBFGSLineSearch: 17 14:26:19 -70.997170 0.000055 LBFGSLineSearch: 18 14:26:22 -70.997170 0.000050 LBFGSLineSearch: 19 14:26:24 -70.997170 0.000045 LBFGSLineSearch: 20 14:26:26 -70.997170 0.000041 LBFGSLineSearch: 21 14:26:29 -70.997170 0.000022 LBFGSLineSearch: 22 14:26:32 -70.997170 0.000016 LBFGSLineSearch: 23 14:26:34 -70.997170 0.000008 Minimization converged after 23 steps. Pressure: 2.2449240966187456 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:26:42 -70.796906 0.014309 LBFGSLineSearch: 1 14:26:43 -70.796981 0.005117 LBFGSLineSearch: 2 14:26:46 -70.796989 0.003714 LBFGSLineSearch: 3 14:26:48 -70.796995 0.004850 LBFGSLineSearch: 4 14:26:50 -70.797000 0.002187 LBFGSLineSearch: 5 14:26:54 -70.797001 0.001265 LBFGSLineSearch: 6 14:26:55 -70.797002 0.001294 LBFGSLineSearch: 7 14:26:58 -70.797002 0.001288 LBFGSLineSearch: 8 14:27:00 -70.797002 0.001403 LBFGSLineSearch: 9 14:27:02 -70.797003 0.000700 LBFGSLineSearch: 10 14:27:04 -70.797003 0.000712 LBFGSLineSearch: 11 14:27:07 -70.797003 0.000631 LBFGSLineSearch: 12 14:27:10 -70.797004 0.000503 LBFGSLineSearch: 13 14:27:13 -70.797004 0.000205 LBFGSLineSearch: 14 14:27:17 -70.797004 0.000220 LBFGSLineSearch: 15 14:27:19 -70.797004 0.000101 LBFGSLineSearch: 16 14:27:22 -70.797004 0.000089 LBFGSLineSearch: 17 14:27:25 -70.797004 0.000064 LBFGSLineSearch: 18 14:27:28 -70.797004 0.000053 LBFGSLineSearch: 19 14:27:31 -70.797004 0.000054 LBFGSLineSearch: 20 14:27:34 -70.797004 0.000028 LBFGSLineSearch: 21 14:27:37 -70.797004 0.000009 Minimization converged after 21 steps. Pressure: 2.519842099789746 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:27:44 -70.572434 0.016047 LBFGSLineSearch: 1 14:27:47 -70.572528 0.005723 LBFGSLineSearch: 2 14:27:49 -70.572538 0.004169 LBFGSLineSearch: 3 14:27:51 -70.572545 0.005447 LBFGSLineSearch: 4 14:27:53 -70.572551 0.002469 LBFGSLineSearch: 5 14:27:55 -70.572553 0.001436 LBFGSLineSearch: 6 14:27:56 -70.572554 0.001473 LBFGSLineSearch: 7 14:28:00 -70.572554 0.001472 LBFGSLineSearch: 8 14:28:02 -70.572555 0.001606 LBFGSLineSearch: 9 14:28:04 -70.572555 0.000792 LBFGSLineSearch: 10 14:28:06 -70.572556 0.000804 LBFGSLineSearch: 11 14:28:09 -70.572556 0.000695 LBFGSLineSearch: 12 14:28:12 -70.572556 0.000573 LBFGSLineSearch: 13 14:28:15 -70.572556 0.000235 LBFGSLineSearch: 14 14:28:16 -70.572556 0.000226 LBFGSLineSearch: 15 14:28:19 -70.572556 0.000236 LBFGSLineSearch: 16 14:28:20 -70.572556 0.000105 LBFGSLineSearch: 17 14:28:21 -70.572556 0.000119 LBFGSLineSearch: 18 14:28:24 -70.572556 0.000088 LBFGSLineSearch: 19 14:28:26 -70.572556 0.000079 LBFGSLineSearch: 20 14:28:29 -70.572556 0.000064 LBFGSLineSearch: 21 14:28:31 -70.572556 0.000058 LBFGSLineSearch: 22 14:28:34 -70.572556 0.000054 LBFGSLineSearch: 23 14:28:36 -70.572556 0.000021 LBFGSLineSearch: 24 14:28:38 -70.572556 0.000010 LBFGSLineSearch: 25 14:28:41 -70.572556 0.000007 Minimization converged after 25 steps. Pressure: 2.8284271247461894 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:28:50 -70.320759 0.017988 LBFGSLineSearch: 1 14:28:53 -70.320877 0.006399 LBFGSLineSearch: 2 14:28:54 -70.320889 0.004666 LBFGSLineSearch: 3 14:28:57 -70.320898 0.006107 LBFGSLineSearch: 4 14:29:01 -70.320906 0.002800 LBFGSLineSearch: 5 14:29:04 -70.320909 0.001634 LBFGSLineSearch: 6 14:29:06 -70.320909 0.001681 LBFGSLineSearch: 7 14:29:08 -70.320910 0.001688 LBFGSLineSearch: 8 14:29:11 -70.320911 0.001830 LBFGSLineSearch: 9 14:29:14 -70.320912 0.000900 LBFGSLineSearch: 10 14:29:16 -70.320912 0.000906 LBFGSLineSearch: 11 14:29:20 -70.320912 0.000759 LBFGSLineSearch: 12 14:29:23 -70.320913 0.000652 LBFGSLineSearch: 13 14:29:25 -70.320913 0.000277 LBFGSLineSearch: 14 14:29:28 -70.320913 0.000268 LBFGSLineSearch: 15 14:29:31 -70.320913 0.000276 LBFGSLineSearch: 16 14:29:31 -70.320913 0.000126 LBFGSLineSearch: 17 14:29:34 -70.320913 0.000119 LBFGSLineSearch: 18 14:29:36 -70.320913 0.000091 LBFGSLineSearch: 19 14:29:38 -70.320913 0.000074 LBFGSLineSearch: 20 14:29:39 -70.320913 0.000082 LBFGSLineSearch: 21 14:29:41 -70.320913 0.000071 LBFGSLineSearch: 22 14:29:44 -70.320913 0.000059 LBFGSLineSearch: 23 14:29:46 -70.320913 0.000024 LBFGSLineSearch: 24 14:29:49 -70.320913 0.000012 LBFGSLineSearch: 25 14:29:51 -70.320913 0.000012 LBFGSLineSearch: 26 14:29:55 -70.320913 0.000000 Minimization converged after 26 steps. Pressure: 3.1748021039363987 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:30:02 -70.038624 0.020164 LBFGSLineSearch: 1 14:30:05 -70.038772 0.007154 LBFGSLineSearch: 2 14:30:07 -70.038787 0.005249 LBFGSLineSearch: 3 14:30:10 -70.038798 0.006877 LBFGSLineSearch: 4 14:30:13 -70.038808 0.003144 LBFGSLineSearch: 5 14:30:16 -70.038812 0.001857 LBFGSLineSearch: 6 14:30:18 -70.038812 0.001919 LBFGSLineSearch: 7 14:30:20 -70.038813 0.001938 LBFGSLineSearch: 8 14:30:23 -70.038814 0.002127 LBFGSLineSearch: 9 14:30:25 -70.038815 0.001018 LBFGSLineSearch: 10 14:30:27 -70.038816 0.001027 LBFGSLineSearch: 11 14:30:30 -70.038816 0.000834 LBFGSLineSearch: 12 14:30:34 -70.038816 0.000747 LBFGSLineSearch: 13 14:30:36 -70.038817 0.000330 LBFGSLineSearch: 14 14:30:37 -70.038817 0.000319 LBFGSLineSearch: 15 14:30:40 -70.038817 0.000326 LBFGSLineSearch: 16 14:30:44 -70.038817 0.000143 LBFGSLineSearch: 17 14:30:46 -70.038817 0.000095 LBFGSLineSearch: 18 14:30:48 -70.038817 0.000088 LBFGSLineSearch: 19 14:30:51 -70.038817 0.000088 LBFGSLineSearch: 20 14:30:53 -70.038817 0.000043 LBFGSLineSearch: 21 14:30:55 -70.038817 0.000015 LBFGSLineSearch: 22 14:30:56 -70.038817 0.000012 LBFGSLineSearch: 23 14:30:59 -70.038817 0.000000 Minimization converged after 23 steps. Pressure: 3.563594872561357 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:31:07 -69.722390 0.022602 LBFGSLineSearch: 1 14:31:09 -69.722575 0.007992 LBFGSLineSearch: 2 14:31:09 -69.722593 0.005889 LBFGSLineSearch: 3 14:31:11 -69.722607 0.007730 LBFGSLineSearch: 4 14:31:13 -69.722619 0.003554 LBFGSLineSearch: 5 14:31:17 -69.722624 0.002119 LBFGSLineSearch: 6 14:31:19 -69.722625 0.002199 LBFGSLineSearch: 7 14:31:21 -69.722626 0.002237 LBFGSLineSearch: 8 14:31:25 -69.722628 0.002421 LBFGSLineSearch: 9 14:31:29 -69.722630 0.001165 LBFGSLineSearch: 10 14:31:30 -69.722630 0.001162 LBFGSLineSearch: 11 14:31:32 -69.722630 0.000975 LBFGSLineSearch: 12 14:31:36 -69.722631 0.000857 LBFGSLineSearch: 13 14:31:39 -69.722631 0.000398 LBFGSLineSearch: 14 14:31:41 -69.722631 0.000385 LBFGSLineSearch: 15 14:31:45 -69.722631 0.000383 LBFGSLineSearch: 16 14:31:47 -69.722631 0.000171 LBFGSLineSearch: 17 14:31:49 -69.722631 0.000115 LBFGSLineSearch: 18 14:31:52 -69.722631 0.000106 LBFGSLineSearch: 19 14:31:55 -69.722631 0.000092 LBFGSLineSearch: 20 14:31:57 -69.722631 0.000049 LBFGSLineSearch: 21 14:32:00 -69.722631 0.000017 LBFGSLineSearch: 22 14:32:04 -69.722631 0.000018 LBFGSLineSearch: 23 14:32:07 -69.722631 0.000000 Minimization converged after 23 steps. Pressure: 3.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:32:15 -69.367995 0.025331 LBFGSLineSearch: 1 14:32:19 -69.368226 0.008921 LBFGSLineSearch: 2 14:32:20 -69.368249 0.006606 LBFGSLineSearch: 3 14:32:21 -69.368266 0.008692 LBFGSLineSearch: 4 14:32:23 -69.368282 0.004019 LBFGSLineSearch: 5 14:32:26 -69.368288 0.002423 LBFGSLineSearch: 6 14:32:27 -69.368289 0.002527 LBFGSLineSearch: 7 14:32:29 -69.368290 0.002591 LBFGSLineSearch: 8 14:32:32 -69.368293 0.002700 LBFGSLineSearch: 9 14:32:35 -69.368296 0.001586 LBFGSLineSearch: 10 14:32:37 -69.368296 0.001342 LBFGSLineSearch: 11 14:32:41 -69.368297 0.001180 LBFGSLineSearch: 12 14:32:43 -69.368297 0.001003 LBFGSLineSearch: 13 14:32:45 -69.368298 0.000484 LBFGSLineSearch: 14 14:32:47 -69.368298 0.000470 LBFGSLineSearch: 15 14:32:49 -69.368298 0.000446 LBFGSLineSearch: 16 14:32:50 -69.368298 0.000205 LBFGSLineSearch: 17 14:32:53 -69.368298 0.000139 LBFGSLineSearch: 18 14:32:55 -69.368298 0.000130 LBFGSLineSearch: 19 14:32:58 -69.368298 0.000113 LBFGSLineSearch: 20 14:32:58 -69.368298 0.000142 LBFGSLineSearch: 21 14:33:00 -69.368298 0.000055 LBFGSLineSearch: 22 14:33:03 -69.368298 0.000039 LBFGSLineSearch: 23 14:33:07 -69.368298 0.000020 LBFGSLineSearch: 24 14:33:09 -69.368298 0.000003 Minimization converged after 24 steps. Pressure: 4.48984819323749 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:33:17 -68.970911 0.028386 LBFGSLineSearch: 1 14:33:20 -68.971199 0.009947 LBFGSLineSearch: 2 14:33:22 -68.971228 0.007402 LBFGSLineSearch: 3 14:33:25 -68.971249 0.009766 LBFGSLineSearch: 4 14:33:27 -68.971269 0.004554 LBFGSLineSearch: 5 14:33:29 -68.971277 0.002776 LBFGSLineSearch: 6 14:33:31 -68.971278 0.002912 LBFGSLineSearch: 7 14:33:35 -68.971279 0.003017 LBFGSLineSearch: 8 14:33:37 -68.971283 0.002983 LBFGSLineSearch: 9 14:33:39 -68.971287 0.002146 LBFGSLineSearch: 10 14:33:40 -68.971288 0.001584 LBFGSLineSearch: 11 14:33:43 -68.971288 0.001356 LBFGSLineSearch: 12 14:33:45 -68.971289 0.001196 LBFGSLineSearch: 13 14:33:48 -68.971290 0.000584 LBFGSLineSearch: 14 14:33:49 -68.971290 0.000579 LBFGSLineSearch: 15 14:33:52 -68.971290 0.000523 LBFGSLineSearch: 16 14:33:55 -68.971290 0.000249 LBFGSLineSearch: 17 14:33:57 -68.971290 0.000171 LBFGSLineSearch: 18 14:33:58 -68.971290 0.000159 LBFGSLineSearch: 19 14:34:00 -68.971290 0.000146 LBFGSLineSearch: 20 14:34:03 -68.971290 0.000211 LBFGSLineSearch: 21 14:34:05 -68.971290 0.000060 LBFGSLineSearch: 22 14:34:08 -68.971290 0.000026 LBFGSLineSearch: 23 14:34:11 -68.971290 0.000024 LBFGSLineSearch: 24 14:34:12 -68.971290 0.000005 Minimization converged after 24 steps. Pressure: 5.039684199579493 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:34:20 -68.526088 0.031802 LBFGSLineSearch: 1 14:34:23 -68.526448 0.011096 LBFGSLineSearch: 2 14:34:26 -68.526483 0.008304 LBFGSLineSearch: 3 14:34:29 -68.526510 0.010993 LBFGSLineSearch: 4 14:34:32 -68.526535 0.005164 LBFGSLineSearch: 5 14:34:34 -68.526546 0.003193 LBFGSLineSearch: 6 14:34:35 -68.526547 0.003370 LBFGSLineSearch: 7 14:34:37 -68.526549 0.003533 LBFGSLineSearch: 8 14:34:40 -68.526555 0.003275 LBFGSLineSearch: 9 14:34:41 -68.526559 0.002926 LBFGSLineSearch: 10 14:34:42 -68.526560 0.001911 LBFGSLineSearch: 11 14:34:43 -68.526561 0.001417 LBFGSLineSearch: 12 14:34:45 -68.526562 0.001720 LBFGSLineSearch: 13 14:34:49 -68.526563 0.001442 LBFGSLineSearch: 14 14:34:52 -68.526563 0.000739 LBFGSLineSearch: 15 14:34:53 -68.526563 0.000324 LBFGSLineSearch: 16 14:34:54 -68.526563 0.000304 LBFGSLineSearch: 17 14:34:58 -68.526563 0.000299 LBFGSLineSearch: 18 14:35:01 -68.526564 0.000205 LBFGSLineSearch: 19 14:35:03 -68.526564 0.000178 LBFGSLineSearch: 20 14:35:05 -68.526564 0.000070 LBFGSLineSearch: 21 14:35:07 -68.526564 0.000067 LBFGSLineSearch: 22 14:35:10 -68.526564 0.000030 LBFGSLineSearch: 23 14:35:14 -68.526564 0.000028 LBFGSLineSearch: 24 14:35:16 -68.526564 0.000005 Minimization converged after 24 steps. Pressure: 5.65685424949238 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:35:24 -68.027908 0.035621 LBFGSLineSearch: 1 14:35:27 -68.028355 0.012349 LBFGSLineSearch: 2 14:35:28 -68.028400 0.009306 LBFGSLineSearch: 3 14:35:30 -68.028433 0.012375 LBFGSLineSearch: 4 14:35:33 -68.028464 0.005850 LBFGSLineSearch: 5 14:35:35 -68.028478 0.003683 LBFGSLineSearch: 6 14:35:38 -68.028480 0.003917 LBFGSLineSearch: 7 14:35:40 -68.028483 0.004167 LBFGSLineSearch: 8 14:35:43 -68.028491 0.003523 LBFGSLineSearch: 9 14:35:46 -68.028496 0.003496 LBFGSLineSearch: 10 14:35:50 -68.028499 0.001817 LBFGSLineSearch: 11 14:35:52 -68.028501 0.001541 LBFGSLineSearch: 12 14:35:55 -68.028502 0.002015 LBFGSLineSearch: 13 14:35:58 -68.028503 0.001038 LBFGSLineSearch: 14 14:36:00 -68.028503 0.000436 LBFGSLineSearch: 15 14:36:01 -68.028503 0.000383 LBFGSLineSearch: 16 14:36:04 -68.028503 0.000380 LBFGSLineSearch: 17 14:36:06 -68.028504 0.000262 LBFGSLineSearch: 18 14:36:08 -68.028504 0.000237 LBFGSLineSearch: 19 14:36:11 -68.028504 0.000096 LBFGSLineSearch: 20 14:36:13 -68.028504 0.000093 LBFGSLineSearch: 21 14:36:14 -68.028504 0.000039 LBFGSLineSearch: 22 14:36:16 -68.028504 0.000034 LBFGSLineSearch: 23 14:36:18 -68.028504 0.000031 LBFGSLineSearch: 24 14:36:21 -68.028504 0.000008 Minimization converged after 24 steps. Pressure: 6.349604207872797 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:36:28 -67.470118 0.039890 LBFGSLineSearch: 1 14:36:31 -67.470675 0.013734 LBFGSLineSearch: 2 14:36:33 -67.470730 0.010423 LBFGSLineSearch: 3 14:36:36 -67.470771 0.013930 LBFGSLineSearch: 4 14:36:38 -67.470810 0.006646 LBFGSLineSearch: 5 14:36:41 -67.470829 0.004265 LBFGSLineSearch: 6 14:36:43 -67.470832 0.004576 LBFGSLineSearch: 7 14:36:45 -67.470836 0.004954 LBFGSLineSearch: 8 14:36:47 -67.470848 0.003852 LBFGSLineSearch: 9 14:36:49 -67.470854 0.004153 LBFGSLineSearch: 10 14:36:52 -67.470859 0.002299 LBFGSLineSearch: 11 14:36:55 -67.470862 0.001955 LBFGSLineSearch: 12 14:36:57 -67.470863 0.001875 LBFGSLineSearch: 13 14:37:00 -67.470864 0.002326 LBFGSLineSearch: 14 14:37:03 -67.470865 0.001120 LBFGSLineSearch: 15 14:37:06 -67.470865 0.000468 LBFGSLineSearch: 16 14:37:09 -67.470865 0.000486 LBFGSLineSearch: 17 14:37:13 -67.470866 0.000334 LBFGSLineSearch: 18 14:37:17 -67.470866 0.000241 LBFGSLineSearch: 19 14:37:20 -67.470866 0.000379 LBFGSLineSearch: 20 14:37:23 -67.470866 0.000109 LBFGSLineSearch: 21 14:37:26 -67.470866 0.000040 LBFGSLineSearch: 22 14:37:28 -67.470866 0.000040 LBFGSLineSearch: 23 14:37:31 -67.470866 0.000039 LBFGSLineSearch: 24 14:37:32 -67.470866 0.000016 LBFGSLineSearch: 25 14:37:34 -67.470866 0.000001 Minimization converged after 25 steps. Pressure: 7.1271897451227115 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:37:44 -66.845777 0.044649 LBFGSLineSearch: 1 14:37:48 -66.846469 0.015249 LBFGSLineSearch: 2 14:37:52 -66.846536 0.011662 LBFGSLineSearch: 3 14:37:55 -66.846588 0.015679 LBFGSLineSearch: 4 14:38:01 -66.846636 0.007546 LBFGSLineSearch: 5 14:38:05 -66.846661 0.004959 LBFGSLineSearch: 6 14:38:09 -66.846665 0.005376 LBFGSLineSearch: 7 14:38:14 -66.846671 0.005947 LBFGSLineSearch: 8 14:38:19 -66.846690 0.004676 LBFGSLineSearch: 9 14:38:23 -66.846698 0.004988 LBFGSLineSearch: 10 14:38:28 -66.846706 0.002985 LBFGSLineSearch: 11 14:38:34 -66.846711 0.003096 LBFGSLineSearch: 12 14:38:38 -66.846715 0.001782 LBFGSLineSearch: 13 14:38:42 -66.846715 0.001781 LBFGSLineSearch: 14 14:38:45 -66.846716 0.000634 LBFGSLineSearch: 15 14:38:49 -66.846716 0.000579 LBFGSLineSearch: 16 14:38:52 -66.846716 0.000470 LBFGSLineSearch: 17 14:38:55 -66.846716 0.000383 LBFGSLineSearch: 18 14:39:00 -66.846716 0.000332 LBFGSLineSearch: 19 14:39:04 -66.846716 0.000290 LBFGSLineSearch: 20 14:39:08 -66.846716 0.000086 LBFGSLineSearch: 21 14:39:12 -66.846716 0.000045 LBFGSLineSearch: 22 14:39:16 -66.846716 0.000048 LBFGSLineSearch: 23 14:39:20 -66.846716 0.000002 Minimization converged after 23 steps. Pressure: 7.999999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:39:29 -66.147187 0.049966 LBFGSLineSearch: 1 14:39:35 -66.148046 0.016899 LBFGSLineSearch: 2 14:39:42 -66.148128 0.013016 LBFGSLineSearch: 3 14:39:46 -66.148192 0.017623 LBFGSLineSearch: 4 14:39:50 -66.148252 0.008576 LBFGSLineSearch: 5 14:39:56 -66.148285 0.005791 LBFGSLineSearch: 6 14:40:01 -66.148291 0.006358 LBFGSLineSearch: 7 14:40:05 -66.148300 0.007222 LBFGSLineSearch: 8 14:40:11 -66.148330 0.005807 LBFGSLineSearch: 9 14:40:16 -66.148341 0.006130 LBFGSLineSearch: 10 14:40:22 -66.148355 0.003990 LBFGSLineSearch: 11 14:40:28 -66.148364 0.003986 LBFGSLineSearch: 12 14:40:32 -66.148368 0.002445 LBFGSLineSearch: 13 14:40:35 -66.148369 0.001937 LBFGSLineSearch: 14 14:40:38 -66.148370 0.001453 LBFGSLineSearch: 15 14:40:40 -66.148370 0.000953 LBFGSLineSearch: 16 14:40:44 -66.148370 0.000796 LBFGSLineSearch: 17 14:40:47 -66.148370 0.000819 LBFGSLineSearch: 18 14:40:51 -66.148371 0.000604 LBFGSLineSearch: 19 14:40:57 -66.148371 0.000483 LBFGSLineSearch: 20 14:41:01 -66.148371 0.000582 LBFGSLineSearch: 21 14:41:04 -66.148371 0.000296 LBFGSLineSearch: 22 14:41:08 -66.148371 0.000341 LBFGSLineSearch: 23 14:41:15 -66.148371 0.000230 LBFGSLineSearch: 24 14:41:18 -66.148371 0.000079 LBFGSLineSearch: 25 14:41:24 -66.148371 0.000054 LBFGSLineSearch: 26 14:41:28 -66.148371 0.000050 LBFGSLineSearch: 27 14:41:33 -66.148371 0.000000 Minimization converged after 27 steps. Pressure: 8.979696386474982 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:41:41 -65.365836 0.055895 LBFGSLineSearch: 1 14:41:47 -65.366900 0.018694 LBFGSLineSearch: 2 14:41:52 -65.367000 0.014544 LBFGSLineSearch: 3 14:41:57 -65.367080 0.019806 LBFGSLineSearch: 4 14:42:01 -65.367154 0.009743 LBFGSLineSearch: 5 14:42:05 -65.367198 0.006793 LBFGSLineSearch: 6 14:42:08 -65.367207 0.007573 LBFGSLineSearch: 7 14:42:13 -65.367221 0.008887 LBFGSLineSearch: 8 14:42:17 -65.367270 0.007427 LBFGSLineSearch: 9 14:42:22 -65.367287 0.008280 LBFGSLineSearch: 10 14:42:25 -65.367309 0.005528 LBFGSLineSearch: 11 14:42:28 -65.367328 0.005162 LBFGSLineSearch: 12 14:42:33 -65.367332 0.003756 LBFGSLineSearch: 13 14:42:37 -65.367337 0.001640 LBFGSLineSearch: 14 14:42:41 -65.367338 0.001262 LBFGSLineSearch: 15 14:42:46 -65.367338 0.000943 LBFGSLineSearch: 16 14:42:50 -65.367338 0.000813 LBFGSLineSearch: 17 14:42:54 -65.367338 0.000777 LBFGSLineSearch: 18 14:42:59 -65.367339 0.000994 LBFGSLineSearch: 19 14:43:04 -65.367339 0.000772 LBFGSLineSearch: 20 14:43:10 -65.367339 0.000659 LBFGSLineSearch: 21 14:43:13 -65.367339 0.000384 LBFGSLineSearch: 22 14:43:17 -65.367339 0.000141 LBFGSLineSearch: 23 14:43:20 -65.367339 0.000084 LBFGSLineSearch: 24 14:43:25 -65.367339 0.000057 LBFGSLineSearch: 25 14:43:31 -65.367339 0.000050 LBFGSLineSearch: 26 14:43:37 -65.367339 0.000013 LBFGSLineSearch: 27 14:43:43 -65.367339 0.000000 Minimization converged after 27 steps. Pressure: 10.079368399158982 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:43:53 -64.492356 0.062499 LBFGSLineSearch: 1 14:44:00 -64.493672 0.020604 LBFGSLineSearch: 2 14:44:05 -64.493793 0.016174 LBFGSLineSearch: 3 14:44:09 -64.493889 0.022187 LBFGSLineSearch: 4 14:44:15 -64.493980 0.011106 LBFGSLineSearch: 5 14:44:22 -64.494040 0.008025 LBFGSLineSearch: 6 14:44:26 -64.494054 0.009133 LBFGSLineSearch: 7 14:44:31 -64.494077 0.011201 LBFGSLineSearch: 8 14:44:37 -64.494161 0.009697 LBFGSLineSearch: 9 14:44:40 -64.494186 0.010214 LBFGSLineSearch: 10 14:44:45 -64.494217 0.008570 LBFGSLineSearch: 11 14:44:50 -64.494240 0.008239 LBFGSLineSearch: 12 14:44:55 -64.494272 0.008173 LBFGSLineSearch: 13 14:45:00 -64.494286 0.005330 LBFGSLineSearch: 14 14:45:05 -64.494294 0.003400 LBFGSLineSearch: 15 14:45:11 -64.494297 0.001755 LBFGSLineSearch: 16 14:45:15 -64.494297 0.001851 LBFGSLineSearch: 17 14:45:18 -64.494298 0.001880 LBFGSLineSearch: 18 14:45:23 -64.494298 0.001734 LBFGSLineSearch: 19 14:45:28 -64.494299 0.001090 LBFGSLineSearch: 20 14:45:34 -64.494300 0.001153 LBFGSLineSearch: 21 14:45:39 -64.494301 0.000948 LBFGSLineSearch: 22 14:45:44 -64.494301 0.001020 LBFGSLineSearch: 23 14:45:50 -64.494301 0.000182 LBFGSLineSearch: 24 14:45:54 -64.494301 0.000140 LBFGSLineSearch: 25 14:45:58 -64.494301 0.000093 LBFGSLineSearch: 26 14:46:03 -64.494301 0.000050 LBFGSLineSearch: 27 14:46:07 -64.494301 0.000051 LBFGSLineSearch: 28 14:46:11 -64.494301 0.000049 LBFGSLineSearch: 29 14:46:17 -64.494301 0.000000 Minimization converged after 29 steps. Pressure: 11.31370849898476 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:46:28 -63.516578 0.069838 LBFGSLineSearch: 1 14:46:34 -63.518200 0.022586 LBFGSLineSearch: 2 14:46:40 -63.518345 0.017878 LBFGSLineSearch: 3 14:46:44 -63.518461 0.024918 LBFGSLineSearch: 4 14:46:47 -63.518573 0.012904 LBFGSLineSearch: 5 14:46:49 -63.518659 0.009671 LBFGSLineSearch: 6 14:46:51 -63.518683 0.011378 LBFGSLineSearch: 7 14:46:55 -63.518724 0.015406 LBFGSLineSearch: 8 14:47:00 -63.518890 0.014072 LBFGSLineSearch: 9 14:47:04 -63.518964 0.015548 LBFGSLineSearch: 10 14:47:11 -63.519051 0.016551 LBFGSLineSearch: 11 14:47:17 -63.519130 0.016617 LBFGSLineSearch: 12 14:47:21 -63.519197 0.014924 LBFGSLineSearch: 13 14:47:26 -63.519288 0.022360 LBFGSLineSearch: 14 14:47:31 -63.519463 0.014826 LBFGSLineSearch: 15 14:47:41 -63.525503 0.146535 LBFGSLineSearch: 16 14:47:48 -63.525517 0.150591 LBFGSLineSearch: 17 14:47:54 -63.531314 0.165582 LBFGSLineSearch: 18 14:47:58 -63.536459 0.110568 LBFGSLineSearch: 19 14:48:02 -63.542746 0.146844 LBFGSLineSearch: 20 14:48:07 -63.545512 0.118594 LBFGSLineSearch: 21 14:48:12 -63.549447 0.065127 LBFGSLineSearch: 22 14:48:17 -63.550740 0.054354 LBFGSLineSearch: 23 14:48:21 -63.551207 0.047320 LBFGSLineSearch: 24 14:48:26 -63.551557 0.043478 LBFGSLineSearch: 25 14:48:30 -63.551788 0.034618 LBFGSLineSearch: 26 14:48:37 -63.552790 0.056127 LBFGSLineSearch: 27 14:48:43 -63.553228 0.050948 LBFGSLineSearch: 28 14:48:46 -63.553801 0.031118 LBFGSLineSearch: 29 14:48:49 -63.553988 0.009527 LBFGSLineSearch: 30 14:48:52 -63.554016 0.005712 LBFGSLineSearch: 31 14:48:56 -63.554020 0.002459 LBFGSLineSearch: 32 14:49:00 -63.554022 0.002174 LBFGSLineSearch: 33 14:49:04 -63.554022 0.001917 LBFGSLineSearch: 34 14:49:10 -63.554026 0.000295 LBFGSLineSearch: 35 14:49:12 -63.554026 0.000017 LBFGSLineSearch: 36 14:49:17 -63.554026 0.000000 Minimization converged after 36 steps. Pressure: 12.699208415745593 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:49:27 -62.475240 0.077056 LBFGSLineSearch: 1 14:49:34 -62.477191 0.019315 LBFGSLineSearch: 2 14:49:38 -62.477286 0.013949 LBFGSLineSearch: 3 14:49:43 -62.477316 0.007808 LBFGSLineSearch: 4 14:49:46 -62.477330 0.005872 LBFGSLineSearch: 5 14:49:48 -62.477340 0.003865 LBFGSLineSearch: 6 14:49:50 -62.477344 0.003684 LBFGSLineSearch: 7 14:49:55 -62.477351 0.003795 LBFGSLineSearch: 8 14:50:00 -62.477364 0.005916 LBFGSLineSearch: 9 14:50:02 -62.477367 0.004505 LBFGSLineSearch: 10 14:50:06 -62.477369 0.003041 LBFGSLineSearch: 11 14:50:09 -62.477370 0.001610 LBFGSLineSearch: 12 14:50:12 -62.477371 0.001778 LBFGSLineSearch: 13 14:50:14 -62.477371 0.001829 LBFGSLineSearch: 14 14:50:18 -62.477372 0.001729 LBFGSLineSearch: 15 14:50:22 -62.477372 0.001235 LBFGSLineSearch: 16 14:50:26 -62.477373 0.001710 LBFGSLineSearch: 17 14:50:31 -62.477374 0.000970 LBFGSLineSearch: 18 14:50:34 -62.477375 0.000834 LBFGSLineSearch: 19 14:50:38 -62.477375 0.000673 LBFGSLineSearch: 20 14:50:41 -62.477375 0.000654 LBFGSLineSearch: 21 14:50:43 -62.477375 0.000597 LBFGSLineSearch: 22 14:50:48 -62.477375 0.000495 LBFGSLineSearch: 23 14:50:53 -62.477375 0.000450 LBFGSLineSearch: 24 14:50:56 -62.477375 0.000362 LBFGSLineSearch: 25 14:51:01 -62.477375 0.000319 LBFGSLineSearch: 26 14:51:07 -62.477375 0.000198 LBFGSLineSearch: 27 14:51:11 -62.477375 0.000147 LBFGSLineSearch: 28 14:51:13 -62.477375 0.000142 LBFGSLineSearch: 29 14:51:19 -62.477375 0.000010 LBFGSLineSearch: 30 14:51:24 -62.477375 0.000000 Minimization converged after 30 steps. Pressure: 14.254379490245425 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:51:33 -61.271249 0.086152 LBFGSLineSearch: 1 14:51:38 -61.273652 0.021285 LBFGSLineSearch: 2 14:51:42 -61.273765 0.015584 LBFGSLineSearch: 3 14:51:46 -61.273801 0.007173 LBFGSLineSearch: 4 14:51:51 -61.273816 0.005741 LBFGSLineSearch: 5 14:51:55 -61.273826 0.003893 LBFGSLineSearch: 6 14:51:59 -61.273830 0.003801 LBFGSLineSearch: 7 14:52:05 -61.273837 0.003806 LBFGSLineSearch: 8 14:52:10 -61.273850 0.006089 LBFGSLineSearch: 9 14:52:12 -61.273853 0.004604 LBFGSLineSearch: 10 14:52:15 -61.273855 0.003067 LBFGSLineSearch: 11 14:52:19 -61.273856 0.001440 LBFGSLineSearch: 12 14:52:22 -61.273857 0.001613 LBFGSLineSearch: 13 14:52:26 -61.273857 0.001742 LBFGSLineSearch: 14 14:52:30 -61.273857 0.001780 LBFGSLineSearch: 15 14:52:32 -61.273858 0.001213 LBFGSLineSearch: 16 14:52:36 -61.273858 0.001590 LBFGSLineSearch: 17 14:52:40 -61.273859 0.000974 LBFGSLineSearch: 18 14:52:43 -61.273860 0.000805 LBFGSLineSearch: 19 14:52:46 -61.273860 0.000659 LBFGSLineSearch: 20 14:52:48 -61.273860 0.000640 LBFGSLineSearch: 21 14:52:52 -61.273860 0.000579 LBFGSLineSearch: 22 14:52:57 -61.273860 0.000473 LBFGSLineSearch: 23 14:53:03 -61.273860 0.000440 LBFGSLineSearch: 24 14:53:06 -61.273860 0.000351 LBFGSLineSearch: 25 14:53:10 -61.273860 0.000313 LBFGSLineSearch: 26 14:53:14 -61.273861 0.000189 LBFGSLineSearch: 27 14:53:18 -61.273861 0.000146 LBFGSLineSearch: 28 14:53:21 -61.273861 0.000140 LBFGSLineSearch: 29 14:53:25 -61.273861 0.000031 LBFGSLineSearch: 30 14:53:30 -61.273861 0.000000 Minimization converged after 30 steps. Pressure: 15.999999999999993 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:53:38 -59.925863 0.096286 LBFGSLineSearch: 1 14:53:43 -59.928817 0.023424 LBFGSLineSearch: 2 14:53:48 -59.928950 0.017362 LBFGSLineSearch: 3 14:53:52 -59.928990 0.007732 LBFGSLineSearch: 4 14:53:57 -59.929006 0.005583 LBFGSLineSearch: 5 14:54:01 -59.929015 0.003627 LBFGSLineSearch: 6 14:54:06 -59.929019 0.003772 LBFGSLineSearch: 7 14:54:10 -59.929023 0.003652 LBFGSLineSearch: 8 14:54:14 -59.929026 0.003333 LBFGSLineSearch: 9 14:54:17 -59.929031 0.005217 LBFGSLineSearch: 10 14:54:22 -59.929039 0.003123 LBFGSLineSearch: 11 14:54:27 -59.929040 0.001388 LBFGSLineSearch: 12 14:54:29 -59.929040 0.001456 LBFGSLineSearch: 13 14:54:32 -59.929041 0.001458 LBFGSLineSearch: 14 14:54:35 -59.929041 0.001016 LBFGSLineSearch: 15 14:54:40 -59.929042 0.001083 LBFGSLineSearch: 16 14:54:45 -59.929043 0.000513 LBFGSLineSearch: 17 14:54:47 -59.929043 0.000488 LBFGSLineSearch: 18 14:54:52 -59.929043 0.000429 LBFGSLineSearch: 19 14:54:57 -59.929043 0.000379 LBFGSLineSearch: 20 14:55:01 -59.929043 0.000140 LBFGSLineSearch: 21 14:55:05 -59.929043 0.000083 LBFGSLineSearch: 22 14:55:11 -59.929043 0.000000 Minimization converged after 22 steps. Pressure: 17.959392772949965 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:55:20 -58.423064 0.107570 LBFGSLineSearch: 1 14:55:26 -58.426688 0.025751 LBFGSLineSearch: 2 14:55:29 -58.426843 0.018749 LBFGSLineSearch: 3 14:55:33 -58.426888 0.008249 LBFGSLineSearch: 4 14:55:38 -58.426904 0.005746 LBFGSLineSearch: 5 14:55:44 -58.426915 0.003471 LBFGSLineSearch: 6 14:55:49 -58.426918 0.003804 LBFGSLineSearch: 7 14:55:54 -58.426922 0.003577 LBFGSLineSearch: 8 14:55:59 -58.426925 0.003888 LBFGSLineSearch: 9 14:56:03 -58.426934 0.003677 LBFGSLineSearch: 10 14:56:07 -58.426936 0.003225 LBFGSLineSearch: 11 14:56:11 -58.426937 0.001445 LBFGSLineSearch: 12 14:56:15 -58.426938 0.001340 LBFGSLineSearch: 13 14:56:21 -58.426938 0.001050 LBFGSLineSearch: 14 14:56:28 -58.426939 0.001192 LBFGSLineSearch: 15 14:56:32 -58.426939 0.000900 LBFGSLineSearch: 16 14:56:37 -58.426940 0.000437 LBFGSLineSearch: 17 14:56:42 -58.426940 0.000314 LBFGSLineSearch: 18 14:56:47 -58.426940 0.000406 LBFGSLineSearch: 19 14:56:53 -58.426940 0.000129 LBFGSLineSearch: 20 14:56:58 -58.426940 0.000071 LBFGSLineSearch: 21 14:57:02 -58.426940 0.000000 Minimization converged after 21 steps. Pressure: 20.158736798317964 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:57:12 -56.745189 0.120125 LBFGSLineSearch: 1 14:57:17 -56.749624 0.028265 LBFGSLineSearch: 2 14:57:22 -56.749805 0.020268 LBFGSLineSearch: 3 14:57:25 -56.749856 0.008610 LBFGSLineSearch: 4 14:57:31 -56.749875 0.006160 LBFGSLineSearch: 5 14:57:37 -56.749886 0.003409 LBFGSLineSearch: 6 14:57:42 -56.749890 0.003868 LBFGSLineSearch: 7 14:57:46 -56.749894 0.003615 LBFGSLineSearch: 8 14:57:51 -56.749897 0.004046 LBFGSLineSearch: 9 14:57:57 -56.749906 0.003858 LBFGSLineSearch: 10 14:58:02 -56.749907 0.002525 LBFGSLineSearch: 11 14:58:07 -56.749909 0.001280 LBFGSLineSearch: 12 14:58:13 -56.749909 0.001072 LBFGSLineSearch: 13 14:58:18 -56.749910 0.000918 LBFGSLineSearch: 14 14:58:24 -56.749910 0.000950 LBFGSLineSearch: 15 14:58:28 -56.749910 0.000440 LBFGSLineSearch: 16 14:58:31 -56.749911 0.000414 LBFGSLineSearch: 17 14:58:35 -56.749911 0.000385 LBFGSLineSearch: 18 14:58:39 -56.749911 0.000284 LBFGSLineSearch: 19 14:58:45 -56.749911 0.000126 LBFGSLineSearch: 20 14:58:50 -56.749911 0.000064 LBFGSLineSearch: 21 14:58:53 -56.749911 0.000002 Minimization converged after 21 steps. Pressure: 22.62741699796951 GPa Step Time Energy fmax LBFGSLineSearch: 0 14:59:03 -54.872747 0.134084 LBFGSLineSearch: 1 14:59:09 -54.878160 0.030982 LBFGSLineSearch: 2 14:59:15 -54.878372 0.021881 LBFGSLineSearch: 3 14:59:20 -54.878429 0.008969 LBFGSLineSearch: 4 14:59:27 -54.878451 0.006586 LBFGSLineSearch: 5 14:59:31 -54.878463 0.003437 LBFGSLineSearch: 6 14:59:38 -54.878466 0.003909 LBFGSLineSearch: 7 14:59:42 -54.878470 0.003625 LBFGSLineSearch: 8 14:59:48 -54.878474 0.004360 LBFGSLineSearch: 9 14:59:55 -54.878482 0.003882 LBFGSLineSearch: 10 15:00:01 -54.878484 0.001129 LBFGSLineSearch: 11 15:00:08 -54.878484 0.001247 LBFGSLineSearch: 12 15:00:14 -54.878485 0.000997 LBFGSLineSearch: 13 15:00:20 -54.878485 0.000851 LBFGSLineSearch: 14 15:00:25 -54.878486 0.000561 LBFGSLineSearch: 15 15:00:29 -54.878486 0.000390 LBFGSLineSearch: 16 15:00:36 -54.878486 0.000464 LBFGSLineSearch: 17 15:00:41 -54.878486 0.000296 LBFGSLineSearch: 18 15:00:47 -54.878486 0.000128 LBFGSLineSearch: 19 15:00:52 -54.878486 0.000110 LBFGSLineSearch: 20 15:00:57 -54.878486 0.000000 Minimization converged after 20 steps. Pressure: 25.39841683149119 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:01:06 -52.784245 0.149589 LBFGSLineSearch: 1 15:01:12 -52.790835 0.033898 LBFGSLineSearch: 2 15:01:16 -52.791081 0.023579 LBFGSLineSearch: 3 15:01:21 -52.791146 0.009316 LBFGSLineSearch: 4 15:01:26 -52.791170 0.007020 LBFGSLineSearch: 5 15:01:32 -52.791182 0.003457 LBFGSLineSearch: 6 15:01:37 -52.791186 0.003916 LBFGSLineSearch: 7 15:01:42 -52.791189 0.003596 LBFGSLineSearch: 8 15:01:46 -52.791194 0.004057 LBFGSLineSearch: 9 15:01:49 -52.791199 0.004885 LBFGSLineSearch: 10 15:01:52 -52.791201 0.003742 LBFGSLineSearch: 11 15:01:57 -52.791202 0.001765 LBFGSLineSearch: 12 15:02:02 -52.791203 0.001110 LBFGSLineSearch: 13 15:02:06 -52.791203 0.000998 LBFGSLineSearch: 14 15:02:10 -52.791203 0.000827 LBFGSLineSearch: 15 15:02:13 -52.791203 0.000720 LBFGSLineSearch: 16 15:02:15 -52.791204 0.000997 LBFGSLineSearch: 17 15:02:18 -52.791204 0.000653 LBFGSLineSearch: 18 15:02:24 -52.791204 0.000342 LBFGSLineSearch: 19 15:02:30 -52.791204 0.000251 LBFGSLineSearch: 20 15:02:36 -52.791204 0.000124 LBFGSLineSearch: 21 15:02:41 -52.791204 0.000109 LBFGSLineSearch: 22 15:02:45 -52.791204 0.000083 LBFGSLineSearch: 23 15:02:52 -52.791204 0.000057 LBFGSLineSearch: 24 15:02:56 -52.791204 0.000011 LBFGSLineSearch: 25 15:03:00 -52.791204 0.000000 Minimization converged after 25 steps. Pressure: 28.50875898049084 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:03:08 -50.456018 0.166799 LBFGSLineSearch: 1 15:03:13 -50.464019 0.037033 LBFGSLineSearch: 2 15:03:18 -50.464302 0.025371 LBFGSLineSearch: 3 15:03:23 -50.464376 0.009653 LBFGSLineSearch: 4 15:03:29 -50.464402 0.007453 LBFGSLineSearch: 5 15:03:35 -50.464416 0.003437 LBFGSLineSearch: 6 15:03:41 -50.464419 0.003883 LBFGSLineSearch: 7 15:03:46 -50.464422 0.003531 LBFGSLineSearch: 8 15:03:51 -50.464430 0.005258 LBFGSLineSearch: 9 15:03:56 -50.464432 0.003036 LBFGSLineSearch: 10 15:04:01 -50.464434 0.001008 LBFGSLineSearch: 11 15:04:05 -50.464435 0.000910 LBFGSLineSearch: 12 15:04:09 -50.464435 0.000870 LBFGSLineSearch: 13 15:04:13 -50.464435 0.000721 LBFGSLineSearch: 14 15:04:18 -50.464435 0.000658 LBFGSLineSearch: 15 15:04:22 -50.464435 0.000635 LBFGSLineSearch: 16 15:04:25 -50.464436 0.000332 LBFGSLineSearch: 17 15:04:28 -50.464436 0.000323 LBFGSLineSearch: 18 15:04:32 -50.464436 0.000277 LBFGSLineSearch: 19 15:04:37 -50.464436 0.000233 LBFGSLineSearch: 20 15:04:42 -50.464436 0.000140 LBFGSLineSearch: 21 15:04:45 -50.464436 0.000099 LBFGSLineSearch: 22 15:04:47 -50.464436 0.000093 LBFGSLineSearch: 23 15:04:52 -50.464436 0.000012 LBFGSLineSearch: 24 15:04:57 -50.464436 0.000000 Minimization converged after 24 steps. Pressure: 31.99999999999999 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:05:07 -47.862042 0.185885 LBFGSLineSearch: 1 15:05:12 -47.871727 0.040387 LBFGSLineSearch: 2 15:05:16 -47.872053 0.027262 LBFGSLineSearch: 3 15:05:19 -47.872135 0.009981 LBFGSLineSearch: 4 15:05:24 -47.872165 0.007873 LBFGSLineSearch: 5 15:05:31 -47.872178 0.003368 LBFGSLineSearch: 6 15:05:37 -47.872181 0.003804 LBFGSLineSearch: 7 15:05:43 -47.872184 0.003459 LBFGSLineSearch: 8 15:05:48 -47.872192 0.005082 LBFGSLineSearch: 9 15:05:52 -47.872194 0.002729 LBFGSLineSearch: 10 15:05:58 -47.872195 0.000888 LBFGSLineSearch: 11 15:06:02 -47.872196 0.000803 LBFGSLineSearch: 12 15:06:06 -47.872196 0.000776 LBFGSLineSearch: 13 15:06:12 -47.872196 0.000652 LBFGSLineSearch: 14 15:06:17 -47.872196 0.000568 LBFGSLineSearch: 15 15:06:23 -47.872196 0.000366 LBFGSLineSearch: 16 15:06:27 -47.872196 0.000278 LBFGSLineSearch: 17 15:06:31 -47.872196 0.000230 LBFGSLineSearch: 18 15:06:37 -47.872196 0.000237 LBFGSLineSearch: 19 15:06:42 -47.872196 0.000102 LBFGSLineSearch: 20 15:06:45 -47.872196 0.000090 LBFGSLineSearch: 21 15:06:49 -47.872196 0.000055 LBFGSLineSearch: 22 15:06:52 -47.872196 0.000016 LBFGSLineSearch: 23 15:06:59 -47.872196 0.000000 Minimization converged after 23 steps. Pressure: 35.91878554589994 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:07:08 -44.973734 0.207033 LBFGSLineSearch: 1 15:07:13 -44.985423 0.043968 LBFGSLineSearch: 2 15:07:18 -44.985795 0.029248 LBFGSLineSearch: 3 15:07:23 -44.985888 0.010287 LBFGSLineSearch: 4 15:07:27 -44.985920 0.008268 LBFGSLineSearch: 5 15:07:33 -44.985934 0.003245 LBFGSLineSearch: 6 15:07:37 -44.985937 0.003672 LBFGSLineSearch: 7 15:07:41 -44.985939 0.003337 LBFGSLineSearch: 8 15:07:46 -44.985945 0.004820 LBFGSLineSearch: 9 15:07:50 -44.985947 0.002290 LBFGSLineSearch: 10 15:07:53 -44.985949 0.000782 LBFGSLineSearch: 11 15:07:56 -44.985949 0.000682 LBFGSLineSearch: 12 15:08:00 -44.985949 0.000642 LBFGSLineSearch: 13 15:08:05 -44.985949 0.000463 LBFGSLineSearch: 14 15:08:09 -44.985949 0.000361 LBFGSLineSearch: 15 15:08:14 -44.985949 0.000260 LBFGSLineSearch: 16 15:08:16 -44.985949 0.000227 LBFGSLineSearch: 17 15:08:21 -44.985949 0.000202 LBFGSLineSearch: 18 15:08:24 -44.985949 0.000077 LBFGSLineSearch: 19 15:08:27 -44.985949 0.000080 LBFGSLineSearch: 20 15:08:30 -44.985949 0.000071 LBFGSLineSearch: 21 15:08:32 -44.985949 0.000034 LBFGSLineSearch: 22 15:08:36 -44.985949 0.000012 LBFGSLineSearch: 23 15:08:39 -44.985949 0.000000 Minimization converged after 23 steps. Pressure: 40.317473596635914 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:08:48 -41.759740 0.230444 LBFGSLineSearch: 1 15:08:53 -41.773804 0.047782 LBFGSLineSearch: 2 15:08:56 -41.774228 0.031337 LBFGSLineSearch: 3 15:09:02 -41.774332 0.010572 LBFGSLineSearch: 4 15:09:06 -41.774366 0.008607 LBFGSLineSearch: 5 15:09:11 -41.774380 0.003059 LBFGSLineSearch: 6 15:09:16 -41.774383 0.003479 LBFGSLineSearch: 7 15:09:21 -41.774384 0.003153 LBFGSLineSearch: 8 15:09:28 -41.774390 0.004449 LBFGSLineSearch: 9 15:09:33 -41.774392 0.001832 LBFGSLineSearch: 10 15:09:38 -41.774393 0.000778 LBFGSLineSearch: 11 15:09:44 -41.774393 0.000553 LBFGSLineSearch: 12 15:09:49 -41.774393 0.000512 LBFGSLineSearch: 13 15:09:53 -41.774393 0.000360 LBFGSLineSearch: 14 15:09:58 -41.774393 0.000343 LBFGSLineSearch: 15 15:10:03 -41.774393 0.000195 LBFGSLineSearch: 16 15:10:07 -41.774393 0.000172 LBFGSLineSearch: 17 15:10:13 -41.774393 0.000256 LBFGSLineSearch: 18 15:10:16 -41.774393 0.000109 LBFGSLineSearch: 19 15:10:18 -41.774393 0.000070 LBFGSLineSearch: 20 15:10:24 -41.774393 0.000062 LBFGSLineSearch: 21 15:10:28 -41.774393 0.000027 LBFGSLineSearch: 22 15:10:31 -41.774393 0.000008 Minimization converged after 22 steps. Pressure: 45.25483399593903 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:10:40 -38.185714 0.256338 LBFGSLineSearch: 1 15:10:45 -38.202580 0.051836 LBFGSLineSearch: 2 15:10:51 -38.203061 0.033534 LBFGSLineSearch: 3 15:10:55 -38.203176 0.010822 LBFGSLineSearch: 4 15:11:00 -38.203213 0.008860 LBFGSLineSearch: 5 15:11:06 -38.203227 0.002915 LBFGSLineSearch: 6 15:11:11 -38.203230 0.003215 LBFGSLineSearch: 7 15:11:15 -38.203231 0.002898 LBFGSLineSearch: 8 15:11:20 -38.203235 0.003949 LBFGSLineSearch: 9 15:11:25 -38.203237 0.001501 LBFGSLineSearch: 10 15:11:29 -38.203237 0.001042 LBFGSLineSearch: 11 15:11:32 -38.203238 0.000597 LBFGSLineSearch: 12 15:11:36 -38.203238 0.000469 LBFGSLineSearch: 13 15:11:40 -38.203238 0.000412 LBFGSLineSearch: 14 15:11:43 -38.203238 0.000368 LBFGSLineSearch: 15 15:11:45 -38.203238 0.000318 LBFGSLineSearch: 16 15:11:51 -38.203238 0.000241 LBFGSLineSearch: 17 15:11:55 -38.203238 0.000292 LBFGSLineSearch: 18 15:11:59 -38.203238 0.000149 LBFGSLineSearch: 19 15:12:01 -38.203238 0.000112 LBFGSLineSearch: 20 15:12:03 -38.203238 0.000117 LBFGSLineSearch: 21 15:12:08 -38.203238 0.000170 LBFGSLineSearch: 22 15:12:11 -38.203238 0.000046 LBFGSLineSearch: 23 15:12:14 -38.203238 0.000047 LBFGSLineSearch: 24 15:12:18 -38.203238 0.000008 Minimization converged after 24 steps. Pressure: 50.79683366298238 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:12:27 -34.214070 0.284945 LBFGSLineSearch: 1 15:12:32 -34.234231 0.056125 LBFGSLineSearch: 2 15:12:38 -34.234774 0.035827 LBFGSLineSearch: 3 15:12:44 -34.234902 0.011635 LBFGSLineSearch: 4 15:12:49 -34.234942 0.008973 LBFGSLineSearch: 5 15:12:53 -34.234955 0.002874 LBFGSLineSearch: 6 15:12:57 -34.234957 0.002878 LBFGSLineSearch: 7 15:13:01 -34.234958 0.002552 LBFGSLineSearch: 8 15:13:05 -34.234961 0.002789 LBFGSLineSearch: 9 15:13:08 -34.234962 0.002750 LBFGSLineSearch: 10 15:13:12 -34.234963 0.000799 LBFGSLineSearch: 11 15:13:16 -34.234963 0.000264 LBFGSLineSearch: 12 15:13:20 -34.234963 0.000241 LBFGSLineSearch: 13 15:13:23 -34.234963 0.000188 LBFGSLineSearch: 14 15:13:27 -34.234963 0.000196 LBFGSLineSearch: 15 15:13:31 -34.234963 0.000165 LBFGSLineSearch: 16 15:13:34 -34.234963 0.000114 LBFGSLineSearch: 17 15:13:37 -34.234963 0.000084 LBFGSLineSearch: 18 15:13:39 -34.234963 0.000072 LBFGSLineSearch: 19 15:13:43 -34.234963 0.000070 LBFGSLineSearch: 20 15:13:47 -34.234963 0.000041 LBFGSLineSearch: 21 15:13:51 -34.234963 0.000032 LBFGSLineSearch: 22 15:13:54 -34.234963 0.000005 Minimization converged after 22 steps. Pressure: 57.017517960981685 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:14:03 -29.803736 0.316518 LBFGSLineSearch: 1 15:14:07 -29.827756 0.060667 LBFGSLineSearch: 2 15:14:10 -29.828366 0.038236 LBFGSLineSearch: 3 15:14:14 -29.828507 0.012684 LBFGSLineSearch: 4 15:14:19 -29.828551 0.008866 LBFGSLineSearch: 5 15:14:22 -29.828560 0.004564 LBFGSLineSearch: 6 15:14:25 -29.828563 0.002165 LBFGSLineSearch: 7 15:14:30 -29.828565 0.002062 LBFGSLineSearch: 8 15:14:35 -29.828565 0.002569 LBFGSLineSearch: 9 15:14:40 -29.828567 0.002784 LBFGSLineSearch: 10 15:14:43 -29.828569 0.000898 LBFGSLineSearch: 11 15:14:46 -29.828569 0.000709 LBFGSLineSearch: 12 15:14:51 -29.828569 0.000519 LBFGSLineSearch: 13 15:14:55 -29.828569 0.000143 LBFGSLineSearch: 14 15:14:59 -29.828569 0.000047 LBFGSLineSearch: 15 15:15:03 -29.828569 0.000039 LBFGSLineSearch: 16 15:15:06 -29.828569 0.000033 LBFGSLineSearch: 17 15:15:09 -29.828569 0.000011 LBFGSLineSearch: 18 15:15:14 -29.828569 0.000011 LBFGSLineSearch: 19 15:15:17 -29.828569 0.000004 Minimization converged after 19 steps. Pressure: 63.999999999999986 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:15:26 -24.909878 0.351339 LBFGSLineSearch: 1 15:15:31 -24.938400 0.065454 LBFGSLineSearch: 2 15:15:34 -24.939082 0.040758 LBFGSLineSearch: 3 15:15:39 -24.939239 0.013952 LBFGSLineSearch: 4 15:15:41 -24.939285 0.008475 LBFGSLineSearch: 5 15:15:44 -24.939294 0.003987 LBFGSLineSearch: 6 15:15:47 -24.939296 0.001936 LBFGSLineSearch: 7 15:15:52 -24.939297 0.002056 LBFGSLineSearch: 8 15:15:56 -24.939298 0.002170 LBFGSLineSearch: 9 15:16:00 -24.939299 0.002197 LBFGSLineSearch: 10 15:16:03 -24.939300 0.000874 LBFGSLineSearch: 11 15:16:06 -24.939300 0.000685 LBFGSLineSearch: 12 15:16:09 -24.939300 0.000415 LBFGSLineSearch: 13 15:16:12 -24.939300 0.000155 LBFGSLineSearch: 14 15:16:15 -24.939300 0.000163 LBFGSLineSearch: 15 15:16:18 -24.939300 0.000149 LBFGSLineSearch: 16 15:16:21 -24.939300 0.000187 LBFGSLineSearch: 17 15:16:24 -24.939300 0.000010 Minimization converged after 17 steps. Pressure: 71.83757109179987 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:16:33 -19.483615 0.389696 LBFGSLineSearch: 1 15:16:36 -19.517369 0.070489 LBFGSLineSearch: 2 15:16:40 -19.518130 0.043376 LBFGSLineSearch: 3 15:16:44 -19.518302 0.015570 LBFGSLineSearch: 4 15:16:47 -19.518352 0.007763 LBFGSLineSearch: 5 15:16:50 -19.518359 0.003357 LBFGSLineSearch: 6 15:16:52 -19.518361 0.001906 LBFGSLineSearch: 7 15:16:55 -19.518362 0.001991 LBFGSLineSearch: 8 15:16:58 -19.518362 0.001782 LBFGSLineSearch: 9 15:17:02 -19.518363 0.001691 LBFGSLineSearch: 10 15:17:04 -19.518363 0.001414 LBFGSLineSearch: 11 15:17:07 -19.518364 0.001704 LBFGSLineSearch: 12 15:17:12 -19.518364 0.000658 LBFGSLineSearch: 13 15:17:15 -19.518365 0.000489 LBFGSLineSearch: 14 15:17:17 -19.518365 0.000354 LBFGSLineSearch: 15 15:17:21 -19.518365 0.000367 LBFGSLineSearch: 16 15:17:25 -19.518365 0.000215 LBFGSLineSearch: 17 15:17:27 -19.518365 0.000209 LBFGSLineSearch: 18 15:17:30 -19.518365 0.000140 LBFGSLineSearch: 19 15:17:31 -19.518365 0.000094 LBFGSLineSearch: 20 15:17:32 -19.518365 0.000078 LBFGSLineSearch: 21 15:17:34 -19.518365 0.000063 LBFGSLineSearch: 22 15:17:37 -19.518365 0.000026 LBFGSLineSearch: 23 15:17:41 -19.518365 0.000018 LBFGSLineSearch: 24 15:17:44 -19.518365 0.000009 Minimization converged after 24 steps. Pressure: 80.63494719327184 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:17:54 -13.471717 0.431912 LBFGSLineSearch: 1 15:17:58 -13.511527 0.075806 LBFGSLineSearch: 2 15:18:02 -13.512372 0.046153 LBFGSLineSearch: 3 15:18:05 -13.512560 0.017399 LBFGSLineSearch: 4 15:18:09 -13.512613 0.006930 LBFGSLineSearch: 5 15:18:13 -13.512620 0.002891 LBFGSLineSearch: 6 15:18:17 -13.512622 0.002026 LBFGSLineSearch: 7 15:18:20 -13.512622 0.002055 LBFGSLineSearch: 8 15:18:22 -13.512622 0.001841 LBFGSLineSearch: 9 15:18:27 -13.512623 0.001452 LBFGSLineSearch: 10 15:18:30 -13.512624 0.001553 LBFGSLineSearch: 11 15:18:33 -13.512624 0.001963 LBFGSLineSearch: 12 15:18:37 -13.512625 0.000824 LBFGSLineSearch: 13 15:18:42 -13.512625 0.000786 LBFGSLineSearch: 14 15:18:46 -13.512625 0.000560 LBFGSLineSearch: 15 15:18:51 -13.512625 0.000559 LBFGSLineSearch: 16 15:18:56 -13.512625 0.000387 LBFGSLineSearch: 17 15:19:00 -13.512625 0.000187 LBFGSLineSearch: 18 15:19:05 -13.512625 0.000168 LBFGSLineSearch: 19 15:19:08 -13.512625 0.000148 LBFGSLineSearch: 20 15:19:12 -13.512625 0.000155 LBFGSLineSearch: 21 15:19:17 -13.512625 0.000106 LBFGSLineSearch: 22 15:19:20 -13.512625 0.000022 LBFGSLineSearch: 23 15:19:23 -13.512625 0.000021 LBFGSLineSearch: 24 15:19:28 -13.512625 0.000000 Minimization converged after 24 steps. Pressure: 90.50966799187806 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:19:36 -6.816271 0.478311 LBFGSLineSearch: 1 15:19:40 -6.863068 0.081375 LBFGSLineSearch: 2 15:19:46 -6.864003 0.049025 LBFGSLineSearch: 3 15:19:50 -6.864208 0.019646 LBFGSLineSearch: 4 15:19:53 -6.864265 0.006428 LBFGSLineSearch: 5 15:19:56 -6.864270 0.002920 LBFGSLineSearch: 6 15:20:00 -6.864272 0.002136 LBFGSLineSearch: 7 15:20:02 -6.864273 0.002117 LBFGSLineSearch: 8 15:20:05 -6.864273 0.001942 LBFGSLineSearch: 9 15:20:09 -6.864274 0.002135 LBFGSLineSearch: 10 15:20:12 -6.864275 0.001913 LBFGSLineSearch: 11 15:20:15 -6.864276 0.002559 LBFGSLineSearch: 12 15:20:18 -6.864277 0.001008 LBFGSLineSearch: 13 15:20:21 -6.864277 0.001073 LBFGSLineSearch: 14 15:20:25 -6.864278 0.000799 LBFGSLineSearch: 15 15:20:28 -6.864278 0.000770 LBFGSLineSearch: 16 15:20:30 -6.864278 0.000652 LBFGSLineSearch: 17 15:20:33 -6.864278 0.000770 LBFGSLineSearch: 18 15:20:35 -6.864278 0.000223 LBFGSLineSearch: 19 15:20:39 -6.864278 0.000265 LBFGSLineSearch: 20 15:20:43 -6.864278 0.000037 LBFGSLineSearch: 21 15:20:48 -6.864278 0.000001 Minimization converged after 21 steps. Pressure: 101.59366732596469 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:20:57 0.545650 0.529281 LBFGSLineSearch: 1 15:21:00 0.501977 0.244503 LBFGSLineSearch: 2 15:21:03 0.490238 0.059349 LBFGSLineSearch: 3 15:21:08 0.489604 0.028461 LBFGSLineSearch: 4 15:21:12 0.489516 0.009578 LBFGSLineSearch: 5 15:21:15 0.489504 0.004856 LBFGSLineSearch: 6 15:21:17 0.489501 0.002556 LBFGSLineSearch: 7 15:21:20 0.489500 0.002457 LBFGSLineSearch: 8 15:21:22 0.489499 0.003279 LBFGSLineSearch: 9 15:21:25 0.489496 0.002706 LBFGSLineSearch: 10 15:21:29 0.489494 0.003133 LBFGSLineSearch: 11 15:21:33 0.489492 0.001540 LBFGSLineSearch: 12 15:21:36 0.489491 0.001054 LBFGSLineSearch: 13 15:21:39 0.489491 0.001131 LBFGSLineSearch: 14 15:21:42 0.489491 0.001334 LBFGSLineSearch: 15 15:21:46 0.489491 0.000902 LBFGSLineSearch: 16 15:21:50 0.489490 0.001125 LBFGSLineSearch: 17 15:21:53 0.489490 0.000399 LBFGSLineSearch: 18 15:21:57 0.489490 0.000406 LBFGSLineSearch: 19 15:22:01 0.489490 0.000570 LBFGSLineSearch: 20 15:22:05 0.489490 0.000311 LBFGSLineSearch: 21 15:22:08 0.489490 0.000097 LBFGSLineSearch: 22 15:22:14 0.489490 0.000031 LBFGSLineSearch: 23 15:22:18 0.489490 0.000009 Minimization converged after 23 steps. Pressure: 114.03503592196337 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:22:27 8.682361 0.585208 LBFGSLineSearch: 1 15:22:31 8.629912 0.255301 LBFGSLineSearch: 2 15:22:33 8.617669 0.062089 LBFGSLineSearch: 3 15:22:36 8.616991 0.028869 LBFGSLineSearch: 4 15:22:39 8.616902 0.009915 LBFGSLineSearch: 5 15:22:43 8.616891 0.005195 LBFGSLineSearch: 6 15:22:46 8.616888 0.003629 LBFGSLineSearch: 7 15:22:50 8.616886 0.002996 LBFGSLineSearch: 8 15:22:55 8.616883 0.004976 LBFGSLineSearch: 9 15:23:00 8.616877 0.005011 LBFGSLineSearch: 10 15:23:04 8.616874 0.003576 LBFGSLineSearch: 11 15:23:10 8.616872 0.002076 LBFGSLineSearch: 12 15:23:14 8.616871 0.001482 LBFGSLineSearch: 13 15:23:18 8.616871 0.001473 LBFGSLineSearch: 14 15:23:24 8.616870 0.001456 LBFGSLineSearch: 15 15:23:29 8.616869 0.000696 LBFGSLineSearch: 16 15:23:31 8.616869 0.000639 LBFGSLineSearch: 17 15:23:35 8.616869 0.000718 LBFGSLineSearch: 18 15:23:38 8.616869 0.000444 LBFGSLineSearch: 19 15:23:41 8.616869 0.000357 LBFGSLineSearch: 20 15:23:44 8.616869 0.000200 LBFGSLineSearch: 21 15:23:48 8.616869 0.000043 LBFGSLineSearch: 22 15:23:52 8.616869 0.000058 LBFGSLineSearch: 23 15:23:54 8.616869 0.000003 Minimization converged after 23 steps. Pressure: 127.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:24:03 17.667949 0.646509 LBFGSLineSearch: 1 15:24:08 17.605182 0.263994 LBFGSLineSearch: 2 15:24:11 17.592666 0.064731 LBFGSLineSearch: 3 15:24:15 17.591944 0.029475 LBFGSLineSearch: 4 15:24:19 17.591856 0.011807 LBFGSLineSearch: 5 15:24:21 17.591843 0.006773 LBFGSLineSearch: 6 15:24:23 17.591839 0.004841 LBFGSLineSearch: 7 15:24:27 17.591836 0.003903 LBFGSLineSearch: 8 15:24:31 17.591829 0.006448 LBFGSLineSearch: 9 15:24:33 17.591820 0.006998 LBFGSLineSearch: 10 15:24:38 17.591815 0.004100 LBFGSLineSearch: 11 15:24:43 17.591812 0.002525 LBFGSLineSearch: 12 15:24:47 17.591811 0.002205 LBFGSLineSearch: 13 15:24:51 17.591811 0.001656 LBFGSLineSearch: 14 15:24:56 17.591809 0.002039 LBFGSLineSearch: 15 15:25:00 17.591808 0.000927 LBFGSLineSearch: 16 15:25:06 17.591808 0.001065 LBFGSLineSearch: 17 15:25:09 17.591808 0.000803 LBFGSLineSearch: 18 15:25:14 17.591808 0.000081 LBFGSLineSearch: 19 15:25:18 17.591808 0.000043 LBFGSLineSearch: 20 15:25:21 17.591808 0.000005 Minimization converged after 20 steps. Pressure: 143.67514218359963 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:25:30 27.582684 0.713636 LBFGSLineSearch: 1 15:25:34 27.507850 0.269812 LBFGSLineSearch: 2 15:25:37 27.495348 0.067276 LBFGSLineSearch: 3 15:25:40 27.494586 0.030689 LBFGSLineSearch: 4 15:25:43 27.494515 0.015774 LBFGSLineSearch: 5 15:25:47 27.494482 0.008778 LBFGSLineSearch: 6 15:25:51 27.494476 0.006054 LBFGSLineSearch: 7 15:25:55 27.494468 0.008086 LBFGSLineSearch: 8 15:25:59 27.494457 0.008174 LBFGSLineSearch: 9 15:26:02 27.494444 0.007133 LBFGSLineSearch: 10 15:26:06 27.494436 0.003432 LBFGSLineSearch: 11 15:26:11 27.494433 0.003058 LBFGSLineSearch: 12 15:26:15 27.494432 0.002137 LBFGSLineSearch: 13 15:26:21 27.494430 0.002957 LBFGSLineSearch: 14 15:26:26 27.494428 0.001253 LBFGSLineSearch: 15 15:26:29 27.494428 0.001243 LBFGSLineSearch: 16 15:26:33 27.494427 0.001002 LBFGSLineSearch: 17 15:26:38 27.494427 0.000151 LBFGSLineSearch: 18 15:26:43 27.494427 0.000089 LBFGSLineSearch: 19 15:26:46 27.494426 0.000037 LBFGSLineSearch: 20 15:26:50 27.494426 0.000003 Minimization converged after 20 steps. Pressure: 161.26989438654368 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:26:58 38.513452 0.787074 LBFGSLineSearch: 1 15:27:02 38.424586 0.271799 LBFGSLineSearch: 2 15:27:05 38.412440 0.069711 LBFGSLineSearch: 3 15:27:09 38.411642 0.033032 LBFGSLineSearch: 4 15:27:12 38.411562 0.014725 LBFGSLineSearch: 5 15:27:16 38.411531 0.011163 LBFGSLineSearch: 6 15:27:20 38.411523 0.007683 LBFGSLineSearch: 7 15:27:24 38.411509 0.011295 LBFGSLineSearch: 8 15:27:29 38.411489 0.010948 LBFGSLineSearch: 9 15:27:33 38.411470 0.007544 LBFGSLineSearch: 10 15:27:37 38.411460 0.004056 LBFGSLineSearch: 11 15:27:41 38.411457 0.003548 LBFGSLineSearch: 12 15:27:44 38.411455 0.002672 LBFGSLineSearch: 13 15:27:48 38.411453 0.002576 LBFGSLineSearch: 14 15:27:51 38.411451 0.002464 LBFGSLineSearch: 15 15:27:54 38.411449 0.001693 LBFGSLineSearch: 16 15:27:58 38.411449 0.001712 LBFGSLineSearch: 17 15:28:01 38.411449 0.001591 LBFGSLineSearch: 18 15:28:06 38.411448 0.002467 LBFGSLineSearch: 19 15:28:11 38.411447 0.000553 LBFGSLineSearch: 20 15:28:12 38.411447 0.000187 LBFGSLineSearch: 21 15:28:16 38.411447 0.000079 LBFGSLineSearch: 22 15:28:19 38.411447 0.000086 LBFGSLineSearch: 23 15:28:23 38.411447 0.000064 LBFGSLineSearch: 24 15:28:27 38.411447 0.000023 LBFGSLineSearch: 25 15:28:31 38.411447 0.000001 Minimization converged after 25 steps. Pressure: 181.01933598375615 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:28:40 50.554207 0.867341 LBFGSLineSearch: 1 15:28:45 50.449131 0.268790 LBFGSLineSearch: 2 15:28:49 50.437722 0.072065 LBFGSLineSearch: 3 15:28:52 50.436895 0.037081 LBFGSLineSearch: 4 15:28:55 50.436802 0.013817 LBFGSLineSearch: 5 15:28:58 50.436773 0.013635 LBFGSLineSearch: 6 15:29:02 50.436760 0.009619 LBFGSLineSearch: 7 15:29:06 50.436734 0.011796 LBFGSLineSearch: 8 15:29:09 50.436705 0.010775 LBFGSLineSearch: 9 15:29:13 50.436678 0.010230 LBFGSLineSearch: 10 15:29:16 50.436665 0.005000 LBFGSLineSearch: 11 15:29:20 50.436661 0.003644 LBFGSLineSearch: 12 15:29:24 50.436659 0.003825 LBFGSLineSearch: 13 15:29:28 50.436656 0.004956 LBFGSLineSearch: 14 15:29:32 50.436651 0.002528 LBFGSLineSearch: 15 15:29:36 50.436650 0.001933 LBFGSLineSearch: 16 15:29:39 50.436649 0.002608 LBFGSLineSearch: 17 15:29:42 50.436646 0.000853 LBFGSLineSearch: 18 15:29:45 50.436646 0.000214 LBFGSLineSearch: 19 15:29:49 50.436646 0.000102 LBFGSLineSearch: 20 15:29:52 50.436646 0.000055 LBFGSLineSearch: 21 15:29:54 50.436646 0.000008 Minimization converged after 21 steps. Pressure: 203.18733465192938 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:30:03 63.806458 0.954991 LBFGSLineSearch: 1 15:30:05 63.682788 0.259418 LBFGSLineSearch: 2 15:30:08 63.672515 0.074381 LBFGSLineSearch: 3 15:30:11 63.671670 0.043127 LBFGSLineSearch: 4 15:30:14 63.671555 0.017848 LBFGSLineSearch: 5 15:30:16 63.671524 0.016060 LBFGSLineSearch: 6 15:30:20 63.671504 0.011837 LBFGSLineSearch: 7 15:30:24 63.671463 0.013424 LBFGSLineSearch: 8 15:30:28 63.671424 0.012371 LBFGSLineSearch: 9 15:30:31 63.671385 0.012593 LBFGSLineSearch: 10 15:30:35 63.671367 0.005566 LBFGSLineSearch: 11 15:30:39 63.671361 0.004303 LBFGSLineSearch: 12 15:30:43 63.671358 0.004297 LBFGSLineSearch: 13 15:30:48 63.671351 0.005125 LBFGSLineSearch: 14 15:30:50 63.671347 0.003734 LBFGSLineSearch: 15 15:30:53 63.671346 0.002674 LBFGSLineSearch: 16 15:30:57 63.671345 0.003039 LBFGSLineSearch: 17 15:31:01 63.671342 0.002902 LBFGSLineSearch: 18 15:31:04 63.671340 0.001919 LBFGSLineSearch: 19 15:31:07 63.671340 0.000482 LBFGSLineSearch: 20 15:31:09 63.671340 0.000086 LBFGSLineSearch: 21 15:31:13 63.671340 0.000025 LBFGSLineSearch: 22 15:31:16 63.671340 0.000003 Minimization converged after 22 steps. Pressure: 228.07007184392677 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:31:26 78.379774 1.050603 LBFGSLineSearch: 1 15:31:30 78.234947 0.242038 LBFGSLineSearch: 2 15:31:33 78.226177 0.076801 LBFGSLineSearch: 3 15:31:37 78.225331 0.050944 LBFGSLineSearch: 4 15:31:41 78.225184 0.023156 LBFGSLineSearch: 5 15:31:44 78.225146 0.018534 LBFGSLineSearch: 6 15:31:48 78.225118 0.015031 LBFGSLineSearch: 7 15:31:51 78.225059 0.022826 LBFGSLineSearch: 8 15:31:56 78.225004 0.015503 LBFGSLineSearch: 9 15:31:58 78.224949 0.015123 LBFGSLineSearch: 10 15:32:01 78.224921 0.006401 LBFGSLineSearch: 11 15:32:05 78.224914 0.005395 LBFGSLineSearch: 12 15:32:10 78.224907 0.006190 LBFGSLineSearch: 13 15:32:15 78.224895 0.003685 LBFGSLineSearch: 14 15:32:19 78.224893 0.003374 LBFGSLineSearch: 15 15:32:24 78.224892 0.003355 LBFGSLineSearch: 16 15:32:29 78.224888 0.003496 LBFGSLineSearch: 17 15:32:32 78.224884 0.002364 LBFGSLineSearch: 18 15:32:35 78.224883 0.000797 LBFGSLineSearch: 19 15:32:39 78.224883 0.000140 LBFGSLineSearch: 20 15:32:42 78.224883 0.000101 LBFGSLineSearch: 21 15:32:46 78.224883 0.000102 LBFGSLineSearch: 22 15:32:50 78.224883 0.000094 LBFGSLineSearch: 23 15:32:54 78.224883 0.000024 LBFGSLineSearch: 24 15:32:57 78.224883 0.000000 Minimization converged after 24 steps. Pressure: 255.99999999999997 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:33:07 94.392309 1.154816 LBFGSLineSearch: 1 15:33:10 94.223631 0.214719 LBFGSLineSearch: 2 15:33:13 94.216644 0.079505 LBFGSLineSearch: 3 15:33:17 94.215809 0.059230 LBFGSLineSearch: 4 15:33:19 94.215621 0.028363 LBFGSLineSearch: 5 15:33:23 94.215572 0.021168 LBFGSLineSearch: 6 15:33:27 94.215531 0.018578 LBFGSLineSearch: 7 15:33:31 94.215452 0.027409 LBFGSLineSearch: 8 15:33:35 94.215376 0.022168 LBFGSLineSearch: 9 15:33:39 94.215292 0.017329 LBFGSLineSearch: 10 15:33:42 94.215256 0.006448 LBFGSLineSearch: 11 15:33:46 94.215245 0.005962 LBFGSLineSearch: 12 15:33:51 94.215233 0.007888 LBFGSLineSearch: 13 15:33:55 94.215220 0.004156 LBFGSLineSearch: 14 15:34:00 94.215217 0.004041 LBFGSLineSearch: 15 15:34:03 94.215213 0.003638 LBFGSLineSearch: 16 15:34:08 94.215205 0.004218 LBFGSLineSearch: 17 15:34:12 94.215204 0.001231 LBFGSLineSearch: 18 15:34:16 94.215203 0.000301 LBFGSLineSearch: 19 15:34:19 94.215203 0.000251 LBFGSLineSearch: 20 15:34:22 94.215203 0.000158 LBFGSLineSearch: 21 15:34:24 94.215203 0.000064 LBFGSLineSearch: 22 15:34:28 94.215203 0.000000 Minimization converged after 22 steps. Pressure: 287.35028436719927 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:34:37 111.971366 1.268297 LBFGSLineSearch: 1 15:34:42 111.776087 0.175177 LBFGSLineSearch: 2 15:34:46 111.770974 0.082859 LBFGSLineSearch: 3 15:34:48 111.770262 0.048754 LBFGSLineSearch: 4 15:34:52 111.769926 0.032767 LBFGSLineSearch: 5 15:34:55 111.769863 0.022142 LBFGSLineSearch: 6 15:35:00 111.769803 0.025135 LBFGSLineSearch: 7 15:35:04 111.769699 0.036253 LBFGSLineSearch: 8 15:35:08 111.769595 0.020938 LBFGSLineSearch: 9 15:35:11 111.769473 0.017849 LBFGSLineSearch: 10 15:35:14 111.769428 0.009106 LBFGSLineSearch: 11 15:35:19 111.769414 0.008322 LBFGSLineSearch: 12 15:35:21 111.769395 0.008106 LBFGSLineSearch: 13 15:35:23 111.769378 0.005410 LBFGSLineSearch: 14 15:35:26 111.769375 0.004698 LBFGSLineSearch: 15 15:35:31 111.769367 0.007002 LBFGSLineSearch: 16 15:35:36 111.769357 0.008094 LBFGSLineSearch: 17 15:35:38 111.769355 0.003182 LBFGSLineSearch: 18 15:35:41 111.769354 0.000601 LBFGSLineSearch: 19 15:35:48 111.769354 0.000515 LBFGSLineSearch: 20 15:35:51 111.769354 0.000287 LBFGSLineSearch: 21 15:35:54 111.769354 0.000095 LBFGSLineSearch: 22 15:35:56 111.769354 0.000018 LBFGSLineSearch: 23 15:36:00 111.769354 0.000000 Minimization converged after 23 steps. Pressure: 322.5397887730874 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:36:10 131.253981 1.391759 LBFGSLineSearch: 1 15:36:12 131.029412 0.151000 LBFGSLineSearch: 2 15:36:14 131.025944 0.087378 LBFGSLineSearch: 3 15:36:17 131.025125 0.061556 LBFGSLineSearch: 4 15:36:21 131.024866 0.036552 LBFGSLineSearch: 5 15:36:24 131.024789 0.026296 LBFGSLineSearch: 6 15:36:28 131.024717 0.029072 LBFGSLineSearch: 7 15:36:31 131.024576 0.040818 LBFGSLineSearch: 8 15:36:34 131.024433 0.028501 LBFGSLineSearch: 9 15:36:37 131.024240 0.017292 LBFGSLineSearch: 10 15:36:42 131.024204 0.009758 LBFGSLineSearch: 11 15:36:46 131.024175 0.010310 LBFGSLineSearch: 12 15:36:50 131.024149 0.009205 LBFGSLineSearch: 13 15:36:54 131.024137 0.005703 LBFGSLineSearch: 14 15:36:57 131.024132 0.005535 LBFGSLineSearch: 15 15:37:01 131.024113 0.008826 LBFGSLineSearch: 16 15:37:04 131.024106 0.002714 LBFGSLineSearch: 17 15:37:07 131.024106 0.001004 LBFGSLineSearch: 18 15:37:11 131.024106 0.001225 LBFGSLineSearch: 19 15:37:16 131.024106 0.000508 LBFGSLineSearch: 20 15:37:19 131.024106 0.000309 LBFGSLineSearch: 21 15:37:20 131.024106 0.000097 LBFGSLineSearch: 22 15:37:22 131.024106 0.000006 Minimization converged after 22 steps. Pressure: 362.0386719675123 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:37:31 152.387547 1.525964 LBFGSLineSearch: 1 15:37:36 152.131232 0.170106 LBFGSLineSearch: 2 15:37:39 152.128668 0.093833 LBFGSLineSearch: 3 15:37:42 152.127776 0.084642 LBFGSLineSearch: 4 15:37:45 152.127539 0.034516 LBFGSLineSearch: 5 15:37:49 152.127466 0.030853 LBFGSLineSearch: 6 15:37:52 152.127375 0.028054 LBFGSLineSearch: 7 15:37:57 152.127220 0.052865 LBFGSLineSearch: 8 15:38:01 152.126999 0.033909 LBFGSLineSearch: 9 15:38:06 152.126838 0.035100 LBFGSLineSearch: 10 15:38:11 152.126713 0.010600 LBFGSLineSearch: 11 15:38:15 152.126669 0.011932 LBFGSLineSearch: 12 15:38:19 152.126634 0.010946 LBFGSLineSearch: 13 15:38:24 152.126617 0.007070 LBFGSLineSearch: 14 15:38:26 152.126610 0.009911 LBFGSLineSearch: 15 15:38:30 152.126577 0.005422 LBFGSLineSearch: 16 15:38:33 152.126574 0.001655 LBFGSLineSearch: 17 15:38:36 152.126574 0.001686 LBFGSLineSearch: 18 15:38:40 152.126574 0.001537 LBFGSLineSearch: 19 15:38:44 152.126573 0.000936 LBFGSLineSearch: 20 15:38:47 152.126573 0.000314 LBFGSLineSearch: 21 15:38:52 152.126573 0.000040 LBFGSLineSearch: 22 15:38:56 152.126573 0.000000 Minimization converged after 22 steps. Pressure: 406.3746693038588 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:39:05 175.530497 1.671709 LBFGSLineSearch: 1 15:39:09 175.240101 0.187316 LBFGSLineSearch: 2 15:39:12 175.237277 0.103001 LBFGSLineSearch: 3 15:39:18 175.236437 0.103075 LBFGSLineSearch: 4 15:39:22 175.236108 0.039753 LBFGSLineSearch: 5 15:39:26 175.236024 0.033218 LBFGSLineSearch: 6 15:39:29 175.235900 0.027254 LBFGSLineSearch: 7 15:39:32 175.235733 0.039682 LBFGSLineSearch: 8 15:39:36 175.235512 0.038886 LBFGSLineSearch: 9 15:39:41 175.235214 0.032894 LBFGSLineSearch: 10 15:39:44 175.235120 0.020740 LBFGSLineSearch: 11 15:39:48 175.235067 0.011448 LBFGSLineSearch: 12 15:39:51 175.235027 0.021681 LBFGSLineSearch: 13 15:39:56 175.234954 0.009595 LBFGSLineSearch: 14 15:40:00 175.234945 0.008753 LBFGSLineSearch: 15 15:40:03 175.234921 0.008531 LBFGSLineSearch: 16 15:40:08 175.234900 0.008984 LBFGSLineSearch: 17 15:40:12 175.234896 0.002978 LBFGSLineSearch: 18 15:40:15 175.234896 0.002366 LBFGSLineSearch: 19 15:40:18 175.234895 0.003089 LBFGSLineSearch: 20 15:40:22 175.234894 0.000907 LBFGSLineSearch: 21 15:40:25 175.234894 0.000291 LBFGSLineSearch: 22 15:40:29 175.234894 0.000035 LBFGSLineSearch: 23 15:40:32 175.234894 0.000002 Minimization converged after 23 steps. Pressure: 456.1401436878536 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:40:39 200.853030 1.829867 LBFGSLineSearch: 1 15:40:42 200.524841 0.198853 LBFGSLineSearch: 2 15:40:44 200.521653 0.115806 LBFGSLineSearch: 3 15:40:47 200.520703 0.079771 LBFGSLineSearch: 4 15:40:50 200.520440 0.043905 LBFGSLineSearch: 5 15:40:55 200.520285 0.035206 LBFGSLineSearch: 6 15:40:57 200.520126 0.037618 LBFGSLineSearch: 7 15:41:00 200.519893 0.033845 LBFGSLineSearch: 8 15:41:05 200.519631 0.040619 LBFGSLineSearch: 9 15:41:09 200.519236 0.019377 LBFGSLineSearch: 10 15:41:14 200.519155 0.031074 LBFGSLineSearch: 11 15:41:18 200.519043 0.010839 LBFGSLineSearch: 12 15:41:22 200.519034 0.011297 LBFGSLineSearch: 13 15:41:27 200.518996 0.013617 LBFGSLineSearch: 14 15:41:30 200.518964 0.005461 LBFGSLineSearch: 15 15:41:32 200.518963 0.003609 LBFGSLineSearch: 16 15:41:35 200.518962 0.004417 LBFGSLineSearch: 17 15:41:38 200.518958 0.002087 LBFGSLineSearch: 18 15:41:41 200.518958 0.000565 LBFGSLineSearch: 19 15:41:43 200.518958 0.000243 LBFGSLineSearch: 20 15:41:48 200.518958 0.000007 Minimization converged after 20 steps. Pressure: 511.99999999999955 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:41:57 228.537895 2.001355 LBFGSLineSearch: 1 15:42:00 228.167776 0.211021 LBFGSLineSearch: 2 15:42:03 228.164200 0.133194 LBFGSLineSearch: 3 15:42:07 228.163222 0.080930 LBFGSLineSearch: 4 15:42:11 228.162935 0.048024 LBFGSLineSearch: 5 15:42:14 228.162736 0.040307 LBFGSLineSearch: 6 15:42:16 228.162537 0.039418 LBFGSLineSearch: 7 15:42:19 228.162279 0.039035 LBFGSLineSearch: 8 15:42:24 228.161956 0.041434 LBFGSLineSearch: 9 15:42:27 228.161533 0.022091 LBFGSLineSearch: 10 15:42:30 228.161397 0.020964 LBFGSLineSearch: 11 15:42:33 228.161320 0.012719 LBFGSLineSearch: 12 15:42:35 228.161281 0.012404 LBFGSLineSearch: 13 15:42:38 228.161270 0.012114 LBFGSLineSearch: 14 15:42:42 228.161220 0.014767 LBFGSLineSearch: 15 15:42:46 228.161185 0.004425 LBFGSLineSearch: 16 15:42:49 228.161184 0.004509 LBFGSLineSearch: 17 15:42:54 228.161177 0.003573 LBFGSLineSearch: 18 15:42:57 228.161176 0.000780 LBFGSLineSearch: 19 15:43:00 228.161176 0.000004 Minimization converged after 19 steps. Pressure: 574.7005687343986 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:43:09 258.781200 2.187147 LBFGSLineSearch: 1 15:43:12 258.364635 0.223748 LBFGSLineSearch: 2 15:43:14 258.360661 0.155875 LBFGSLineSearch: 3 15:43:16 258.359632 0.079686 LBFGSLineSearch: 4 15:43:19 258.359329 0.052129 LBFGSLineSearch: 5 15:43:21 258.359083 0.046325 LBFGSLineSearch: 6 15:43:23 258.358860 0.044710 LBFGSLineSearch: 7 15:43:25 258.358567 0.044323 LBFGSLineSearch: 8 15:43:28 258.358183 0.045324 LBFGSLineSearch: 9 15:43:31 258.357743 0.025794 LBFGSLineSearch: 10 15:43:34 258.357568 0.024184 LBFGSLineSearch: 11 15:43:39 258.357446 0.014333 LBFGSLineSearch: 12 15:43:41 258.357425 0.014657 LBFGSLineSearch: 13 15:43:44 258.357409 0.015055 LBFGSLineSearch: 14 15:43:51 258.357312 0.011061 LBFGSLineSearch: 15 15:43:55 258.357302 0.005756 LBFGSLineSearch: 16 15:43:58 258.357299 0.005553 LBFGSLineSearch: 17 15:44:03 258.357296 0.005359 LBFGSLineSearch: 18 15:44:07 258.357286 0.000364 LBFGSLineSearch: 19 15:44:11 258.357286 0.000000 Minimization converged after 19 steps. Pressure: 645.0795775461748 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:44:21 291.793242 2.388283 LBFGSLineSearch: 1 15:44:26 291.325312 0.236917 LBFGSLineSearch: 2 15:44:29 291.320948 0.184547 LBFGSLineSearch: 3 15:44:34 291.319835 0.076498 LBFGSLineSearch: 4 15:44:38 291.319522 0.056271 LBFGSLineSearch: 5 15:44:42 291.319230 0.052067 LBFGSLineSearch: 6 15:44:45 291.318994 0.048989 LBFGSLineSearch: 7 15:44:49 291.318648 0.049505 LBFGSLineSearch: 8 15:44:53 291.318203 0.050030 LBFGSLineSearch: 9 15:44:57 291.317757 0.027894 LBFGSLineSearch: 10 15:45:01 291.317566 0.037175 LBFGSLineSearch: 11 15:45:05 291.317401 0.021553 LBFGSLineSearch: 12 15:45:08 291.317371 0.018290 LBFGSLineSearch: 13 15:45:11 291.317354 0.017681 LBFGSLineSearch: 14 15:45:15 291.317316 0.026665 LBFGSLineSearch: 15 15:45:19 291.317203 0.006857 LBFGSLineSearch: 16 15:45:21 291.317198 0.006764 LBFGSLineSearch: 17 15:45:24 291.317193 0.007015 LBFGSLineSearch: 18 15:45:27 291.317176 0.001589 LBFGSLineSearch: 19 15:45:29 291.317176 0.000113 LBFGSLineSearch: 20 15:45:33 291.317176 0.000008 Minimization converged after 20 steps. Pressure: 724.077343935024 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:45:43 327.799347 2.605870 LBFGSLineSearch: 1 15:45:46 327.274694 0.253986 LBFGSLineSearch: 2 15:45:47 327.269972 0.219548 LBFGSLineSearch: 3 15:45:50 327.268730 0.086155 LBFGSLineSearch: 4 15:45:52 327.268408 0.068371 LBFGSLineSearch: 5 15:45:57 327.268082 0.056123 LBFGSLineSearch: 6 15:45:59 327.267836 0.051722 LBFGSLineSearch: 7 15:46:01 327.267416 0.054179 LBFGSLineSearch: 8 15:46:05 327.266948 0.055488 LBFGSLineSearch: 9 15:46:08 327.266468 0.032666 LBFGSLineSearch: 10 15:46:11 327.266243 0.040988 LBFGSLineSearch: 11 15:46:15 327.266035 0.023542 LBFGSLineSearch: 12 15:46:18 327.265997 0.022931 LBFGSLineSearch: 13 15:46:22 327.265962 0.020614 LBFGSLineSearch: 14 15:46:27 327.265748 0.009731 LBFGSLineSearch: 15 15:46:31 327.265744 0.008596 LBFGSLineSearch: 16 15:46:38 327.265710 0.009585 LBFGSLineSearch: 17 15:46:41 327.265706 0.001381 LBFGSLineSearch: 18 15:46:43 327.265706 0.000001 Minimization converged after 18 steps. Pressure: 812.7493386077177 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:46:52 367.040684 2.841069 LBFGSLineSearch: 1 15:46:57 366.453483 0.281755 LBFGSLineSearch: 2 15:47:00 366.448468 0.260958 LBFGSLineSearch: 3 15:47:05 366.447039 0.106112 LBFGSLineSearch: 4 15:47:09 366.446700 0.084684 LBFGSLineSearch: 5 15:47:10 366.446425 0.056645 LBFGSLineSearch: 6 15:47:12 366.446106 0.053672 LBFGSLineSearch: 7 15:47:14 366.445803 0.099524 LBFGSLineSearch: 8 15:47:17 366.445443 0.053351 LBFGSLineSearch: 9 15:47:21 366.444910 0.062862 LBFGSLineSearch: 10 15:47:24 366.444431 0.045439 LBFGSLineSearch: 11 15:47:27 366.444199 0.045050 LBFGSLineSearch: 12 15:47:29 366.444020 0.023455 LBFGSLineSearch: 13 15:47:32 366.443972 0.027055 LBFGSLineSearch: 14 15:47:34 366.443904 0.032120 LBFGSLineSearch: 15 15:47:37 366.443647 0.013360 LBFGSLineSearch: 16 15:47:38 366.443593 0.011054 LBFGSLineSearch: 17 15:47:40 366.443579 0.010773 LBFGSLineSearch: 18 15:47:42 366.443544 0.012808 LBFGSLineSearch: 19 15:47:44 366.443531 0.005149 LBFGSLineSearch: 20 15:47:45 366.443529 0.000102 LBFGSLineSearch: 21 15:47:50 366.443529 0.000014 LBFGSLineSearch: 22 15:47:53 366.443529 0.000000 Minimization converged after 22 steps. Pressure: 912.2802873757072 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:48:02 409.775065 3.095110 LBFGSLineSearch: 1 15:48:05 409.118994 0.310918 LBFGSLineSearch: 2 15:48:07 409.113787 0.308195 LBFGSLineSearch: 3 15:48:11 409.112102 0.131756 LBFGSLineSearch: 4 15:48:15 409.111635 0.070104 LBFGSLineSearch: 5 15:48:17 409.111314 0.065112 LBFGSLineSearch: 6 15:48:20 409.110779 0.069606 LBFGSLineSearch: 7 15:48:22 409.110487 0.057437 LBFGSLineSearch: 8 15:48:26 409.109958 0.070509 LBFGSLineSearch: 9 15:48:29 409.109369 0.050096 LBFGSLineSearch: 10 15:48:30 409.109037 0.034837 LBFGSLineSearch: 11 15:48:32 409.108732 0.040342 LBFGSLineSearch: 12 15:48:33 409.108666 0.035864 LBFGSLineSearch: 13 15:48:37 409.108518 0.077432 LBFGSLineSearch: 14 15:48:44 409.107992 0.014770 LBFGSLineSearch: 15 15:48:48 409.107965 0.015250 LBFGSLineSearch: 16 15:48:52 409.107939 0.014019 LBFGSLineSearch: 17 15:48:56 409.107850 0.009584 LBFGSLineSearch: 18 15:48:59 409.107840 0.001284 LBFGSLineSearch: 19 15:49:03 409.107840 0.000008 Minimization converged after 19 steps. Pressure: 1023.9999999999992 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:49:13 456.277547 3.369267 LBFGSLineSearch: 1 15:49:18 455.545770 0.340755 LBFGSLineSearch: 2 15:49:21 455.540517 0.359207 LBFGSLineSearch: 3 15:49:25 455.538498 0.162761 LBFGSLineSearch: 4 15:49:29 455.537891 0.075704 LBFGSLineSearch: 5 15:49:33 455.537623 0.063874 LBFGSLineSearch: 6 15:49:37 455.536988 0.083038 LBFGSLineSearch: 7 15:49:41 455.536683 0.106289 LBFGSLineSearch: 8 15:49:44 455.536209 0.055627 LBFGSLineSearch: 9 15:49:49 455.535593 0.069598 LBFGSLineSearch: 10 15:49:53 455.535064 0.042802 LBFGSLineSearch: 11 15:49:57 455.534762 0.063881 LBFGSLineSearch: 12 15:50:01 455.534520 0.050967 LBFGSLineSearch: 13 15:50:06 455.534204 0.052407 LBFGSLineSearch: 14 15:50:11 455.533167 0.090214 LBFGSLineSearch: 15 15:50:15 455.532977 0.022364 LBFGSLineSearch: 16 15:50:21 455.532944 0.024025 LBFGSLineSearch: 17 15:50:27 455.532647 0.003982 LBFGSLineSearch: 18 15:50:32 455.532645 0.000879 LBFGSLineSearch: 19 15:50:36 455.532644 0.000050 LBFGSLineSearch: 20 15:50:42 455.532644 0.000000 Minimization converged after 20 steps. Pressure: 1149.4011374687973 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:50:50 506.839315 3.664762 LBFGSLineSearch: 1 15:50:56 506.024562 0.368042 LBFGSLineSearch: 2 15:51:00 506.019446 0.404226 LBFGSLineSearch: 3 15:51:06 506.017065 0.197656 LBFGSLineSearch: 4 15:51:11 506.016264 0.082433 LBFGSLineSearch: 5 15:51:12 506.015984 0.072331 LBFGSLineSearch: 6 15:51:14 506.015047 0.079679 LBFGSLineSearch: 7 15:51:16 506.014604 0.060570 LBFGSLineSearch: 8 15:51:20 506.014368 0.115231 LBFGSLineSearch: 9 15:51:24 506.013792 0.060654 LBFGSLineSearch: 10 15:51:28 506.013163 0.056372 LBFGSLineSearch: 11 15:51:31 506.012772 0.058990 LBFGSLineSearch: 12 15:51:36 506.012454 0.070541 LBFGSLineSearch: 13 15:51:41 506.011502 0.067917 LBFGSLineSearch: 14 15:51:45 506.009518 0.136617 LBFGSLineSearch: 15 15:51:57 505.431083 2.748508 LBFGSLineSearch: 16 15:52:01 505.430757 2.767908 LBFGSLineSearch: 17 15:52:07 505.188843 1.828796 LBFGSLineSearch: 18 15:52:10 504.998760 0.809269 LBFGSLineSearch: 19 15:52:14 504.937763 0.644801 LBFGSLineSearch: 20 15:52:17 504.866598 0.405104 LBFGSLineSearch: 21 15:52:21 504.836146 0.199956 LBFGSLineSearch: 22 15:52:24 504.834585 0.087751 LBFGSLineSearch: 23 15:52:28 504.833992 0.075292 LBFGSLineSearch: 24 15:52:31 504.832137 0.273518 LBFGSLineSearch: 25 15:52:36 504.826499 0.217715 LBFGSLineSearch: 26 15:52:42 504.815297 0.522625 LBFGSLineSearch: 27 15:52:46 504.800361 0.306770 LBFGSLineSearch: 28 15:52:51 504.788096 0.170781 LBFGSLineSearch: 29 15:52:55 504.785713 0.053209 LBFGSLineSearch: 30 15:52:59 504.785088 0.034307 LBFGSLineSearch: 31 15:53:02 504.784989 0.011262 LBFGSLineSearch: 32 15:53:05 504.784977 0.001174 LBFGSLineSearch: 33 15:53:08 504.784977 0.000120 LBFGSLineSearch: 34 15:53:10 504.784977 0.000018 LBFGSLineSearch: 35 15:53:14 504.784977 0.000002 Minimization converged after 35 steps. Pressure: 1290.15915509235 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:53:24 560.317826 3.966633 LBFGSLineSearch: 1 15:53:29 559.426899 0.287663 LBFGSLineSearch: 2 15:53:34 559.424237 0.152780 LBFGSLineSearch: 3 15:53:37 559.422741 0.135289 LBFGSLineSearch: 4 15:53:41 559.422349 0.098739 LBFGSLineSearch: 5 15:53:44 559.421845 0.089625 LBFGSLineSearch: 6 15:53:48 559.420649 0.112522 LBFGSLineSearch: 7 15:53:51 559.419899 0.098447 LBFGSLineSearch: 8 15:53:53 559.419048 0.108006 LBFGSLineSearch: 9 15:53:58 559.417840 0.106624 LBFGSLineSearch: 10 15:54:01 559.417309 0.067450 LBFGSLineSearch: 11 15:54:05 559.417009 0.061735 LBFGSLineSearch: 12 15:54:10 559.416055 0.047501 LBFGSLineSearch: 13 15:54:12 559.415290 0.073868 LBFGSLineSearch: 14 15:54:16 559.414306 0.080540 LBFGSLineSearch: 15 15:54:19 559.413090 0.065773 LBFGSLineSearch: 16 15:54:23 559.411716 0.030690 LBFGSLineSearch: 17 15:54:26 559.411558 0.012655 LBFGSLineSearch: 18 15:54:29 559.411543 0.014350 LBFGSLineSearch: 19 15:54:34 559.411524 0.014327 LBFGSLineSearch: 20 15:54:38 559.411466 0.002327 LBFGSLineSearch: 21 15:54:42 559.411464 0.000393 LBFGSLineSearch: 22 15:54:46 559.411464 0.000049 LBFGSLineSearch: 23 15:54:50 559.411464 0.000001 Minimization converged after 23 steps. Pressure: 1448.1546878700483 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:54:59 619.747308 4.309704 LBFGSLineSearch: 1 15:55:04 618.757334 0.331208 LBFGSLineSearch: 2 15:55:08 618.754542 0.170973 LBFGSLineSearch: 3 15:55:11 618.752783 0.206422 LBFGSLineSearch: 4 15:55:16 618.751982 0.133249 LBFGSLineSearch: 5 15:55:19 618.750833 0.118108 LBFGSLineSearch: 6 15:55:24 618.748951 0.131502 LBFGSLineSearch: 7 15:55:28 618.747628 0.146607 LBFGSLineSearch: 8 15:55:32 618.746289 0.153710 LBFGSLineSearch: 9 15:55:35 618.743904 0.185863 LBFGSLineSearch: 10 15:55:39 618.741852 0.128947 LBFGSLineSearch: 11 15:55:44 618.739181 0.205085 LBFGSLineSearch: 12 15:55:49 618.729627 0.153294 LBFGSLineSearch: 13 15:55:53 618.710667 0.628262 LBFGSLineSearch: 14 15:55:57 618.706133 0.935217 LBFGSLineSearch: 15 15:56:01 618.681240 1.347512 LBFGSLineSearch: 16 15:56:03 618.628055 1.604478 LBFGSLineSearch: 17 15:56:06 618.511444 1.570321 LBFGSLineSearch: 18 15:56:10 618.387396 1.020259 LBFGSLineSearch: 19 15:56:13 618.163725 1.192106 LBFGSLineSearch: 20 15:56:17 618.088081 1.378350 LBFGSLineSearch: 21 15:56:20 618.025719 0.407970 LBFGSLineSearch: 22 15:56:24 618.014292 0.207855 LBFGSLineSearch: 23 15:56:27 618.009023 0.159215 LBFGSLineSearch: 24 15:56:31 618.006542 0.140876 LBFGSLineSearch: 25 15:56:34 618.004322 0.128010 LBFGSLineSearch: 26 15:56:38 618.000192 0.200121 LBFGSLineSearch: 27 15:56:43 617.992602 0.207614 LBFGSLineSearch: 28 15:56:46 617.991326 0.047494 LBFGSLineSearch: 29 15:56:50 617.991189 0.009362 LBFGSLineSearch: 30 15:56:55 617.991185 0.001819 LBFGSLineSearch: 31 15:56:57 617.991185 0.000146 LBFGSLineSearch: 32 15:57:01 617.991185 0.000016 LBFGSLineSearch: 33 15:57:05 617.991185 0.000001 Minimization converged after 33 steps. Pressure: 1625.498677215434 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:57:14 683.159976 4.654914 LBFGSLineSearch: 1 15:57:17 682.066199 0.340152 LBFGSLineSearch: 2 15:57:21 682.063316 0.331558 LBFGSLineSearch: 3 15:57:25 682.059984 0.136751 LBFGSLineSearch: 4 15:57:28 682.058546 0.161118 LBFGSLineSearch: 5 15:57:31 682.057555 0.131778 LBFGSLineSearch: 6 15:57:35 682.056721 0.090335 LBFGSLineSearch: 7 15:57:37 682.056144 0.087898 LBFGSLineSearch: 8 15:57:39 682.055602 0.079771 LBFGSLineSearch: 9 15:57:42 682.054881 0.074470 LBFGSLineSearch: 10 15:57:45 682.053886 0.060211 LBFGSLineSearch: 11 15:57:48 682.053377 0.055310 LBFGSLineSearch: 12 15:57:52 682.053083 0.066527 LBFGSLineSearch: 13 15:57:56 682.052616 0.053109 LBFGSLineSearch: 14 15:58:00 682.052029 0.012850 LBFGSLineSearch: 15 15:58:03 682.052017 0.002594 LBFGSLineSearch: 16 15:58:06 682.052017 0.002280 LBFGSLineSearch: 17 15:58:11 682.052016 0.003139 LBFGSLineSearch: 18 15:58:15 682.052013 0.000529 LBFGSLineSearch: 19 15:58:18 682.052013 0.000009 Minimization converged after 19 steps. Pressure: 1824.560574751413 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:58:27 752.766241 5.051017 LBFGSLineSearch: 1 15:58:31 751.554411 0.382883 LBFGSLineSearch: 2 15:58:35 751.551054 0.376418 LBFGSLineSearch: 3 15:58:39 751.547296 0.140271 LBFGSLineSearch: 4 15:58:42 751.545937 0.165095 LBFGSLineSearch: 5 15:58:44 751.544973 0.153780 LBFGSLineSearch: 6 15:58:47 751.544137 0.093487 LBFGSLineSearch: 7 15:58:50 751.543495 0.095762 LBFGSLineSearch: 8 15:58:53 751.542852 0.118455 LBFGSLineSearch: 9 15:58:54 751.541842 0.102237 LBFGSLineSearch: 10 15:58:58 751.540657 0.068595 LBFGSLineSearch: 11 15:59:01 751.540207 0.060536 LBFGSLineSearch: 12 15:59:04 751.539962 0.064266 LBFGSLineSearch: 13 15:59:08 751.539606 0.055632 LBFGSLineSearch: 14 15:59:12 751.538899 0.025711 LBFGSLineSearch: 15 15:59:15 751.538854 0.007626 LBFGSLineSearch: 16 15:59:18 751.538848 0.005476 LBFGSLineSearch: 17 15:59:22 751.538843 0.005549 LBFGSLineSearch: 18 15:59:27 751.538833 0.005200 LBFGSLineSearch: 19 15:59:30 751.538832 0.001141 LBFGSLineSearch: 20 15:59:33 751.538832 0.000002 Minimization converged after 20 steps. Pressure: 2047.9999999999984 GPa Step Time Energy fmax LBFGSLineSearch: 0 15:59:42 828.215659 5.476916 LBFGSLineSearch: 1 15:59:44 826.874646 0.432411 LBFGSLineSearch: 2 15:59:47 826.870757 0.424430 LBFGSLineSearch: 3 15:59:50 826.866609 0.141948 LBFGSLineSearch: 4 15:59:52 826.865277 0.165669 LBFGSLineSearch: 5 15:59:54 826.864413 0.190388 LBFGSLineSearch: 6 15:59:57 826.863494 0.094955 LBFGSLineSearch: 7 15:59:59 826.862732 0.098720 LBFGSLineSearch: 8 16:00:02 826.861852 0.154412 LBFGSLineSearch: 9 16:00:04 826.860686 0.174100 LBFGSLineSearch: 10 16:00:07 826.859479 0.083912 LBFGSLineSearch: 11 16:00:10 826.859074 0.063662 LBFGSLineSearch: 12 16:00:14 826.858768 0.061206 LBFGSLineSearch: 13 16:00:16 826.858034 0.044197 LBFGSLineSearch: 14 16:00:19 826.857835 0.016638 LBFGSLineSearch: 15 16:00:22 826.857813 0.008725 LBFGSLineSearch: 16 16:00:24 826.857807 0.009011 LBFGSLineSearch: 17 16:00:28 826.857784 0.003959 LBFGSLineSearch: 18 16:00:31 826.857780 0.000146 LBFGSLineSearch: 19 16:00:33 826.857780 0.000021 LBFGSLineSearch: 20 16:00:36 826.857780 0.000000 Minimization converged after 20 steps. Pressure: 2298.802274937595 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:00:43 909.941365 5.934542 LBFGSLineSearch: 1 16:00:47 908.459126 0.488993 LBFGSLineSearch: 2 16:00:50 908.454634 0.475796 LBFGSLineSearch: 3 16:00:53 908.450124 0.143297 LBFGSLineSearch: 4 16:00:56 908.448771 0.163188 LBFGSLineSearch: 5 16:00:59 908.447816 0.137917 LBFGSLineSearch: 6 16:01:02 908.447026 0.105783 LBFGSLineSearch: 7 16:01:05 908.446006 0.098301 LBFGSLineSearch: 8 16:01:08 908.444596 0.157283 LBFGSLineSearch: 9 16:01:11 908.443685 0.296719 LBFGSLineSearch: 10 16:01:14 908.442712 0.105177 LBFGSLineSearch: 11 16:01:16 908.442307 0.060337 LBFGSLineSearch: 12 16:01:19 908.441985 0.056591 LBFGSLineSearch: 13 16:01:23 908.441394 0.048045 LBFGSLineSearch: 14 16:01:26 908.441259 0.014087 LBFGSLineSearch: 15 16:01:29 908.441249 0.010169 LBFGSLineSearch: 16 16:01:32 908.441240 0.013549 LBFGSLineSearch: 17 16:01:35 908.441210 0.001860 LBFGSLineSearch: 18 16:01:39 908.441209 0.000042 LBFGSLineSearch: 19 16:01:43 908.441209 0.000000 Minimization converged after 19 steps. Pressure: 2580.3183101847 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:01:51 998.404259 6.425932 LBFGSLineSearch: 1 16:01:54 996.767764 0.552944 LBFGSLineSearch: 2 16:01:58 996.762593 0.530348 LBFGSLineSearch: 3 16:02:02 996.757737 0.145282 LBFGSLineSearch: 4 16:02:05 996.756348 0.160640 LBFGSLineSearch: 5 16:02:09 996.755480 0.127751 LBFGSLineSearch: 6 16:02:12 996.754625 0.117476 LBFGSLineSearch: 7 16:02:14 996.753446 0.130693 LBFGSLineSearch: 8 16:02:16 996.752265 0.203907 LBFGSLineSearch: 9 16:02:20 996.750737 0.143194 LBFGSLineSearch: 10 16:02:24 996.750075 0.067199 LBFGSLineSearch: 11 16:02:27 996.749866 0.059199 LBFGSLineSearch: 12 16:02:31 996.749582 0.066096 LBFGSLineSearch: 13 16:02:34 996.749126 0.052794 LBFGSLineSearch: 14 16:02:38 996.749033 0.012045 LBFGSLineSearch: 15 16:02:42 996.749024 0.009719 LBFGSLineSearch: 16 16:02:44 996.748996 0.004983 LBFGSLineSearch: 17 16:02:46 996.748989 0.000589 LBFGSLineSearch: 18 16:02:48 996.748989 0.000029 LBFGSLineSearch: 19 16:02:51 996.748989 0.000000 Minimization converged after 19 steps. Pressure: 2896.3093757400993 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:03:00 1094.093948 6.953211 LBFGSLineSearch: 1 16:03:02 1092.614751 2.995755 LBFGSLineSearch: 2 16:03:03 1092.300344 1.724546 LBFGSLineSearch: 3 16:03:06 1092.279839 0.291302 LBFGSLineSearch: 4 16:03:08 1092.276966 0.201147 LBFGSLineSearch: 5 16:03:13 1092.276230 0.149521 LBFGSLineSearch: 6 16:03:16 1092.275311 0.165999 LBFGSLineSearch: 7 16:03:19 1092.274345 0.153970 LBFGSLineSearch: 8 16:03:23 1092.273132 0.178305 LBFGSLineSearch: 9 16:03:26 1092.271261 0.110877 LBFGSLineSearch: 10 16:03:27 1092.270434 0.060939 LBFGSLineSearch: 11 16:03:29 1092.270248 0.061208 LBFGSLineSearch: 12 16:03:31 1092.270103 0.052680 LBFGSLineSearch: 13 16:03:33 1092.269713 0.036295 LBFGSLineSearch: 14 16:03:36 1092.269579 0.019927 LBFGSLineSearch: 15 16:03:37 1092.269565 0.011497 LBFGSLineSearch: 16 16:03:39 1092.269554 0.010900 LBFGSLineSearch: 17 16:03:41 1092.269533 0.001075 LBFGSLineSearch: 18 16:03:43 1092.269533 0.000055 LBFGSLineSearch: 19 16:03:46 1092.269533 0.000002 Minimization converged after 19 steps. Pressure: 3250.9973544308687 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:03:53 1197.529595 7.518577 LBFGSLineSearch: 1 16:03:55 1195.842860 2.977872 LBFGSLineSearch: 2 16:03:56 1195.560317 2.153973 LBFGSLineSearch: 3 16:03:59 1195.532822 0.388056 LBFGSLineSearch: 4 16:04:01 1195.528571 0.309196 LBFGSLineSearch: 5 16:04:04 1195.527372 0.173241 LBFGSLineSearch: 6 16:04:06 1195.526433 0.179281 LBFGSLineSearch: 7 16:04:09 1195.525659 0.161869 LBFGSLineSearch: 8 16:04:11 1195.524725 0.185023 LBFGSLineSearch: 9 16:04:13 1195.523547 0.154692 LBFGSLineSearch: 10 16:04:15 1195.522120 0.182511 LBFGSLineSearch: 11 16:04:18 1195.521293 0.090583 LBFGSLineSearch: 12 16:04:21 1195.521123 0.045248 LBFGSLineSearch: 13 16:04:25 1195.521000 0.046630 LBFGSLineSearch: 14 16:04:28 1195.520803 0.043656 LBFGSLineSearch: 15 16:04:31 1195.520701 0.011625 LBFGSLineSearch: 16 16:04:33 1195.520688 0.009152 LBFGSLineSearch: 17 16:04:36 1195.520681 0.009275 LBFGSLineSearch: 18 16:04:38 1195.520667 0.003376 LBFGSLineSearch: 19 16:04:41 1195.520666 0.000564 LBFGSLineSearch: 20 16:04:43 1195.520666 0.000196 LBFGSLineSearch: 21 16:04:47 1195.520666 0.000002 Minimization converged after 21 steps. Pressure: 3649.1211495028265 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:04:55 1309.260617 8.124284 LBFGSLineSearch: 1 16:04:57 1307.343870 2.918840 LBFGSLineSearch: 2 16:04:59 1307.103333 2.692336 LBFGSLineSearch: 3 16:05:03 1307.066916 0.611101 LBFGSLineSearch: 4 16:05:06 1307.058213 0.280358 LBFGSLineSearch: 5 16:05:09 1307.056772 0.163208 LBFGSLineSearch: 6 16:05:11 1307.055906 0.168015 LBFGSLineSearch: 7 16:05:13 1307.055420 0.198149 LBFGSLineSearch: 8 16:05:17 1307.052999 0.226257 LBFGSLineSearch: 9 16:05:21 1307.051871 0.197631 LBFGSLineSearch: 10 16:05:24 1307.051244 0.131465 LBFGSLineSearch: 11 16:05:25 1307.050844 0.047178 LBFGSLineSearch: 12 16:05:26 1307.050743 0.042920 LBFGSLineSearch: 13 16:05:27 1307.050676 0.037111 LBFGSLineSearch: 14 16:05:30 1307.050489 0.046061 LBFGSLineSearch: 15 16:05:32 1307.050433 0.016334 LBFGSLineSearch: 16 16:05:35 1307.050422 0.008798 LBFGSLineSearch: 17 16:05:38 1307.050415 0.010324 LBFGSLineSearch: 18 16:05:41 1307.050407 0.002660 LBFGSLineSearch: 19 16:05:43 1307.050407 0.000258 LBFGSLineSearch: 20 16:05:47 1307.050407 0.000013 LBFGSLineSearch: 21 16:05:51 1307.050407 0.000000 Minimization converged after 21 steps. Pressure: 4095.9999999999973 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:06:01 1429.867456 8.772646 LBFGSLineSearch: 1 16:06:05 1427.697326 2.810799 LBFGSLineSearch: 2 16:06:08 1427.510441 3.367240 LBFGSLineSearch: 3 16:06:12 1427.463195 0.974443 LBFGSLineSearch: 4 16:06:16 1427.447405 0.435646 LBFGSLineSearch: 5 16:06:19 1427.444595 0.205586 LBFGSLineSearch: 6 16:06:22 1427.443344 0.160837 LBFGSLineSearch: 7 16:06:26 1427.442744 0.183705 LBFGSLineSearch: 8 16:06:29 1427.439988 0.263827 LBFGSLineSearch: 9 16:06:34 1427.438380 0.127003 LBFGSLineSearch: 10 16:06:38 1427.438152 0.068946 LBFGSLineSearch: 11 16:06:42 1427.438036 0.039353 LBFGSLineSearch: 12 16:06:45 1427.437987 0.033871 LBFGSLineSearch: 13 16:06:47 1427.437843 0.030445 LBFGSLineSearch: 14 16:06:49 1427.437771 0.013071 LBFGSLineSearch: 15 16:06:51 1427.437750 0.008743 LBFGSLineSearch: 16 16:06:54 1427.437743 0.005888 LBFGSLineSearch: 17 16:06:56 1427.437739 0.001862 LBFGSLineSearch: 18 16:06:58 1427.437738 0.000200 LBFGSLineSearch: 19 16:07:02 1427.437738 0.000008 Minimization converged after 19 steps. Pressure: 4597.60454987519 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:07:11 1559.962303 9.466049 LBFGSLineSearch: 1 16:07:13 1557.514913 2.644959 LBFGSLineSearch: 2 16:07:17 1557.356162 2.566481 LBFGSLineSearch: 3 16:07:20 1557.307521 0.547084 LBFGSLineSearch: 4 16:07:23 1557.301056 0.349969 LBFGSLineSearch: 5 16:07:27 1557.299838 0.187014 LBFGSLineSearch: 6 16:07:31 1557.299311 0.171373 LBFGSLineSearch: 7 16:07:33 1557.297205 0.137337 LBFGSLineSearch: 8 16:07:36 1557.294796 0.328572 LBFGSLineSearch: 9 16:07:39 1557.293883 0.110520 LBFGSLineSearch: 10 16:07:42 1557.293649 0.041949 LBFGSLineSearch: 11 16:07:45 1557.293580 0.034534 LBFGSLineSearch: 12 16:07:47 1557.293540 0.034685 LBFGSLineSearch: 13 16:07:49 1557.293385 0.013209 LBFGSLineSearch: 14 16:07:53 1557.293374 0.007924 LBFGSLineSearch: 15 16:07:56 1557.293370 0.006690 LBFGSLineSearch: 16 16:07:59 1557.293365 0.002237 LBFGSLineSearch: 17 16:08:01 1557.293364 0.000276 LBFGSLineSearch: 18 16:08:04 1557.293364 0.000002 Minimization converged after 18 steps. Pressure: 5160.636620369401 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:08:13 1700.189959 10.206900 LBFGSLineSearch: 1 16:08:15 1697.441453 2.411553 LBFGSLineSearch: 2 16:08:18 1697.329488 2.494095 LBFGSLineSearch: 3 16:08:21 1697.278743 0.674202 LBFGSLineSearch: 4 16:08:24 1697.269514 0.468844 LBFGSLineSearch: 5 16:08:27 1697.267617 0.206586 LBFGSLineSearch: 6 16:08:29 1697.267068 0.194276 LBFGSLineSearch: 7 16:08:31 1697.265132 0.166309 LBFGSLineSearch: 8 16:08:33 1697.263242 0.462570 LBFGSLineSearch: 9 16:08:35 1697.261245 0.145698 LBFGSLineSearch: 10 16:08:38 1697.260834 0.057626 LBFGSLineSearch: 11 16:08:41 1697.260743 0.038824 LBFGSLineSearch: 12 16:08:45 1697.260712 0.029014 LBFGSLineSearch: 13 16:08:47 1697.260628 0.017854 LBFGSLineSearch: 14 16:08:49 1697.260599 0.005684 LBFGSLineSearch: 15 16:08:51 1697.260597 0.006239 LBFGSLineSearch: 16 16:08:55 1697.260594 0.004805 LBFGSLineSearch: 17 16:08:58 1697.260593 0.000958 LBFGSLineSearch: 18 16:08:59 1697.260593 0.000010 LBFGSLineSearch: 19 16:09:02 1697.260593 0.000000 Minimization converged after 19 steps. Pressure: 5792.618751480189 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:09:11 1851.228692 10.997721 LBFGSLineSearch: 1 16:09:12 1848.155940 2.099848 LBFGSLineSearch: 2 16:09:15 1848.083691 2.187550 LBFGSLineSearch: 3 16:09:17 1848.038348 0.737873 LBFGSLineSearch: 4 16:09:21 1848.026786 0.600373 LBFGSLineSearch: 5 16:09:24 1848.023910 0.229989 LBFGSLineSearch: 6 16:09:27 1848.023241 0.220368 LBFGSLineSearch: 7 16:09:29 1848.021364 0.194073 LBFGSLineSearch: 8 16:09:30 1848.019352 0.306292 LBFGSLineSearch: 9 16:09:33 1848.016576 0.138918 LBFGSLineSearch: 10 16:09:36 1848.016123 0.043482 LBFGSLineSearch: 11 16:09:40 1848.016064 0.034453 LBFGSLineSearch: 12 16:09:44 1848.016044 0.021604 LBFGSLineSearch: 13 16:09:48 1848.016008 0.018909 LBFGSLineSearch: 14 16:09:51 1848.015986 0.009102 LBFGSLineSearch: 15 16:09:54 1848.015981 0.004501 LBFGSLineSearch: 16 16:09:57 1848.015980 0.003637 LBFGSLineSearch: 17 16:10:00 1848.015978 0.000123 LBFGSLineSearch: 18 16:10:03 1848.015978 0.000001 Minimization converged after 18 steps. Pressure: 6501.994708861737 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:10:11 2013.790540 11.841041 LBFGSLineSearch: 1 16:10:13 2010.372041 1.698582 LBFGSLineSearch: 2 16:10:15 2010.327763 1.676139 LBFGSLineSearch: 3 16:10:20 2010.294479 0.681093 LBFGSLineSearch: 4 16:10:23 2010.283029 0.701185 LBFGSLineSearch: 5 16:10:25 2010.279025 0.258339 LBFGSLineSearch: 6 16:10:27 2010.278119 0.249752 LBFGSLineSearch: 7 16:10:29 2010.276286 0.232979 LBFGSLineSearch: 8 16:10:31 2010.274397 0.364283 LBFGSLineSearch: 9 16:10:33 2010.270723 0.200403 LBFGSLineSearch: 10 16:10:36 2010.269856 0.071605 LBFGSLineSearch: 11 16:10:41 2010.269728 0.014641 LBFGSLineSearch: 12 16:10:43 2010.269725 0.011895 LBFGSLineSearch: 13 16:10:45 2010.269719 0.011064 LBFGSLineSearch: 14 16:10:48 2010.269707 0.015423 LBFGSLineSearch: 15 16:10:50 2010.269702 0.005559 LBFGSLineSearch: 16 16:10:52 2010.269701 0.002237 LBFGSLineSearch: 17 16:10:55 2010.269701 0.001700 LBFGSLineSearch: 18 16:10:58 2010.269701 0.000531 LBFGSLineSearch: 19 16:11:02 2010.269701 0.000000 Minimization converged after 19 steps. Pressure: 7298.242299005653 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:11:10 2188.621443 12.739410 LBFGSLineSearch: 1 16:11:13 2184.838465 1.497006 LBFGSLineSearch: 2 16:11:16 2184.809691 1.441159 LBFGSLineSearch: 3 16:11:20 2184.789036 0.620871 LBFGSLineSearch: 4 16:11:24 2184.781536 0.665781 LBFGSLineSearch: 5 16:11:28 2184.777046 0.293287 LBFGSLineSearch: 6 16:11:30 2184.775733 0.284800 LBFGSLineSearch: 7 16:11:33 2184.773983 0.320131 LBFGSLineSearch: 8 16:11:35 2184.771813 0.441915 LBFGSLineSearch: 9 16:11:38 2184.767503 0.249246 LBFGSLineSearch: 10 16:11:41 2184.766109 0.130220 LBFGSLineSearch: 11 16:11:43 2184.765740 0.090753 LBFGSLineSearch: 12 16:11:47 2184.765649 0.028415 LBFGSLineSearch: 13 16:11:50 2184.765633 0.008766 LBFGSLineSearch: 14 16:11:53 2184.765631 0.002894 LBFGSLineSearch: 15 16:11:57 2184.765630 0.003022 LBFGSLineSearch: 16 16:12:01 2184.765630 0.001852 LBFGSLineSearch: 17 16:12:03 2184.765630 0.000409 LBFGSLineSearch: 18 16:12:05 2184.765630 0.000183 LBFGSLineSearch: 19 16:12:08 2184.765630 0.000013 LBFGSLineSearch: 20 16:12:11 2184.765630 0.000000 Minimization converged after 20 steps. Pressure: 8191.999999999995 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:12:19 2376.500807 13.695370 Failed to get energy or crystal structure at pressure 8191.999999999995 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.') Pressure: 0.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:12:22 -72.639043 0.000518 LBFGSLineSearch: 1 16:12:25 -72.639043 0.000229 LBFGSLineSearch: 2 16:12:27 -72.639043 0.000147 LBFGSLineSearch: 3 16:12:29 -72.639043 0.000063 LBFGSLineSearch: 4 16:12:32 -72.639043 0.000058 LBFGSLineSearch: 5 16:12:35 -72.639043 0.000018 LBFGSLineSearch: 6 16:12:38 -72.639043 0.000012 LBFGSLineSearch: 7 16:12:41 -72.639043 0.000005 Minimization converged after 7 steps. Pressure: -0.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:12:50 -73.051170 0.029438 LBFGSLineSearch: 1 16:12:54 -73.051498 0.010761 LBFGSLineSearch: 2 16:12:56 -73.051533 0.007565 LBFGSLineSearch: 3 16:13:00 -73.051555 0.009925 LBFGSLineSearch: 4 16:13:03 -73.051577 0.004270 LBFGSLineSearch: 5 16:13:05 -73.051584 0.002405 LBFGSLineSearch: 6 16:13:07 -73.051585 0.002347 LBFGSLineSearch: 7 16:13:10 -73.051586 0.002219 LBFGSLineSearch: 8 16:13:12 -73.051587 0.002217 LBFGSLineSearch: 9 16:13:15 -73.051589 0.001390 LBFGSLineSearch: 10 16:13:16 -73.051589 0.001279 LBFGSLineSearch: 11 16:13:18 -73.051590 0.001369 LBFGSLineSearch: 12 16:13:21 -73.051590 0.000914 LBFGSLineSearch: 13 16:13:23 -73.051591 0.000305 LBFGSLineSearch: 14 16:13:25 -73.051591 0.000270 LBFGSLineSearch: 15 16:13:27 -73.051591 0.000243 LBFGSLineSearch: 16 16:13:29 -73.051591 0.000118 LBFGSLineSearch: 17 16:13:32 -73.051591 0.000122 LBFGSLineSearch: 18 16:13:34 -73.051591 0.000095 LBFGSLineSearch: 19 16:13:36 -73.051591 0.000074 LBFGSLineSearch: 20 16:13:38 -73.051591 0.000061 LBFGSLineSearch: 21 16:13:40 -73.051591 0.000061 LBFGSLineSearch: 22 16:13:42 -73.051591 0.000060 LBFGSLineSearch: 23 16:13:46 -73.051591 0.000033 LBFGSLineSearch: 24 16:13:49 -73.051591 0.000009 Minimization converged after 24 steps. Pressure: -1.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:13:57 -73.464561 0.029501 LBFGSLineSearch: 1 16:14:00 -73.464892 0.010826 LBFGSLineSearch: 2 16:14:04 -73.464927 0.007566 LBFGSLineSearch: 3 16:14:08 -73.464950 0.009914 LBFGSLineSearch: 4 16:14:11 -73.464972 0.004233 LBFGSLineSearch: 5 16:14:14 -73.464979 0.002358 LBFGSLineSearch: 6 16:14:16 -73.464980 0.002293 LBFGSLineSearch: 7 16:14:20 -73.464981 0.002160 LBFGSLineSearch: 8 16:14:23 -73.464982 0.002085 LBFGSLineSearch: 9 16:14:26 -73.464983 0.001386 LBFGSLineSearch: 10 16:14:28 -73.464984 0.001234 LBFGSLineSearch: 11 16:14:30 -73.464984 0.001365 LBFGSLineSearch: 12 16:14:32 -73.464985 0.000902 LBFGSLineSearch: 13 16:14:35 -73.464985 0.000292 LBFGSLineSearch: 14 16:14:37 -73.464985 0.000255 LBFGSLineSearch: 15 16:14:39 -73.464985 0.000213 LBFGSLineSearch: 16 16:14:41 -73.464985 0.000102 LBFGSLineSearch: 17 16:14:43 -73.464985 0.000097 LBFGSLineSearch: 18 16:14:45 -73.464985 0.000066 LBFGSLineSearch: 19 16:14:49 -73.464985 0.000058 LBFGSLineSearch: 20 16:14:52 -73.464985 0.000056 LBFGSLineSearch: 21 16:14:55 -73.464985 0.000029 LBFGSLineSearch: 22 16:14:57 -73.464985 0.000039 LBFGSLineSearch: 23 16:14:59 -73.464985 0.000025 LBFGSLineSearch: 24 16:15:02 -73.464985 0.000007 Minimization converged after 24 steps. Pressure: -1.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:15:10 -73.878806 0.029561 LBFGSLineSearch: 1 16:15:13 -73.879140 0.010899 LBFGSLineSearch: 2 16:15:15 -73.879176 0.007567 LBFGSLineSearch: 3 16:15:18 -73.879199 0.009907 LBFGSLineSearch: 4 16:15:21 -73.879221 0.004200 LBFGSLineSearch: 5 16:15:24 -73.879228 0.002313 LBFGSLineSearch: 6 16:15:25 -73.879229 0.002239 LBFGSLineSearch: 7 16:15:28 -73.879230 0.002103 LBFGSLineSearch: 8 16:15:31 -73.879231 0.001963 LBFGSLineSearch: 9 16:15:33 -73.879232 0.001380 LBFGSLineSearch: 10 16:15:36 -73.879233 0.001185 LBFGSLineSearch: 11 16:15:40 -73.879233 0.001358 LBFGSLineSearch: 12 16:15:43 -73.879234 0.000888 LBFGSLineSearch: 13 16:15:46 -73.879234 0.000281 LBFGSLineSearch: 14 16:15:47 -73.879234 0.000241 LBFGSLineSearch: 15 16:15:51 -73.879234 0.000186 LBFGSLineSearch: 16 16:15:53 -73.879234 0.000090 LBFGSLineSearch: 17 16:15:55 -73.879234 0.000086 LBFGSLineSearch: 18 16:15:58 -73.879234 0.000055 LBFGSLineSearch: 19 16:16:01 -73.879234 0.000050 LBFGSLineSearch: 20 16:16:02 -73.879234 0.000048 LBFGSLineSearch: 21 16:16:04 -73.879234 0.000023 LBFGSLineSearch: 22 16:16:06 -73.879234 0.000033 LBFGSLineSearch: 23 16:16:09 -73.879234 0.000004 Minimization converged after 23 steps. Pressure: -2.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:16:16 -74.293913 0.029621 LBFGSLineSearch: 1 16:16:18 -74.294251 0.010972 LBFGSLineSearch: 2 16:16:21 -74.294288 0.007568 LBFGSLineSearch: 3 16:16:22 -74.294311 0.009904 LBFGSLineSearch: 4 16:16:24 -74.294333 0.004169 LBFGSLineSearch: 5 16:16:26 -74.294340 0.002270 LBFGSLineSearch: 6 16:16:27 -74.294341 0.002187 LBFGSLineSearch: 7 16:16:29 -74.294341 0.002048 LBFGSLineSearch: 8 16:16:31 -74.294342 0.001884 LBFGSLineSearch: 9 16:16:33 -74.294344 0.001374 LBFGSLineSearch: 10 16:16:34 -74.294344 0.001135 LBFGSLineSearch: 11 16:16:36 -74.294345 0.001345 LBFGSLineSearch: 12 16:16:39 -74.294345 0.000875 LBFGSLineSearch: 13 16:16:41 -74.294345 0.000272 LBFGSLineSearch: 14 16:16:42 -74.294345 0.000229 LBFGSLineSearch: 15 16:16:44 -74.294345 0.000161 LBFGSLineSearch: 16 16:16:45 -74.294345 0.000079 LBFGSLineSearch: 17 16:16:48 -74.294345 0.000072 LBFGSLineSearch: 18 16:16:49 -74.294345 0.000078 LBFGSLineSearch: 19 16:16:50 -74.294345 0.000045 LBFGSLineSearch: 20 16:16:52 -74.294345 0.000040 LBFGSLineSearch: 21 16:16:54 -74.294345 0.000027 LBFGSLineSearch: 22 16:16:57 -74.294345 0.000030 LBFGSLineSearch: 23 16:16:58 -74.294345 0.000001 Minimization converged after 23 steps. Pressure: -2.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:17:05 -74.709891 0.029682 LBFGSLineSearch: 1 16:17:07 -74.710233 0.011047 LBFGSLineSearch: 2 16:17:10 -74.710271 0.007568 LBFGSLineSearch: 3 16:17:12 -74.710294 0.009903 LBFGSLineSearch: 4 16:17:14 -74.710316 0.004139 LBFGSLineSearch: 5 16:17:17 -74.710323 0.002230 LBFGSLineSearch: 6 16:17:18 -74.710324 0.002139 LBFGSLineSearch: 7 16:17:20 -74.710324 0.001997 LBFGSLineSearch: 8 16:17:22 -74.710325 0.001853 LBFGSLineSearch: 9 16:17:23 -74.710326 0.001368 LBFGSLineSearch: 10 16:17:25 -74.710327 0.001085 LBFGSLineSearch: 11 16:17:26 -74.710327 0.001327 LBFGSLineSearch: 12 16:17:28 -74.710328 0.000863 LBFGSLineSearch: 13 16:17:30 -74.710328 0.000263 LBFGSLineSearch: 14 16:17:32 -74.710328 0.000219 LBFGSLineSearch: 15 16:17:34 -74.710328 0.000143 LBFGSLineSearch: 16 16:17:35 -74.710328 0.000064 LBFGSLineSearch: 17 16:17:37 -74.710328 0.000067 LBFGSLineSearch: 18 16:17:38 -74.710328 0.000066 LBFGSLineSearch: 19 16:17:41 -74.710328 0.000037 LBFGSLineSearch: 20 16:17:44 -74.710328 0.000035 LBFGSLineSearch: 21 16:17:47 -74.710328 0.000033 LBFGSLineSearch: 22 16:17:48 -74.710328 0.000027 LBFGSLineSearch: 23 16:17:51 -74.710328 0.000001 Minimization converged after 23 steps. Pressure: -3.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:17:59 -75.126749 0.029745 LBFGSLineSearch: 1 16:18:03 -75.127095 0.011121 LBFGSLineSearch: 2 16:18:04 -75.127133 0.007567 LBFGSLineSearch: 3 16:18:07 -75.127156 0.009903 LBFGSLineSearch: 4 16:18:09 -75.127179 0.004110 LBFGSLineSearch: 5 16:18:11 -75.127186 0.002191 LBFGSLineSearch: 6 16:18:12 -75.127186 0.002093 LBFGSLineSearch: 7 16:18:15 -75.127187 0.001948 LBFGSLineSearch: 8 16:18:18 -75.127188 0.001823 LBFGSLineSearch: 9 16:18:20 -75.127189 0.001361 LBFGSLineSearch: 10 16:18:21 -75.127189 0.001035 LBFGSLineSearch: 11 16:18:22 -75.127190 0.001306 LBFGSLineSearch: 12 16:18:23 -75.127190 0.000852 LBFGSLineSearch: 13 16:18:25 -75.127191 0.000256 LBFGSLineSearch: 14 16:18:26 -75.127191 0.000210 LBFGSLineSearch: 15 16:18:27 -75.127191 0.000130 LBFGSLineSearch: 16 16:18:28 -75.127191 0.000065 LBFGSLineSearch: 17 16:18:30 -75.127191 0.000058 LBFGSLineSearch: 18 16:18:33 -75.127191 0.000043 LBFGSLineSearch: 19 16:18:35 -75.127191 0.000044 LBFGSLineSearch: 20 16:18:37 -75.127191 0.000025 LBFGSLineSearch: 21 16:18:38 -75.127191 0.000033 LBFGSLineSearch: 22 16:18:40 -75.127191 0.000015 LBFGSLineSearch: 23 16:18:42 -75.127191 0.000004 Minimization converged after 23 steps. Pressure: -3.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:18:48 -75.544496 0.029809 LBFGSLineSearch: 1 16:18:50 -75.544846 0.011197 LBFGSLineSearch: 2 16:18:53 -75.544885 0.007563 LBFGSLineSearch: 3 16:18:55 -75.544908 0.009903 LBFGSLineSearch: 4 16:18:59 -75.544931 0.004083 LBFGSLineSearch: 5 16:19:03 -75.544938 0.002156 LBFGSLineSearch: 6 16:19:05 -75.544938 0.002049 LBFGSLineSearch: 7 16:19:07 -75.544939 0.001902 LBFGSLineSearch: 8 16:19:10 -75.544940 0.001794 LBFGSLineSearch: 9 16:19:12 -75.544941 0.001353 LBFGSLineSearch: 10 16:19:14 -75.544941 0.000986 LBFGSLineSearch: 11 16:19:15 -75.544942 0.001281 LBFGSLineSearch: 12 16:19:17 -75.544942 0.000840 LBFGSLineSearch: 13 16:19:19 -75.544942 0.000249 LBFGSLineSearch: 14 16:19:20 -75.544942 0.000202 LBFGSLineSearch: 15 16:19:21 -75.544942 0.000119 LBFGSLineSearch: 16 16:19:22 -75.544942 0.000050 LBFGSLineSearch: 17 16:19:25 -75.544942 0.000054 LBFGSLineSearch: 18 16:19:27 -75.544942 0.000038 LBFGSLineSearch: 19 16:19:28 -75.544942 0.000031 LBFGSLineSearch: 20 16:19:29 -75.544942 0.000023 LBFGSLineSearch: 21 16:19:30 -75.544942 0.000032 LBFGSLineSearch: 22 16:19:32 -75.544942 0.000012 LBFGSLineSearch: 23 16:19:33 -75.544942 0.000006 Minimization converged after 23 steps. Pressure: -4.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:19:40 -75.963142 0.029875 LBFGSLineSearch: 1 16:19:43 -75.963496 0.011273 LBFGSLineSearch: 2 16:19:45 -75.963536 0.007561 LBFGSLineSearch: 3 16:19:47 -75.963559 0.009906 LBFGSLineSearch: 4 16:19:49 -75.963582 0.004057 LBFGSLineSearch: 5 16:19:52 -75.963589 0.002122 LBFGSLineSearch: 6 16:19:53 -75.963589 0.002008 LBFGSLineSearch: 7 16:19:55 -75.963590 0.001859 LBFGSLineSearch: 8 16:19:58 -75.963591 0.001766 LBFGSLineSearch: 9 16:20:00 -75.963592 0.001344 LBFGSLineSearch: 10 16:20:01 -75.963592 0.000977 LBFGSLineSearch: 11 16:20:03 -75.963592 0.001254 LBFGSLineSearch: 12 16:20:05 -75.963593 0.000829 LBFGSLineSearch: 13 16:20:07 -75.963593 0.000243 LBFGSLineSearch: 14 16:20:09 -75.963593 0.000195 LBFGSLineSearch: 15 16:20:11 -75.963593 0.000109 LBFGSLineSearch: 16 16:20:13 -75.963593 0.000047 LBFGSLineSearch: 17 16:20:14 -75.963593 0.000051 LBFGSLineSearch: 18 16:20:16 -75.963593 0.000039 LBFGSLineSearch: 19 16:20:18 -75.963593 0.000022 LBFGSLineSearch: 20 16:20:20 -75.963593 0.000027 LBFGSLineSearch: 21 16:20:22 -75.963593 0.000026 LBFGSLineSearch: 22 16:20:24 -75.963593 0.000008 Minimization converged after 22 steps. Pressure: -4.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:20:31 -76.382697 0.029942 LBFGSLineSearch: 1 16:20:34 -76.383055 0.011350 LBFGSLineSearch: 2 16:20:37 -76.383095 0.007559 LBFGSLineSearch: 3 16:20:40 -76.383119 0.009911 LBFGSLineSearch: 4 16:20:43 -76.383141 0.004032 LBFGSLineSearch: 5 16:20:44 -76.383148 0.002091 LBFGSLineSearch: 6 16:20:46 -76.383149 0.001969 LBFGSLineSearch: 7 16:20:48 -76.383150 0.001818 LBFGSLineSearch: 8 16:20:50 -76.383150 0.001738 LBFGSLineSearch: 9 16:20:52 -76.383151 0.001334 LBFGSLineSearch: 10 16:20:53 -76.383151 0.000979 LBFGSLineSearch: 11 16:20:54 -76.383152 0.001225 LBFGSLineSearch: 12 16:20:56 -76.383152 0.000817 LBFGSLineSearch: 13 16:20:57 -76.383153 0.000238 LBFGSLineSearch: 14 16:20:59 -76.383153 0.000189 LBFGSLineSearch: 15 16:21:00 -76.383153 0.000101 LBFGSLineSearch: 16 16:21:02 -76.383153 0.000046 LBFGSLineSearch: 17 16:21:03 -76.383153 0.000050 LBFGSLineSearch: 18 16:21:05 -76.383153 0.000042 LBFGSLineSearch: 19 16:21:06 -76.383153 0.000025 LBFGSLineSearch: 20 16:21:08 -76.383153 0.000030 LBFGSLineSearch: 21 16:21:10 -76.383153 0.000015 LBFGSLineSearch: 22 16:21:13 -76.383153 0.000014 LBFGSLineSearch: 23 16:21:15 -76.383153 0.000008 Minimization converged after 23 steps. Pressure: -5.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:21:21 -76.803170 0.030007 LBFGSLineSearch: 1 16:21:22 -76.803533 0.011428 LBFGSLineSearch: 2 16:21:25 -76.803573 0.007555 LBFGSLineSearch: 3 16:21:28 -76.803597 0.009917 LBFGSLineSearch: 4 16:21:29 -76.803620 0.004010 LBFGSLineSearch: 5 16:21:31 -76.803627 0.002061 LBFGSLineSearch: 6 16:21:33 -76.803628 0.001932 LBFGSLineSearch: 7 16:21:34 -76.803628 0.001779 LBFGSLineSearch: 8 16:21:36 -76.803629 0.001711 LBFGSLineSearch: 9 16:21:37 -76.803630 0.001324 LBFGSLineSearch: 10 16:21:38 -76.803630 0.000981 LBFGSLineSearch: 11 16:21:40 -76.803630 0.001195 LBFGSLineSearch: 12 16:21:42 -76.803631 0.000805 LBFGSLineSearch: 13 16:21:44 -76.803631 0.000238 LBFGSLineSearch: 14 16:21:46 -76.803631 0.000183 LBFGSLineSearch: 15 16:21:47 -76.803631 0.000094 LBFGSLineSearch: 16 16:21:49 -76.803631 0.000047 LBFGSLineSearch: 17 16:21:51 -76.803631 0.000051 LBFGSLineSearch: 18 16:21:53 -76.803631 0.000046 LBFGSLineSearch: 19 16:21:55 -76.803631 0.000033 LBFGSLineSearch: 20 16:21:58 -76.803631 0.000009 Minimization converged after 20 steps. Pressure: -5.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:22:04 -77.224573 0.030075 LBFGSLineSearch: 1 16:22:07 -77.224940 0.011510 LBFGSLineSearch: 2 16:22:09 -77.224981 0.007558 LBFGSLineSearch: 3 16:22:10 -77.225005 0.009928 LBFGSLineSearch: 4 16:22:13 -77.225028 0.003988 LBFGSLineSearch: 5 16:22:14 -77.225035 0.002033 LBFGSLineSearch: 6 16:22:15 -77.225036 0.001897 LBFGSLineSearch: 7 16:22:17 -77.225036 0.001741 LBFGSLineSearch: 8 16:22:20 -77.225037 0.001684 LBFGSLineSearch: 9 16:22:21 -77.225038 0.001313 LBFGSLineSearch: 10 16:22:23 -77.225038 0.000982 LBFGSLineSearch: 11 16:22:25 -77.225038 0.001163 LBFGSLineSearch: 12 16:22:27 -77.225039 0.000792 LBFGSLineSearch: 13 16:22:29 -77.225039 0.000250 LBFGSLineSearch: 14 16:22:30 -77.225039 0.000178 LBFGSLineSearch: 15 16:22:31 -77.225039 0.000089 LBFGSLineSearch: 16 16:22:34 -77.225039 0.000050 LBFGSLineSearch: 17 16:22:37 -77.225039 0.000055 LBFGSLineSearch: 18 16:22:40 -77.225039 0.000050 LBFGSLineSearch: 19 16:22:43 -77.225039 0.000027 LBFGSLineSearch: 20 16:22:45 -77.225039 0.000046 LBFGSLineSearch: 21 16:22:48 -77.225039 0.000023 LBFGSLineSearch: 22 16:22:51 -77.225039 0.000005 Minimization converged after 22 steps. Pressure: -6.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:23:00 -77.646916 0.030139 LBFGSLineSearch: 1 16:23:05 -77.647287 0.011586 LBFGSLineSearch: 2 16:23:08 -77.647330 0.007546 LBFGSLineSearch: 3 16:23:11 -77.647353 0.009932 LBFGSLineSearch: 4 16:23:13 -77.647377 0.003968 LBFGSLineSearch: 5 16:23:16 -77.647384 0.002007 LBFGSLineSearch: 6 16:23:19 -77.647385 0.001864 LBFGSLineSearch: 7 16:23:22 -77.647385 0.001707 LBFGSLineSearch: 8 16:23:26 -77.647386 0.001659 LBFGSLineSearch: 9 16:23:30 -77.647387 0.001301 LBFGSLineSearch: 10 16:23:32 -77.647387 0.000981 LBFGSLineSearch: 11 16:23:34 -77.647387 0.001134 LBFGSLineSearch: 12 16:23:38 -77.647388 0.000780 LBFGSLineSearch: 13 16:23:41 -77.647388 0.000261 LBFGSLineSearch: 14 16:23:43 -77.647388 0.000174 LBFGSLineSearch: 15 16:23:45 -77.647388 0.000085 LBFGSLineSearch: 16 16:23:49 -77.647388 0.000054 LBFGSLineSearch: 17 16:23:52 -77.647388 0.000059 LBFGSLineSearch: 18 16:23:56 -77.647388 0.000080 LBFGSLineSearch: 19 16:23:59 -77.647388 0.000052 LBFGSLineSearch: 20 16:24:02 -77.647388 0.000036 LBFGSLineSearch: 21 16:24:04 -77.647388 0.000024 LBFGSLineSearch: 22 16:24:08 -77.647388 0.000035 LBFGSLineSearch: 23 16:24:12 -77.647388 0.000003 Minimization converged after 23 steps. Pressure: -6.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:24:19 -78.070211 0.030204 LBFGSLineSearch: 1 16:24:24 -78.070587 0.011668 LBFGSLineSearch: 2 16:24:27 -78.070630 0.007542 LBFGSLineSearch: 3 16:24:31 -78.070654 0.009943 LBFGSLineSearch: 4 16:24:34 -78.070678 0.003949 LBFGSLineSearch: 5 16:24:39 -78.070685 0.001984 LBFGSLineSearch: 6 16:24:42 -78.070685 0.001868 LBFGSLineSearch: 7 16:24:46 -78.070686 0.001673 LBFGSLineSearch: 8 16:24:50 -78.070687 0.001634 LBFGSLineSearch: 9 16:24:55 -78.070687 0.001289 LBFGSLineSearch: 10 16:24:58 -78.070688 0.000979 LBFGSLineSearch: 11 16:25:00 -78.070688 0.001104 LBFGSLineSearch: 12 16:25:03 -78.070688 0.000768 LBFGSLineSearch: 13 16:25:07 -78.070689 0.000271 LBFGSLineSearch: 14 16:25:10 -78.070689 0.000170 LBFGSLineSearch: 15 16:25:14 -78.070689 0.000082 LBFGSLineSearch: 16 16:25:19 -78.070689 0.000058 LBFGSLineSearch: 17 16:25:23 -78.070689 0.000063 LBFGSLineSearch: 18 16:25:26 -78.070689 0.000068 LBFGSLineSearch: 19 16:25:28 -78.070689 0.000044 LBFGSLineSearch: 20 16:25:30 -78.070689 0.000046 LBFGSLineSearch: 21 16:25:32 -78.070689 0.000037 LBFGSLineSearch: 22 16:25:35 -78.070689 0.000035 LBFGSLineSearch: 23 16:25:39 -78.070689 0.000004 Minimization converged after 23 steps. Pressure: -7.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:25:47 -78.494469 0.030271 LBFGSLineSearch: 1 16:25:53 -78.494850 0.011754 LBFGSLineSearch: 2 16:25:57 -78.494894 0.007536 LBFGSLineSearch: 3 16:26:01 -78.494918 0.009958 LBFGSLineSearch: 4 16:26:06 -78.494942 0.003929 LBFGSLineSearch: 5 16:26:10 -78.494949 0.001963 LBFGSLineSearch: 6 16:26:14 -78.494950 0.001893 LBFGSLineSearch: 7 16:26:18 -78.494951 0.001641 LBFGSLineSearch: 8 16:26:22 -78.494951 0.001611 LBFGSLineSearch: 9 16:26:27 -78.494952 0.001276 LBFGSLineSearch: 10 16:26:29 -78.494952 0.000977 LBFGSLineSearch: 11 16:26:32 -78.494953 0.001075 LBFGSLineSearch: 12 16:26:35 -78.494953 0.000753 LBFGSLineSearch: 13 16:26:38 -78.494953 0.000280 LBFGSLineSearch: 14 16:26:41 -78.494953 0.000167 LBFGSLineSearch: 15 16:26:44 -78.494953 0.000082 LBFGSLineSearch: 16 16:26:47 -78.494953 0.000063 LBFGSLineSearch: 17 16:26:50 -78.494953 0.000067 LBFGSLineSearch: 18 16:26:53 -78.494953 0.000063 LBFGSLineSearch: 19 16:26:56 -78.494953 0.000076 LBFGSLineSearch: 20 16:26:59 -78.494953 0.000067 LBFGSLineSearch: 21 16:27:03 -78.494953 0.000043 LBFGSLineSearch: 22 16:27:04 -78.494953 0.000034 LBFGSLineSearch: 23 16:27:09 -78.494953 0.000015 LBFGSLineSearch: 24 16:27:13 -78.494953 0.000003 Minimization converged after 24 steps. Pressure: -7.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:27:20 -78.919704 0.030342 LBFGSLineSearch: 1 16:27:23 -78.920089 0.011834 LBFGSLineSearch: 2 16:27:27 -78.920134 0.007532 LBFGSLineSearch: 3 16:27:30 -78.920159 0.009970 LBFGSLineSearch: 4 16:27:34 -78.920183 0.003915 LBFGSLineSearch: 5 16:27:37 -78.920190 0.001944 LBFGSLineSearch: 6 16:27:39 -78.920191 0.001919 LBFGSLineSearch: 7 16:27:43 -78.920191 0.001611 LBFGSLineSearch: 8 16:27:46 -78.920192 0.001589 LBFGSLineSearch: 9 16:27:51 -78.920193 0.001264 LBFGSLineSearch: 10 16:27:54 -78.920193 0.000974 LBFGSLineSearch: 11 16:27:57 -78.920193 0.001048 LBFGSLineSearch: 12 16:28:01 -78.920194 0.000744 LBFGSLineSearch: 13 16:28:05 -78.920194 0.000289 LBFGSLineSearch: 14 16:28:08 -78.920194 0.000164 LBFGSLineSearch: 15 16:28:10 -78.920194 0.000084 LBFGSLineSearch: 16 16:28:13 -78.920194 0.000080 LBFGSLineSearch: 17 16:28:17 -78.920194 0.000070 LBFGSLineSearch: 18 16:28:20 -78.920194 0.000068 LBFGSLineSearch: 19 16:28:23 -78.920194 0.000073 LBFGSLineSearch: 20 16:28:26 -78.920194 0.000045 LBFGSLineSearch: 21 16:28:29 -78.920194 0.000056 LBFGSLineSearch: 22 16:28:30 -78.920194 0.000036 LBFGSLineSearch: 23 16:28:32 -78.920194 0.000026 LBFGSLineSearch: 24 16:28:35 -78.920194 0.000024 LBFGSLineSearch: 25 16:28:37 -78.920194 0.000021 LBFGSLineSearch: 26 16:28:39 -78.920194 0.000006 Minimization converged after 26 steps. Pressure: -8.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:28:47 -79.345927 0.030414 LBFGSLineSearch: 1 16:28:51 -79.346317 0.011920 LBFGSLineSearch: 2 16:28:53 -79.346363 0.007535 LBFGSLineSearch: 3 16:28:56 -79.346388 0.009988 LBFGSLineSearch: 4 16:29:00 -79.346412 0.003901 LBFGSLineSearch: 5 16:29:03 -79.346419 0.001937 LBFGSLineSearch: 6 16:29:06 -79.346420 0.001945 LBFGSLineSearch: 7 16:29:11 -79.346421 0.001582 LBFGSLineSearch: 8 16:29:14 -79.346421 0.001568 LBFGSLineSearch: 9 16:29:20 -79.346422 0.000999 LBFGSLineSearch: 10 16:29:25 -79.346423 0.000807 LBFGSLineSearch: 11 16:29:29 -79.346423 0.000675 LBFGSLineSearch: 12 16:29:33 -79.346423 0.000220 LBFGSLineSearch: 13 16:29:36 -79.346423 0.000088 LBFGSLineSearch: 14 16:29:39 -79.346423 0.000073 LBFGSLineSearch: 15 16:29:42 -79.346423 0.000078 LBFGSLineSearch: 16 16:29:44 -79.346423 0.000076 LBFGSLineSearch: 17 16:29:46 -79.346423 0.000078 LBFGSLineSearch: 18 16:29:50 -79.346423 0.000054 LBFGSLineSearch: 19 16:29:53 -79.346423 0.000060 LBFGSLineSearch: 20 16:29:56 -79.346423 0.000042 LBFGSLineSearch: 21 16:29:59 -79.346423 0.000029 LBFGSLineSearch: 22 16:30:03 -79.346423 0.000027 LBFGSLineSearch: 23 16:30:06 -79.346423 0.000009 Minimization converged after 23 steps. Pressure: -8.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:30:12 -79.773151 0.030488 LBFGSLineSearch: 1 16:30:17 -79.773547 0.012006 LBFGSLineSearch: 2 16:30:21 -79.773594 0.007570 LBFGSLineSearch: 3 16:30:24 -79.773614 0.008746 LBFGSLineSearch: 4 16:30:28 -79.773632 0.006634 LBFGSLineSearch: 5 16:30:30 -79.773642 0.004598 LBFGSLineSearch: 6 16:30:32 -79.773646 0.003070 LBFGSLineSearch: 7 16:30:35 -79.773649 0.003086 LBFGSLineSearch: 8 16:30:38 -79.773651 0.002778 LBFGSLineSearch: 9 16:30:42 -79.773652 0.001689 LBFGSLineSearch: 10 16:30:45 -79.773652 0.001592 LBFGSLineSearch: 11 16:30:50 -79.773653 0.001449 LBFGSLineSearch: 12 16:30:54 -79.773653 0.001243 LBFGSLineSearch: 13 16:30:58 -79.773654 0.000854 LBFGSLineSearch: 14 16:31:03 -79.773654 0.000845 LBFGSLineSearch: 15 16:31:07 -79.773654 0.000598 LBFGSLineSearch: 16 16:31:10 -79.773654 0.000338 LBFGSLineSearch: 17 16:31:13 -79.773654 0.000098 LBFGSLineSearch: 18 16:31:16 -79.773654 0.000123 LBFGSLineSearch: 19 16:31:19 -79.773654 0.000089 LBFGSLineSearch: 20 16:31:24 -79.773654 0.000074 LBFGSLineSearch: 21 16:31:28 -79.773654 0.000069 LBFGSLineSearch: 22 16:31:32 -79.773654 0.000061 LBFGSLineSearch: 23 16:31:36 -79.773654 0.000055 LBFGSLineSearch: 24 16:31:38 -79.773654 0.000087 LBFGSLineSearch: 25 16:31:42 -79.773654 0.000083 LBFGSLineSearch: 26 16:31:45 -79.773654 0.000014 LBFGSLineSearch: 27 16:31:48 -79.773654 0.000011 LBFGSLineSearch: 28 16:31:52 -79.773654 0.000002 Minimization converged after 28 steps. Pressure: -9.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:32:01 -80.201391 0.030553 LBFGSLineSearch: 1 16:32:06 -80.201792 0.012100 LBFGSLineSearch: 2 16:32:09 -80.201840 0.007606 LBFGSLineSearch: 3 16:32:11 -80.201860 0.008771 LBFGSLineSearch: 4 16:32:14 -80.201878 0.006665 LBFGSLineSearch: 5 16:32:18 -80.201889 0.004616 LBFGSLineSearch: 6 16:32:21 -80.201893 0.003096 LBFGSLineSearch: 7 16:32:24 -80.201895 0.003100 LBFGSLineSearch: 8 16:32:28 -80.201897 0.002809 LBFGSLineSearch: 9 16:32:31 -80.201899 0.001710 LBFGSLineSearch: 10 16:32:35 -80.201899 0.001570 LBFGSLineSearch: 11 16:32:40 -80.201899 0.001430 LBFGSLineSearch: 12 16:32:44 -80.201900 0.001235 LBFGSLineSearch: 13 16:32:47 -80.201900 0.000858 LBFGSLineSearch: 14 16:32:51 -80.201901 0.000822 LBFGSLineSearch: 15 16:32:58 -80.201901 0.000589 LBFGSLineSearch: 16 16:33:02 -80.201901 0.000354 LBFGSLineSearch: 17 16:33:06 -80.201901 0.000100 LBFGSLineSearch: 18 16:33:09 -80.201901 0.000133 LBFGSLineSearch: 19 16:33:12 -80.201901 0.000097 LBFGSLineSearch: 20 16:33:16 -80.201901 0.000078 LBFGSLineSearch: 21 16:33:20 -80.201901 0.000064 LBFGSLineSearch: 22 16:33:24 -80.201901 0.000073 LBFGSLineSearch: 23 16:33:28 -80.201901 0.000084 LBFGSLineSearch: 24 16:33:31 -80.201901 0.000049 LBFGSLineSearch: 25 16:33:36 -80.201901 0.000017 LBFGSLineSearch: 26 16:33:39 -80.201901 0.000016 LBFGSLineSearch: 27 16:33:43 -80.201901 0.000013 LBFGSLineSearch: 28 16:33:47 -80.201901 0.000001 Minimization converged after 28 steps. Pressure: -9.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:33:55 -80.630660 0.030626 LBFGSLineSearch: 1 16:34:00 -80.631066 0.012184 LBFGSLineSearch: 2 16:34:04 -80.631116 0.007646 LBFGSLineSearch: 3 16:34:07 -80.631136 0.008791 LBFGSLineSearch: 4 16:34:11 -80.631154 0.006705 LBFGSLineSearch: 5 16:34:14 -80.631165 0.004642 LBFGSLineSearch: 6 16:34:17 -80.631169 0.003131 LBFGSLineSearch: 7 16:34:20 -80.631172 0.003115 LBFGSLineSearch: 8 16:34:23 -80.631174 0.002841 LBFGSLineSearch: 9 16:34:26 -80.631175 0.001748 LBFGSLineSearch: 10 16:34:29 -80.631175 0.001549 LBFGSLineSearch: 11 16:34:31 -80.631176 0.001413 LBFGSLineSearch: 12 16:34:34 -80.631176 0.001228 LBFGSLineSearch: 13 16:34:38 -80.631176 0.000862 LBFGSLineSearch: 14 16:34:42 -80.631177 0.000801 LBFGSLineSearch: 15 16:34:47 -80.631177 0.000589 LBFGSLineSearch: 16 16:34:50 -80.631177 0.000370 LBFGSLineSearch: 17 16:34:53 -80.631177 0.000104 LBFGSLineSearch: 18 16:34:57 -80.631177 0.000137 LBFGSLineSearch: 19 16:35:00 -80.631177 0.000096 LBFGSLineSearch: 20 16:35:05 -80.631177 0.000077 LBFGSLineSearch: 21 16:35:09 -80.631177 0.000065 LBFGSLineSearch: 22 16:35:12 -80.631177 0.000033 LBFGSLineSearch: 23 16:35:16 -80.631177 0.000023 LBFGSLineSearch: 24 16:35:21 -80.631177 0.000019 LBFGSLineSearch: 25 16:35:26 -80.631177 0.000019 LBFGSLineSearch: 26 16:35:30 -80.631177 0.000019 LBFGSLineSearch: 27 16:35:35 -80.631177 0.000000 Minimization converged after 27 steps. Pressure: -10.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:35:43 -81.060973 0.030700 LBFGSLineSearch: 1 16:35:47 -81.061385 0.012276 LBFGSLineSearch: 2 16:35:52 -81.061435 0.007686 LBFGSLineSearch: 3 16:35:54 -81.061456 0.008817 LBFGSLineSearch: 4 16:35:56 -81.061474 0.006746 LBFGSLineSearch: 5 16:36:00 -81.061485 0.004668 LBFGSLineSearch: 6 16:36:03 -81.061489 0.003168 LBFGSLineSearch: 7 16:36:06 -81.061492 0.003131 LBFGSLineSearch: 8 16:36:09 -81.061494 0.002874 LBFGSLineSearch: 9 16:36:11 -81.061495 0.001785 LBFGSLineSearch: 10 16:36:14 -81.061496 0.001530 LBFGSLineSearch: 11 16:36:17 -81.061496 0.001397 LBFGSLineSearch: 12 16:36:21 -81.061497 0.001220 LBFGSLineSearch: 13 16:36:25 -81.061497 0.000864 LBFGSLineSearch: 14 16:36:28 -81.061497 0.000784 LBFGSLineSearch: 15 16:36:33 -81.061498 0.000590 LBFGSLineSearch: 16 16:36:37 -81.061498 0.000386 LBFGSLineSearch: 17 16:36:40 -81.061498 0.000109 LBFGSLineSearch: 18 16:36:43 -81.061498 0.000145 LBFGSLineSearch: 19 16:36:44 -81.061498 0.000097 LBFGSLineSearch: 20 16:36:47 -81.061498 0.000115 LBFGSLineSearch: 21 16:36:50 -81.061498 0.000070 LBFGSLineSearch: 22 16:36:52 -81.061498 0.000067 LBFGSLineSearch: 23 16:36:57 -81.061498 0.000062 LBFGSLineSearch: 24 16:37:00 -81.061498 0.000062 LBFGSLineSearch: 25 16:37:03 -81.061498 0.000019 LBFGSLineSearch: 26 16:37:08 -81.061498 0.000023 LBFGSLineSearch: 27 16:37:12 -81.061498 0.000027 LBFGSLineSearch: 28 16:37:16 -81.061498 0.000011 LBFGSLineSearch: 29 16:37:19 -81.061498 0.000000 Minimization converged after 29 steps. Pressure: -10.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:37:28 -81.492346 0.030775 LBFGSLineSearch: 1 16:37:33 -81.492763 0.012369 LBFGSLineSearch: 2 16:37:37 -81.492814 0.007729 LBFGSLineSearch: 3 16:37:39 -81.492835 0.008846 LBFGSLineSearch: 4 16:37:43 -81.492853 0.006790 LBFGSLineSearch: 5 16:37:46 -81.492865 0.004697 LBFGSLineSearch: 6 16:37:48 -81.492869 0.003208 LBFGSLineSearch: 7 16:37:51 -81.492872 0.003147 LBFGSLineSearch: 8 16:37:53 -81.492874 0.002909 LBFGSLineSearch: 9 16:37:56 -81.492875 0.001824 LBFGSLineSearch: 10 16:37:59 -81.492876 0.001512 LBFGSLineSearch: 11 16:38:02 -81.492876 0.001382 LBFGSLineSearch: 12 16:38:06 -81.492877 0.001212 LBFGSLineSearch: 13 16:38:09 -81.492877 0.000865 LBFGSLineSearch: 14 16:38:11 -81.492877 0.000769 LBFGSLineSearch: 15 16:38:15 -81.492878 0.000592 LBFGSLineSearch: 16 16:38:19 -81.492878 0.000403 LBFGSLineSearch: 17 16:38:23 -81.492878 0.000115 LBFGSLineSearch: 18 16:38:26 -81.492878 0.000148 LBFGSLineSearch: 19 16:38:29 -81.492878 0.000097 LBFGSLineSearch: 20 16:38:31 -81.492878 0.000097 LBFGSLineSearch: 21 16:38:34 -81.492878 0.000078 LBFGSLineSearch: 22 16:38:38 -81.492878 0.000063 LBFGSLineSearch: 23 16:38:40 -81.492878 0.000057 LBFGSLineSearch: 24 16:38:42 -81.492878 0.000099 LBFGSLineSearch: 25 16:38:45 -81.492878 0.000036 LBFGSLineSearch: 26 16:38:49 -81.492878 0.000025 LBFGSLineSearch: 27 16:38:51 -81.492878 0.000025 LBFGSLineSearch: 28 16:38:55 -81.492878 0.000018 LBFGSLineSearch: 29 16:38:59 -81.492878 0.000006 Minimization converged after 29 steps. Pressure: -11.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:39:07 -81.924793 0.030854 LBFGSLineSearch: 1 16:39:11 -81.925216 0.012467 LBFGSLineSearch: 2 16:39:14 -81.925269 0.007774 LBFGSLineSearch: 3 16:39:17 -81.925290 0.008879 LBFGSLineSearch: 4 16:39:19 -81.925308 0.006832 LBFGSLineSearch: 5 16:39:20 -81.925320 0.004727 LBFGSLineSearch: 6 16:39:22 -81.925325 0.003252 LBFGSLineSearch: 7 16:39:25 -81.925327 0.003165 LBFGSLineSearch: 8 16:39:27 -81.925329 0.002944 LBFGSLineSearch: 9 16:39:30 -81.925331 0.001864 LBFGSLineSearch: 10 16:39:32 -81.925331 0.001496 LBFGSLineSearch: 11 16:39:36 -81.925332 0.001368 LBFGSLineSearch: 12 16:39:40 -81.925332 0.001205 LBFGSLineSearch: 13 16:39:43 -81.925333 0.000865 LBFGSLineSearch: 14 16:39:46 -81.925333 0.000756 LBFGSLineSearch: 15 16:39:51 -81.925333 0.000595 LBFGSLineSearch: 16 16:39:56 -81.925333 0.000420 LBFGSLineSearch: 17 16:40:00 -81.925333 0.000120 LBFGSLineSearch: 18 16:40:04 -81.925333 0.000154 LBFGSLineSearch: 19 16:40:07 -81.925333 0.000100 LBFGSLineSearch: 20 16:40:10 -81.925333 0.000109 LBFGSLineSearch: 21 16:40:12 -81.925333 0.000073 LBFGSLineSearch: 22 16:40:13 -81.925333 0.000071 LBFGSLineSearch: 23 16:40:14 -81.925333 0.000065 LBFGSLineSearch: 24 16:40:16 -81.925333 0.000063 LBFGSLineSearch: 25 16:40:19 -81.925333 0.000071 LBFGSLineSearch: 26 16:40:22 -81.925334 0.000076 LBFGSLineSearch: 27 16:40:25 -81.925334 0.000028 LBFGSLineSearch: 28 16:40:28 -81.925334 0.000027 LBFGSLineSearch: 29 16:40:32 -81.925334 0.000026 LBFGSLineSearch: 30 16:40:35 -81.925334 0.000006 Minimization converged after 30 steps. Pressure: -11.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:40:42 -82.358332 0.030931 LBFGSLineSearch: 1 16:40:45 -82.358761 0.012562 LBFGSLineSearch: 2 16:40:49 -82.358815 0.007820 LBFGSLineSearch: 3 16:40:52 -82.358837 0.008915 LBFGSLineSearch: 4 16:40:55 -82.358855 0.006884 LBFGSLineSearch: 5 16:40:59 -82.358867 0.004760 LBFGSLineSearch: 6 16:41:01 -82.358872 0.003296 LBFGSLineSearch: 7 16:41:03 -82.358874 0.003184 LBFGSLineSearch: 8 16:41:06 -82.358877 0.002981 LBFGSLineSearch: 9 16:41:08 -82.358878 0.001906 LBFGSLineSearch: 10 16:41:10 -82.358879 0.001481 LBFGSLineSearch: 11 16:41:14 -82.358879 0.001354 LBFGSLineSearch: 12 16:41:18 -82.358879 0.001199 LBFGSLineSearch: 13 16:41:22 -82.358880 0.000864 LBFGSLineSearch: 14 16:41:25 -82.358880 0.000746 LBFGSLineSearch: 15 16:41:30 -82.358881 0.000600 LBFGSLineSearch: 16 16:41:34 -82.358881 0.000437 LBFGSLineSearch: 17 16:41:35 -82.358881 0.000126 LBFGSLineSearch: 18 16:41:38 -82.358881 0.000158 LBFGSLineSearch: 19 16:41:41 -82.358881 0.000102 LBFGSLineSearch: 20 16:41:42 -82.358881 0.000113 LBFGSLineSearch: 21 16:41:44 -82.358881 0.000091 LBFGSLineSearch: 22 16:41:46 -82.358881 0.000077 LBFGSLineSearch: 23 16:41:49 -82.358881 0.000066 LBFGSLineSearch: 24 16:41:53 -82.358881 0.000064 LBFGSLineSearch: 25 16:41:55 -82.358881 0.000073 LBFGSLineSearch: 26 16:41:58 -82.358881 0.000096 LBFGSLineSearch: 27 16:42:01 -82.358881 0.000049 LBFGSLineSearch: 28 16:42:06 -82.358881 0.000029 LBFGSLineSearch: 29 16:42:10 -82.358881 0.000029 LBFGSLineSearch: 30 16:42:11 -82.358881 0.000019 LBFGSLineSearch: 31 16:42:14 -82.358881 0.000023 LBFGSLineSearch: 32 16:42:18 -82.358881 0.000003 Minimization converged after 32 steps. Pressure: -12.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:42:25 -82.792980 0.031008 LBFGSLineSearch: 1 16:42:30 -82.793415 0.012566 LBFGSLineSearch: 2 16:42:35 -82.793470 0.008162 LBFGSLineSearch: 3 16:42:38 -82.793492 0.008964 LBFGSLineSearch: 4 16:42:41 -82.793510 0.006953 LBFGSLineSearch: 5 16:42:44 -82.793523 0.004847 LBFGSLineSearch: 6 16:42:47 -82.793528 0.003363 LBFGSLineSearch: 7 16:42:51 -82.793530 0.003196 LBFGSLineSearch: 8 16:42:53 -82.793533 0.003020 LBFGSLineSearch: 9 16:42:56 -82.793534 0.001957 LBFGSLineSearch: 10 16:42:59 -82.793535 0.001441 LBFGSLineSearch: 11 16:43:02 -82.793535 0.001409 LBFGSLineSearch: 12 16:43:05 -82.793536 0.001201 LBFGSLineSearch: 13 16:43:08 -82.793536 0.000824 LBFGSLineSearch: 14 16:43:12 -82.793536 0.000737 LBFGSLineSearch: 15 16:43:17 -82.793537 0.000603 LBFGSLineSearch: 16 16:43:22 -82.793537 0.000458 LBFGSLineSearch: 17 16:43:26 -82.793537 0.000129 LBFGSLineSearch: 18 16:43:28 -82.793537 0.000115 LBFGSLineSearch: 19 16:43:30 -82.793537 0.000103 LBFGSLineSearch: 20 16:43:33 -82.793537 0.000115 LBFGSLineSearch: 21 16:43:36 -82.793537 0.000079 LBFGSLineSearch: 22 16:43:37 -82.793537 0.000076 LBFGSLineSearch: 23 16:43:39 -82.793537 0.000066 LBFGSLineSearch: 24 16:43:42 -82.793537 0.000062 LBFGSLineSearch: 25 16:43:45 -82.793537 0.000064 LBFGSLineSearch: 26 16:43:49 -82.793537 0.000072 LBFGSLineSearch: 27 16:43:51 -82.793537 0.000031 LBFGSLineSearch: 28 16:43:55 -82.793537 0.000030 LBFGSLineSearch: 29 16:43:58 -82.793537 0.000034 LBFGSLineSearch: 30 16:44:02 -82.793537 0.000036 LBFGSLineSearch: 31 16:44:06 -82.793537 0.000002 Minimization converged after 31 steps. Pressure: -12.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:44:13 -83.228754 0.031087 LBFGSLineSearch: 1 16:44:18 -83.229195 0.012549 LBFGSLineSearch: 2 16:44:22 -83.229250 0.008584 LBFGSLineSearch: 3 16:44:26 -83.229274 0.008984 LBFGSLineSearch: 4 16:44:29 -83.229292 0.006976 LBFGSLineSearch: 5 16:44:32 -83.229305 0.005006 LBFGSLineSearch: 6 16:44:35 -83.229310 0.003450 LBFGSLineSearch: 7 16:44:37 -83.229313 0.003177 LBFGSLineSearch: 8 16:44:40 -83.229316 0.003056 LBFGSLineSearch: 9 16:44:43 -83.229317 0.002043 LBFGSLineSearch: 10 16:44:47 -83.229318 0.001381 LBFGSLineSearch: 11 16:44:50 -83.229318 0.001436 LBFGSLineSearch: 12 16:44:55 -83.229318 0.001442 LBFGSLineSearch: 13 16:44:58 -83.229319 0.001041 LBFGSLineSearch: 14 16:45:02 -83.229319 0.000679 LBFGSLineSearch: 15 16:45:06 -83.229319 0.000948 LBFGSLineSearch: 16 16:45:10 -83.229320 0.000568 LBFGSLineSearch: 17 16:45:14 -83.229320 0.000526 LBFGSLineSearch: 18 16:45:17 -83.229320 0.000472 LBFGSLineSearch: 19 16:45:21 -83.229320 0.000282 LBFGSLineSearch: 20 16:45:25 -83.229320 0.000124 LBFGSLineSearch: 21 16:45:30 -83.229320 0.000112 LBFGSLineSearch: 22 16:45:33 -83.229320 0.000116 LBFGSLineSearch: 23 16:45:35 -83.229320 0.000095 LBFGSLineSearch: 24 16:45:38 -83.229320 0.000078 LBFGSLineSearch: 25 16:45:41 -83.229320 0.000066 LBFGSLineSearch: 26 16:45:44 -83.229320 0.000093 LBFGSLineSearch: 27 16:45:46 -83.229320 0.000057 LBFGSLineSearch: 28 16:45:49 -83.229320 0.000064 LBFGSLineSearch: 29 16:45:51 -83.229320 0.000064 LBFGSLineSearch: 30 16:45:54 -83.229320 0.000035 LBFGSLineSearch: 31 16:45:59 -83.229320 0.000029 LBFGSLineSearch: 32 16:46:02 -83.229320 0.000048 LBFGSLineSearch: 33 16:46:06 -83.229320 0.000031 LBFGSLineSearch: 34 16:46:11 -83.229320 0.000036 LBFGSLineSearch: 35 16:46:15 -83.229320 0.000000 Minimization converged after 35 steps. Pressure: -13.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:46:23 -83.665673 0.031168 LBFGSLineSearch: 1 16:46:27 -83.666121 0.012529 LBFGSLineSearch: 2 16:46:31 -83.666174 0.009038 LBFGSLineSearch: 3 16:46:36 -83.666206 0.010356 LBFGSLineSearch: 4 16:46:40 -83.666234 0.003902 LBFGSLineSearch: 5 16:46:44 -83.666239 0.003195 LBFGSLineSearch: 6 16:46:50 -83.666245 0.002304 LBFGSLineSearch: 7 16:46:55 -83.666247 0.001463 LBFGSLineSearch: 8 16:46:57 -83.666247 0.001527 LBFGSLineSearch: 9 16:47:00 -83.666248 0.000907 LBFGSLineSearch: 10 16:47:03 -83.666248 0.000697 LBFGSLineSearch: 11 16:47:07 -83.666249 0.000414 LBFGSLineSearch: 12 16:47:09 -83.666249 0.000205 LBFGSLineSearch: 13 16:47:12 -83.666249 0.000168 LBFGSLineSearch: 14 16:47:17 -83.666249 0.000173 LBFGSLineSearch: 15 16:47:20 -83.666249 0.000138 LBFGSLineSearch: 16 16:47:23 -83.666249 0.000128 LBFGSLineSearch: 17 16:47:26 -83.666249 0.000092 LBFGSLineSearch: 18 16:47:27 -83.666249 0.000099 LBFGSLineSearch: 19 16:47:28 -83.666249 0.000079 LBFGSLineSearch: 20 16:47:31 -83.666249 0.000061 LBFGSLineSearch: 21 16:47:35 -83.666249 0.000032 LBFGSLineSearch: 22 16:47:40 -83.666249 0.000027 LBFGSLineSearch: 23 16:47:43 -83.666249 0.000029 LBFGSLineSearch: 24 16:47:46 -83.666249 0.000009 Minimization converged after 24 steps. Pressure: -13.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:47:53 -84.103757 0.031253 LBFGSLineSearch: 1 16:47:58 -84.104211 0.012507 LBFGSLineSearch: 2 16:48:03 -84.104262 0.009518 LBFGSLineSearch: 3 16:48:07 -84.104300 0.009978 LBFGSLineSearch: 4 16:48:11 -84.104327 0.003992 LBFGSLineSearch: 5 16:48:15 -84.104332 0.003293 LBFGSLineSearch: 6 16:48:19 -84.104339 0.002342 LBFGSLineSearch: 7 16:48:22 -84.104340 0.001463 LBFGSLineSearch: 8 16:48:26 -84.104341 0.001550 LBFGSLineSearch: 9 16:48:31 -84.104341 0.000896 LBFGSLineSearch: 10 16:48:35 -84.104342 0.000694 LBFGSLineSearch: 11 16:48:41 -84.104342 0.000384 LBFGSLineSearch: 12 16:48:43 -84.104342 0.000209 LBFGSLineSearch: 13 16:48:47 -84.104343 0.000202 LBFGSLineSearch: 14 16:48:49 -84.104343 0.000170 LBFGSLineSearch: 15 16:48:52 -84.104343 0.000136 LBFGSLineSearch: 16 16:48:55 -84.104343 0.000111 LBFGSLineSearch: 17 16:48:58 -84.104343 0.000087 LBFGSLineSearch: 18 16:49:01 -84.104343 0.000111 LBFGSLineSearch: 19 16:49:05 -84.104343 0.000083 LBFGSLineSearch: 20 16:49:07 -84.104343 0.000074 LBFGSLineSearch: 21 16:49:12 -84.104343 0.000050 LBFGSLineSearch: 22 16:49:15 -84.104343 0.000030 LBFGSLineSearch: 23 16:49:18 -84.104343 0.000031 LBFGSLineSearch: 24 16:49:22 -84.104343 0.000025 LBFGSLineSearch: 25 16:49:25 -84.104343 0.000027 LBFGSLineSearch: 26 16:49:28 -84.104343 0.000008 Minimization converged after 26 steps. Pressure: -14.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:49:35 -84.543026 0.031337 LBFGSLineSearch: 1 16:49:38 -84.543487 0.012492 LBFGSLineSearch: 2 16:49:41 -84.543534 0.010059 LBFGSLineSearch: 3 16:49:43 -84.543578 0.009381 LBFGSLineSearch: 4 16:49:45 -84.543608 0.004223 LBFGSLineSearch: 5 16:49:48 -84.543616 0.001966 LBFGSLineSearch: 6 16:49:51 -84.543618 0.002308 LBFGSLineSearch: 7 16:49:54 -84.543619 0.001435 LBFGSLineSearch: 8 16:49:59 -84.543620 0.001393 LBFGSLineSearch: 9 16:50:03 -84.543621 0.000877 LBFGSLineSearch: 10 16:50:09 -84.543621 0.000730 LBFGSLineSearch: 11 16:50:11 -84.543621 0.000642 LBFGSLineSearch: 12 16:50:14 -84.543622 0.000353 LBFGSLineSearch: 13 16:50:17 -84.543622 0.000178 LBFGSLineSearch: 14 16:50:20 -84.543622 0.000172 LBFGSLineSearch: 15 16:50:24 -84.543622 0.000169 LBFGSLineSearch: 16 16:50:27 -84.543622 0.000159 LBFGSLineSearch: 17 16:50:29 -84.543622 0.000137 LBFGSLineSearch: 18 16:50:30 -84.543622 0.000100 LBFGSLineSearch: 19 16:50:33 -84.543622 0.000085 LBFGSLineSearch: 20 16:50:36 -84.543622 0.000087 LBFGSLineSearch: 21 16:50:38 -84.543622 0.000072 LBFGSLineSearch: 22 16:50:41 -84.543622 0.000072 LBFGSLineSearch: 23 16:50:46 -84.543622 0.000059 LBFGSLineSearch: 24 16:50:50 -84.543622 0.000036 LBFGSLineSearch: 25 16:50:55 -84.543622 0.000027 LBFGSLineSearch: 26 16:50:58 -84.543622 0.000023 LBFGSLineSearch: 27 16:51:01 -84.543622 0.000024 LBFGSLineSearch: 28 16:51:04 -84.543622 0.000010 LBFGSLineSearch: 29 16:51:07 -84.543622 0.000000 Minimization converged after 29 steps. Pressure: -14.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:51:15 -84.983501 0.031420 LBFGSLineSearch: 1 16:51:21 -84.983969 0.012473 LBFGSLineSearch: 2 16:51:26 -84.984013 0.010665 LBFGSLineSearch: 3 16:51:30 -84.984063 0.009593 LBFGSLineSearch: 4 16:51:34 -84.984093 0.004298 LBFGSLineSearch: 5 16:51:37 -84.984102 0.001972 LBFGSLineSearch: 6 16:51:39 -84.984104 0.002349 LBFGSLineSearch: 7 16:51:43 -84.984105 0.001409 LBFGSLineSearch: 8 16:51:47 -84.984106 0.001394 LBFGSLineSearch: 9 16:51:52 -84.984106 0.000891 LBFGSLineSearch: 10 16:51:57 -84.984107 0.000738 LBFGSLineSearch: 11 16:52:00 -84.984107 0.000669 LBFGSLineSearch: 12 16:52:00 -84.984108 0.000400 LBFGSLineSearch: 13 16:52:02 -84.984108 0.000180 LBFGSLineSearch: 14 16:52:04 -84.984108 0.000174 LBFGSLineSearch: 15 16:52:06 -84.984108 0.000176 LBFGSLineSearch: 16 16:52:07 -84.984108 0.000165 LBFGSLineSearch: 17 16:52:09 -84.984108 0.000143 LBFGSLineSearch: 18 16:52:12 -84.984108 0.000108 LBFGSLineSearch: 19 16:52:15 -84.984108 0.000086 LBFGSLineSearch: 20 16:52:17 -84.984108 0.000092 LBFGSLineSearch: 21 16:52:21 -84.984108 0.000081 LBFGSLineSearch: 22 16:52:23 -84.984108 0.000069 LBFGSLineSearch: 23 16:52:25 -84.984108 0.000073 LBFGSLineSearch: 24 16:52:28 -84.984108 0.000033 LBFGSLineSearch: 25 16:52:29 -84.984108 0.000023 LBFGSLineSearch: 26 16:52:33 -84.984108 0.000023 LBFGSLineSearch: 27 16:52:36 -84.984108 0.000018 LBFGSLineSearch: 28 16:52:39 -84.984108 0.000019 LBFGSLineSearch: 29 16:52:41 -84.984108 0.000005 Minimization converged after 29 steps. Pressure: -15.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:52:50 -85.425204 0.031510 LBFGSLineSearch: 1 16:52:51 -85.425680 0.012453 LBFGSLineSearch: 2 16:52:53 -85.425721 0.011212 LBFGSLineSearch: 3 16:52:57 -85.425776 0.009749 LBFGSLineSearch: 4 16:53:00 -85.425808 0.004383 LBFGSLineSearch: 5 16:53:04 -85.425817 0.001975 LBFGSLineSearch: 6 16:53:07 -85.425819 0.002388 LBFGSLineSearch: 7 16:53:10 -85.425820 0.001462 LBFGSLineSearch: 8 16:53:13 -85.425821 0.001402 LBFGSLineSearch: 9 16:53:17 -85.425821 0.000923 LBFGSLineSearch: 10 16:53:21 -85.425822 0.000766 LBFGSLineSearch: 11 16:53:24 -85.425822 0.000674 LBFGSLineSearch: 12 16:53:26 -85.425823 0.000422 LBFGSLineSearch: 13 16:53:29 -85.425823 0.000180 LBFGSLineSearch: 14 16:53:32 -85.425823 0.000181 LBFGSLineSearch: 15 16:53:35 -85.425823 0.000185 LBFGSLineSearch: 16 16:53:37 -85.425823 0.000164 LBFGSLineSearch: 17 16:53:40 -85.425823 0.000139 LBFGSLineSearch: 18 16:53:42 -85.425823 0.000110 LBFGSLineSearch: 19 16:53:45 -85.425823 0.000090 LBFGSLineSearch: 20 16:53:49 -85.425823 0.000094 LBFGSLineSearch: 21 16:53:51 -85.425823 0.000073 LBFGSLineSearch: 22 16:53:54 -85.425823 0.000069 LBFGSLineSearch: 23 16:53:58 -85.425823 0.000060 LBFGSLineSearch: 24 16:54:03 -85.425823 0.000026 LBFGSLineSearch: 25 16:54:06 -85.425823 0.000024 LBFGSLineSearch: 26 16:54:08 -85.425823 0.000016 LBFGSLineSearch: 27 16:54:10 -85.425823 0.000010 LBFGSLineSearch: 28 16:54:13 -85.425823 0.000001 Minimization converged after 28 steps. Pressure: -15.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:54:20 -85.868160 0.031596 LBFGSLineSearch: 1 16:54:24 -85.868643 0.012434 LBFGSLineSearch: 2 16:54:28 -85.868682 0.011691 LBFGSLineSearch: 3 16:54:31 -85.868743 0.009881 LBFGSLineSearch: 4 16:54:33 -85.868775 0.004475 LBFGSLineSearch: 5 16:54:36 -85.868784 0.002015 LBFGSLineSearch: 6 16:54:38 -85.868786 0.002430 LBFGSLineSearch: 7 16:54:39 -85.868787 0.001550 LBFGSLineSearch: 8 16:54:40 -85.868788 0.001458 LBFGSLineSearch: 9 16:54:42 -85.868789 0.000956 LBFGSLineSearch: 10 16:54:46 -85.868790 0.000800 LBFGSLineSearch: 11 16:54:50 -85.868790 0.000629 LBFGSLineSearch: 12 16:54:53 -85.868790 0.000404 LBFGSLineSearch: 13 16:54:57 -85.868791 0.000188 LBFGSLineSearch: 14 16:54:58 -85.868791 0.000189 LBFGSLineSearch: 15 16:55:00 -85.868791 0.000182 LBFGSLineSearch: 16 16:55:00 -85.868791 0.000168 LBFGSLineSearch: 17 16:55:01 -85.868791 0.000149 LBFGSLineSearch: 18 16:55:01 -85.868791 0.000122 LBFGSLineSearch: 19 16:55:01 -85.868791 0.000096 LBFGSLineSearch: 20 16:55:03 -85.868791 0.000090 LBFGSLineSearch: 21 16:55:05 -85.868791 0.000078 LBFGSLineSearch: 22 16:55:08 -85.868791 0.000059 LBFGSLineSearch: 23 16:55:11 -85.868791 0.000060 LBFGSLineSearch: 24 16:55:14 -85.868791 0.000020 LBFGSLineSearch: 25 16:55:17 -85.868791 0.000026 LBFGSLineSearch: 26 16:55:20 -85.868791 0.000010 LBFGSLineSearch: 27 16:55:24 -85.868791 0.000006 Minimization converged after 27 steps. Pressure: -16.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:55:32 -86.312393 0.031687 LBFGSLineSearch: 1 16:55:37 -86.312882 0.012416 LBFGSLineSearch: 2 16:55:41 -86.312921 0.012099 LBFGSLineSearch: 3 16:55:44 -86.312986 0.010007 LBFGSLineSearch: 4 16:55:48 -86.313019 0.004575 LBFGSLineSearch: 5 16:55:51 -86.313029 0.002089 LBFGSLineSearch: 6 16:55:53 -86.313031 0.002473 LBFGSLineSearch: 7 16:55:57 -86.313032 0.001643 LBFGSLineSearch: 8 16:56:01 -86.313033 0.001518 LBFGSLineSearch: 9 16:56:07 -86.313034 0.000988 LBFGSLineSearch: 10 16:56:11 -86.313035 0.000847 LBFGSLineSearch: 11 16:56:14 -86.313035 0.000723 LBFGSLineSearch: 12 16:56:17 -86.313036 0.000472 LBFGSLineSearch: 13 16:56:21 -86.313036 0.000214 LBFGSLineSearch: 14 16:56:25 -86.313036 0.000191 LBFGSLineSearch: 15 16:56:29 -86.313036 0.000221 LBFGSLineSearch: 16 16:56:33 -86.313036 0.000167 LBFGSLineSearch: 17 16:56:36 -86.313036 0.000163 LBFGSLineSearch: 18 16:56:38 -86.313036 0.000140 LBFGSLineSearch: 19 16:56:40 -86.313036 0.000105 LBFGSLineSearch: 20 16:56:44 -86.313036 0.000094 LBFGSLineSearch: 21 16:56:45 -86.313036 0.000074 LBFGSLineSearch: 22 16:56:48 -86.313036 0.000068 LBFGSLineSearch: 23 16:56:50 -86.313036 0.000040 LBFGSLineSearch: 24 16:56:53 -86.313036 0.000021 LBFGSLineSearch: 25 16:56:56 -86.313036 0.000026 LBFGSLineSearch: 26 16:57:00 -86.313036 0.000004 Minimization converged after 26 steps. Pressure: -16.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:57:10 -86.757928 0.031778 LBFGSLineSearch: 1 16:57:16 -86.758425 0.012392 LBFGSLineSearch: 2 16:57:20 -86.758463 0.012452 LBFGSLineSearch: 3 16:57:25 -86.758533 0.010110 LBFGSLineSearch: 4 16:57:29 -86.758567 0.004684 LBFGSLineSearch: 5 16:57:33 -86.758577 0.002170 LBFGSLineSearch: 6 16:57:36 -86.758579 0.002515 LBFGSLineSearch: 7 16:57:40 -86.758581 0.001739 LBFGSLineSearch: 8 16:57:44 -86.758582 0.001583 LBFGSLineSearch: 9 16:57:49 -86.758583 0.001021 LBFGSLineSearch: 10 16:57:54 -86.758584 0.000944 LBFGSLineSearch: 11 16:57:57 -86.758584 0.001127 LBFGSLineSearch: 12 16:58:01 -86.758584 0.000281 LBFGSLineSearch: 13 16:58:04 -86.758584 0.000220 LBFGSLineSearch: 14 16:58:07 -86.758584 0.000182 LBFGSLineSearch: 15 16:58:11 -86.758584 0.000198 LBFGSLineSearch: 16 16:58:14 -86.758585 0.000188 LBFGSLineSearch: 17 16:58:18 -86.758585 0.000113 LBFGSLineSearch: 18 16:58:22 -86.758585 0.000087 LBFGSLineSearch: 19 16:58:25 -86.758585 0.000063 LBFGSLineSearch: 20 16:58:30 -86.758585 0.000040 LBFGSLineSearch: 21 16:58:34 -86.758585 0.000036 LBFGSLineSearch: 22 16:58:39 -86.758585 0.000004 Minimization converged after 22 steps. Pressure: -17.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 16:58:48 -87.204794 0.031873 LBFGSLineSearch: 1 16:58:53 -87.205299 0.012373 LBFGSLineSearch: 2 16:58:55 -87.205336 0.012758 LBFGSLineSearch: 3 16:58:58 -87.205411 0.010238 LBFGSLineSearch: 4 16:59:02 -87.205446 0.004798 LBFGSLineSearch: 5 16:59:05 -87.205456 0.002253 LBFGSLineSearch: 6 16:59:09 -87.205459 0.002564 LBFGSLineSearch: 7 16:59:12 -87.205460 0.001838 LBFGSLineSearch: 8 16:59:16 -87.205461 0.001652 LBFGSLineSearch: 9 16:59:20 -87.205462 0.001051 LBFGSLineSearch: 10 16:59:26 -87.205463 0.001055 LBFGSLineSearch: 11 16:59:30 -87.205463 0.001197 LBFGSLineSearch: 12 16:59:34 -87.205464 0.000310 LBFGSLineSearch: 13 16:59:38 -87.205464 0.000237 LBFGSLineSearch: 14 16:59:42 -87.205464 0.000240 LBFGSLineSearch: 15 16:59:46 -87.205464 0.000195 LBFGSLineSearch: 16 16:59:51 -87.205464 0.000123 LBFGSLineSearch: 17 16:59:53 -87.205464 0.000104 LBFGSLineSearch: 18 16:59:57 -87.205464 0.000068 LBFGSLineSearch: 19 17:00:01 -87.205464 0.000073 LBFGSLineSearch: 20 17:00:06 -87.205464 0.000050 LBFGSLineSearch: 21 17:00:10 -87.205464 0.000039 LBFGSLineSearch: 22 17:00:15 -87.205464 0.000037 LBFGSLineSearch: 23 17:00:18 -87.205464 0.000016 LBFGSLineSearch: 24 17:00:23 -87.205464 0.000017 LBFGSLineSearch: 25 17:00:26 -87.205464 0.000005 Minimization converged after 25 steps. Pressure: -17.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:00:34 -87.653019 0.031970 LBFGSLineSearch: 1 17:00:39 -87.653531 0.012352 LBFGSLineSearch: 2 17:00:45 -87.653569 0.013034 LBFGSLineSearch: 3 17:00:50 -87.653649 0.010275 LBFGSLineSearch: 4 17:00:55 -87.653684 0.004941 LBFGSLineSearch: 5 17:01:00 -87.653694 0.002874 LBFGSLineSearch: 6 17:01:03 -87.653698 0.002659 LBFGSLineSearch: 7 17:01:07 -87.653699 0.002122 LBFGSLineSearch: 8 17:01:11 -87.653700 0.001796 LBFGSLineSearch: 9 17:01:15 -87.653701 0.001661 LBFGSLineSearch: 10 17:01:18 -87.653701 0.001597 LBFGSLineSearch: 11 17:01:23 -87.653701 0.001634 LBFGSLineSearch: 12 17:01:27 -87.653702 0.001063 LBFGSLineSearch: 13 17:01:32 -87.653703 0.000823 LBFGSLineSearch: 14 17:01:37 -87.653703 0.000718 LBFGSLineSearch: 15 17:01:42 -87.653704 0.001105 LBFGSLineSearch: 16 17:01:45 -87.653704 0.000240 LBFGSLineSearch: 17 17:01:50 -87.653704 0.000186 LBFGSLineSearch: 18 17:01:56 -87.653704 0.000142 LBFGSLineSearch: 19 17:01:59 -87.653704 0.000123 LBFGSLineSearch: 20 17:02:03 -87.653704 0.000104 LBFGSLineSearch: 21 17:02:06 -87.653704 0.000100 LBFGSLineSearch: 22 17:02:12 -87.653704 0.000072 LBFGSLineSearch: 23 17:02:17 -87.653704 0.000076 LBFGSLineSearch: 24 17:02:22 -87.653704 0.000064 LBFGSLineSearch: 25 17:02:27 -87.653704 0.000032 LBFGSLineSearch: 26 17:02:31 -87.653704 0.000029 LBFGSLineSearch: 27 17:02:34 -87.653704 0.000023 LBFGSLineSearch: 28 17:02:37 -87.653704 0.000008 Minimization converged after 28 steps. Pressure: -18.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:02:48 -88.102634 0.032070 LBFGSLineSearch: 1 17:02:53 -88.103154 0.012325 LBFGSLineSearch: 2 17:02:58 -88.103193 0.013281 LBFGSLineSearch: 3 17:03:04 -88.103277 0.009828 LBFGSLineSearch: 4 17:03:06 -88.103308 0.006596 LBFGSLineSearch: 5 17:03:07 -88.103316 0.004556 LBFGSLineSearch: 6 17:03:07 -88.103320 0.003907 LBFGSLineSearch: 7 17:03:09 -88.103326 0.004017 LBFGSLineSearch: 8 17:03:14 -88.103330 0.001970 LBFGSLineSearch: 9 17:03:18 -88.103331 0.001779 LBFGSLineSearch: 10 17:03:23 -88.103332 0.001801 LBFGSLineSearch: 11 17:03:28 -88.103333 0.001095 LBFGSLineSearch: 12 17:03:33 -88.103333 0.001386 LBFGSLineSearch: 13 17:03:38 -88.103334 0.001058 LBFGSLineSearch: 14 17:03:44 -88.103335 0.000293 LBFGSLineSearch: 15 17:03:47 -88.103335 0.000267 LBFGSLineSearch: 16 17:03:52 -88.103335 0.000271 LBFGSLineSearch: 17 17:03:56 -88.103335 0.000194 LBFGSLineSearch: 18 17:04:00 -88.103335 0.000142 LBFGSLineSearch: 19 17:04:04 -88.103335 0.000089 LBFGSLineSearch: 20 17:04:07 -88.103335 0.000083 LBFGSLineSearch: 21 17:04:11 -88.103335 0.000084 LBFGSLineSearch: 22 17:04:15 -88.103335 0.000120 LBFGSLineSearch: 23 17:04:19 -88.103335 0.000053 LBFGSLineSearch: 24 17:04:22 -88.103335 0.000045 LBFGSLineSearch: 25 17:04:27 -88.103335 0.000046 LBFGSLineSearch: 26 17:04:33 -88.103335 0.000000 Minimization converged after 26 steps. Pressure: -18.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:04:42 -88.553672 0.032167 LBFGSLineSearch: 1 17:04:48 -88.554201 0.012311 LBFGSLineSearch: 2 17:04:53 -88.554241 0.013522 LBFGSLineSearch: 3 17:04:58 -88.554328 0.009488 LBFGSLineSearch: 4 17:05:03 -88.554355 0.008189 LBFGSLineSearch: 5 17:05:09 -88.554371 0.004750 LBFGSLineSearch: 6 17:05:15 -88.554381 0.002440 LBFGSLineSearch: 7 17:05:17 -88.554383 0.002223 LBFGSLineSearch: 8 17:05:22 -88.554385 0.001931 LBFGSLineSearch: 9 17:05:26 -88.554386 0.001822 LBFGSLineSearch: 10 17:05:33 -88.554387 0.001123 LBFGSLineSearch: 11 17:05:39 -88.554388 0.001093 LBFGSLineSearch: 12 17:05:43 -88.554389 0.000938 LBFGSLineSearch: 13 17:05:49 -88.554390 0.000307 LBFGSLineSearch: 14 17:05:54 -88.554390 0.000269 LBFGSLineSearch: 15 17:05:59 -88.554390 0.000275 LBFGSLineSearch: 16 17:06:03 -88.554390 0.000178 LBFGSLineSearch: 17 17:06:07 -88.554390 0.000115 LBFGSLineSearch: 18 17:06:10 -88.554390 0.000101 LBFGSLineSearch: 19 17:06:14 -88.554390 0.000116 LBFGSLineSearch: 20 17:06:18 -88.554390 0.000080 LBFGSLineSearch: 21 17:06:21 -88.554390 0.000068 LBFGSLineSearch: 22 17:06:26 -88.554390 0.000062 LBFGSLineSearch: 23 17:06:32 -88.554390 0.000000 Minimization converged after 23 steps. Pressure: -19.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:06:41 -89.006168 0.032270 LBFGSLineSearch: 1 17:06:47 -89.006705 0.012290 LBFGSLineSearch: 2 17:06:51 -89.006739 0.013075 LBFGSLineSearch: 3 17:06:56 -89.006790 0.010907 LBFGSLineSearch: 4 17:07:02 -89.006857 0.008260 LBFGSLineSearch: 5 17:07:05 -89.006883 0.004898 LBFGSLineSearch: 6 17:07:10 -89.006894 0.002619 LBFGSLineSearch: 7 17:07:14 -89.006897 0.002349 LBFGSLineSearch: 8 17:07:18 -89.006898 0.002013 LBFGSLineSearch: 9 17:07:23 -89.006899 0.001917 LBFGSLineSearch: 10 17:07:29 -89.006901 0.001158 LBFGSLineSearch: 11 17:07:34 -89.006902 0.001179 LBFGSLineSearch: 12 17:07:39 -89.006903 0.001044 LBFGSLineSearch: 13 17:07:45 -89.006904 0.000356 LBFGSLineSearch: 14 17:07:50 -89.006904 0.000295 LBFGSLineSearch: 15 17:07:55 -89.006904 0.000290 LBFGSLineSearch: 16 17:07:59 -89.006904 0.000202 LBFGSLineSearch: 17 17:08:03 -89.006904 0.000202 LBFGSLineSearch: 18 17:08:07 -89.006904 0.000307 LBFGSLineSearch: 19 17:08:12 -89.006904 0.000135 LBFGSLineSearch: 20 17:08:16 -89.006904 0.000108 LBFGSLineSearch: 21 17:08:19 -89.006904 0.000112 LBFGSLineSearch: 22 17:08:22 -89.006904 0.000097 LBFGSLineSearch: 23 17:08:27 -89.006904 0.000082 LBFGSLineSearch: 24 17:08:31 -89.006904 0.000077 LBFGSLineSearch: 25 17:08:37 -89.006904 0.000119 LBFGSLineSearch: 26 17:08:42 -89.006904 0.000000 Minimization converged after 26 steps. Pressure: -19.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:08:49 -89.460160 0.032375 LBFGSLineSearch: 1 17:08:54 -89.460705 0.012270 LBFGSLineSearch: 2 17:08:57 -89.460742 0.013240 LBFGSLineSearch: 3 17:09:01 -89.460794 0.011187 LBFGSLineSearch: 4 17:09:06 -89.460865 0.008420 LBFGSLineSearch: 5 17:09:11 -89.460892 0.005070 LBFGSLineSearch: 6 17:09:16 -89.460903 0.002740 LBFGSLineSearch: 7 17:09:19 -89.460907 0.002477 LBFGSLineSearch: 8 17:09:25 -89.460908 0.002132 LBFGSLineSearch: 9 17:09:29 -89.460910 0.002012 LBFGSLineSearch: 10 17:09:34 -89.460912 0.001191 LBFGSLineSearch: 11 17:09:39 -89.460913 0.001276 LBFGSLineSearch: 12 17:09:43 -89.460914 0.001195 LBFGSLineSearch: 13 17:09:47 -89.460915 0.000419 LBFGSLineSearch: 14 17:09:52 -89.460915 0.000391 LBFGSLineSearch: 15 17:09:55 -89.460915 0.000353 LBFGSLineSearch: 16 17:10:01 -89.460915 0.000292 LBFGSLineSearch: 17 17:10:06 -89.460915 0.000244 LBFGSLineSearch: 18 17:10:11 -89.460915 0.000164 LBFGSLineSearch: 19 17:10:13 -89.460915 0.000157 LBFGSLineSearch: 20 17:10:16 -89.460915 0.000187 LBFGSLineSearch: 21 17:10:20 -89.460915 0.000139 LBFGSLineSearch: 22 17:10:24 -89.460915 0.000062 LBFGSLineSearch: 23 17:10:28 -89.460915 0.000049 LBFGSLineSearch: 24 17:10:31 -89.460915 0.000037 LBFGSLineSearch: 25 17:10:35 -89.460915 0.000012 LBFGSLineSearch: 26 17:10:39 -89.460915 0.000001 Minimization converged after 26 steps. Pressure: -20.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:10:48 -89.915688 0.032484 LBFGSLineSearch: 1 17:10:53 -89.916242 0.012250 LBFGSLineSearch: 2 17:10:57 -89.916282 0.013414 LBFGSLineSearch: 3 17:11:00 -89.916336 0.011464 LBFGSLineSearch: 4 17:11:05 -89.916411 0.008590 LBFGSLineSearch: 5 17:11:09 -89.916439 0.005259 LBFGSLineSearch: 6 17:11:14 -89.916451 0.002872 LBFGSLineSearch: 7 17:11:18 -89.916454 0.002615 LBFGSLineSearch: 8 17:11:23 -89.916456 0.002260 LBFGSLineSearch: 9 17:11:28 -89.916458 0.002117 LBFGSLineSearch: 10 17:11:34 -89.916460 0.001223 LBFGSLineSearch: 11 17:11:40 -89.916462 0.001389 LBFGSLineSearch: 12 17:11:44 -89.916462 0.001341 LBFGSLineSearch: 13 17:11:48 -89.916464 0.000503 LBFGSLineSearch: 14 17:11:53 -89.916464 0.000467 LBFGSLineSearch: 15 17:11:57 -89.916464 0.000422 LBFGSLineSearch: 16 17:12:00 -89.916464 0.000382 LBFGSLineSearch: 17 17:12:04 -89.916464 0.000336 LBFGSLineSearch: 18 17:12:08 -89.916464 0.000320 LBFGSLineSearch: 19 17:12:12 -89.916464 0.000187 LBFGSLineSearch: 20 17:12:15 -89.916464 0.000173 LBFGSLineSearch: 21 17:12:19 -89.916464 0.000208 LBFGSLineSearch: 22 17:12:23 -89.916464 0.000170 LBFGSLineSearch: 23 17:12:27 -89.916464 0.000165 LBFGSLineSearch: 24 17:12:32 -89.916464 0.000150 LBFGSLineSearch: 25 17:12:38 -89.916464 0.000123 LBFGSLineSearch: 26 17:12:42 -89.916464 0.000015 LBFGSLineSearch: 27 17:12:45 -89.916464 0.000004 Minimization converged after 27 steps. Pressure: -20.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:12:54 -90.372797 0.032598 LBFGSLineSearch: 1 17:13:00 -90.373360 0.012230 LBFGSLineSearch: 2 17:13:04 -90.373404 0.013594 LBFGSLineSearch: 3 17:13:09 -90.373459 0.011738 LBFGSLineSearch: 4 17:13:13 -90.373538 0.008808 LBFGSLineSearch: 5 17:13:16 -90.373568 0.005467 LBFGSLineSearch: 6 17:13:22 -90.373580 0.003021 LBFGSLineSearch: 7 17:13:26 -90.373584 0.002769 LBFGSLineSearch: 8 17:13:31 -90.373586 0.002402 LBFGSLineSearch: 9 17:13:36 -90.373588 0.002233 LBFGSLineSearch: 10 17:13:42 -90.373591 0.001253 LBFGSLineSearch: 11 17:13:47 -90.373593 0.001528 LBFGSLineSearch: 12 17:13:50 -90.373593 0.001511 LBFGSLineSearch: 13 17:13:54 -90.373595 0.000586 LBFGSLineSearch: 14 17:13:59 -90.373595 0.000616 LBFGSLineSearch: 15 17:14:03 -90.373595 0.000502 LBFGSLineSearch: 16 17:14:06 -90.373595 0.000419 LBFGSLineSearch: 17 17:14:10 -90.373595 0.000361 LBFGSLineSearch: 18 17:14:14 -90.373595 0.000435 LBFGSLineSearch: 19 17:14:18 -90.373596 0.000423 LBFGSLineSearch: 20 17:14:22 -90.373596 0.000224 LBFGSLineSearch: 21 17:14:26 -90.373596 0.000243 LBFGSLineSearch: 22 17:14:30 -90.373596 0.000313 LBFGSLineSearch: 23 17:14:34 -90.373596 0.000205 LBFGSLineSearch: 24 17:14:38 -90.373596 0.000177 LBFGSLineSearch: 25 17:14:43 -90.373596 0.000158 LBFGSLineSearch: 26 17:14:47 -90.373596 0.000055 LBFGSLineSearch: 27 17:14:51 -90.373596 0.000000 Minimization converged after 27 steps. Pressure: -21.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:15:00 -90.831535 0.032710 LBFGSLineSearch: 1 17:15:05 -90.832108 0.012211 LBFGSLineSearch: 2 17:15:09 -90.832155 0.013786 LBFGSLineSearch: 3 17:15:13 -90.832212 0.012014 LBFGSLineSearch: 4 17:15:17 -90.832296 0.009048 LBFGSLineSearch: 5 17:15:21 -90.832327 0.005697 LBFGSLineSearch: 6 17:15:26 -90.832341 0.003180 LBFGSLineSearch: 7 17:15:30 -90.832345 0.002938 LBFGSLineSearch: 8 17:15:35 -90.832348 0.002559 LBFGSLineSearch: 9 17:15:40 -90.832349 0.002361 LBFGSLineSearch: 10 17:15:45 -90.832353 0.001278 LBFGSLineSearch: 11 17:15:52 -90.832355 0.001699 LBFGSLineSearch: 12 17:15:54 -90.832356 0.001685 LBFGSLineSearch: 13 17:15:57 -90.832358 0.000656 LBFGSLineSearch: 14 17:16:01 -90.832358 0.000727 LBFGSLineSearch: 15 17:16:07 -90.832358 0.000714 LBFGSLineSearch: 16 17:16:11 -90.832358 0.000557 LBFGSLineSearch: 17 17:16:15 -90.832358 0.000494 LBFGSLineSearch: 18 17:16:22 -90.832359 0.000616 LBFGSLineSearch: 19 17:16:27 -90.832359 0.000298 LBFGSLineSearch: 20 17:16:31 -90.832359 0.000327 LBFGSLineSearch: 21 17:16:36 -90.832359 0.000357 LBFGSLineSearch: 22 17:16:41 -90.832359 0.000254 LBFGSLineSearch: 23 17:16:46 -90.832359 0.000209 LBFGSLineSearch: 24 17:16:48 -90.832359 0.000190 LBFGSLineSearch: 25 17:16:53 -90.832359 0.000149 LBFGSLineSearch: 26 17:16:57 -90.832359 0.000032 LBFGSLineSearch: 27 17:17:00 -90.832359 0.000000 Minimization converged after 27 steps. Pressure: -21.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:17:07 -91.291956 0.032828 LBFGSLineSearch: 1 17:17:12 -91.292539 0.012194 LBFGSLineSearch: 2 17:17:15 -91.292590 0.013987 LBFGSLineSearch: 3 17:17:20 -91.292649 0.012295 LBFGSLineSearch: 4 17:17:24 -91.292738 0.009315 LBFGSLineSearch: 5 17:17:28 -91.292772 0.005955 LBFGSLineSearch: 6 17:17:33 -91.292786 0.003362 LBFGSLineSearch: 7 17:17:36 -91.292791 0.003130 LBFGSLineSearch: 8 17:17:40 -91.292794 0.002739 LBFGSLineSearch: 9 17:17:45 -91.292796 0.002505 LBFGSLineSearch: 10 17:17:51 -91.292800 0.001430 LBFGSLineSearch: 11 17:17:57 -91.292803 0.001915 LBFGSLineSearch: 12 17:18:02 -91.292804 0.001881 LBFGSLineSearch: 13 17:18:07 -91.292807 0.000749 LBFGSLineSearch: 14 17:18:10 -91.292807 0.000884 LBFGSLineSearch: 15 17:18:16 -91.292807 0.000831 LBFGSLineSearch: 16 17:18:20 -91.292808 0.000630 LBFGSLineSearch: 17 17:18:26 -91.292808 0.000834 LBFGSLineSearch: 18 17:18:32 -91.292809 0.000461 LBFGSLineSearch: 19 17:18:33 -91.292809 0.000409 LBFGSLineSearch: 20 17:18:35 -91.292809 0.000423 LBFGSLineSearch: 21 17:18:39 -91.292809 0.000419 LBFGSLineSearch: 22 17:18:43 -91.292809 0.000319 LBFGSLineSearch: 23 17:18:47 -91.292809 0.000260 LBFGSLineSearch: 24 17:18:51 -91.292809 0.000211 LBFGSLineSearch: 25 17:18:56 -91.292809 0.000173 LBFGSLineSearch: 26 17:19:00 -91.292809 0.000017 LBFGSLineSearch: 27 17:19:03 -91.292809 0.000003 Minimization converged after 27 steps. Pressure: -22.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:19:12 -91.754122 0.032953 LBFGSLineSearch: 1 17:19:15 -91.754715 0.012176 LBFGSLineSearch: 2 17:19:18 -91.754771 0.014201 LBFGSLineSearch: 3 17:19:24 -91.754833 0.012586 LBFGSLineSearch: 4 17:19:27 -91.754928 0.009608 LBFGSLineSearch: 5 17:19:30 -91.754964 0.006246 LBFGSLineSearch: 6 17:19:31 -91.754983 0.003368 LBFGSLineSearch: 7 17:19:31 -91.754986 0.003324 LBFGSLineSearch: 8 17:19:32 -91.754990 0.002782 LBFGSLineSearch: 9 17:19:36 -91.754995 0.001722 LBFGSLineSearch: 10 17:19:42 -91.754998 0.002392 LBFGSLineSearch: 11 17:19:46 -91.755000 0.001896 LBFGSLineSearch: 12 17:19:51 -91.755005 0.001102 LBFGSLineSearch: 13 17:19:56 -91.755005 0.001077 LBFGSLineSearch: 14 17:20:00 -91.755006 0.000839 LBFGSLineSearch: 15 17:20:04 -91.755006 0.000825 LBFGSLineSearch: 16 17:20:09 -91.755007 0.001510 LBFGSLineSearch: 17 17:20:13 -91.755007 0.000766 LBFGSLineSearch: 18 17:20:19 -91.755008 0.000543 LBFGSLineSearch: 19 17:20:25 -91.755008 0.000532 LBFGSLineSearch: 20 17:20:28 -91.755008 0.000440 LBFGSLineSearch: 21 17:20:33 -91.755008 0.000443 LBFGSLineSearch: 22 17:20:39 -91.755008 0.000233 LBFGSLineSearch: 23 17:20:44 -91.755008 0.000026 LBFGSLineSearch: 24 17:20:49 -91.755008 0.000000 Minimization converged after 24 steps. Pressure: -22.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:20:58 -92.218106 0.033078 LBFGSLineSearch: 1 17:21:04 -92.218709 0.012162 LBFGSLineSearch: 2 17:21:06 -92.218771 0.014429 LBFGSLineSearch: 3 17:21:11 -92.218836 0.012886 LBFGSLineSearch: 4 17:21:15 -92.218937 0.009948 LBFGSLineSearch: 5 17:21:20 -92.218975 0.006504 LBFGSLineSearch: 6 17:21:25 -92.218997 0.003818 LBFGSLineSearch: 7 17:21:31 -92.219000 0.003516 LBFGSLineSearch: 8 17:21:35 -92.219005 0.002987 LBFGSLineSearch: 9 17:21:40 -92.219012 0.002042 LBFGSLineSearch: 10 17:21:45 -92.219013 0.002423 LBFGSLineSearch: 11 17:21:50 -92.219018 0.001752 LBFGSLineSearch: 12 17:21:54 -92.219020 0.002954 LBFGSLineSearch: 13 17:21:59 -92.219026 0.001323 LBFGSLineSearch: 14 17:22:03 -92.219026 0.001352 LBFGSLineSearch: 15 17:22:07 -92.219026 0.001298 LBFGSLineSearch: 16 17:22:13 -92.219027 0.000995 LBFGSLineSearch: 17 17:22:18 -92.219028 0.000989 LBFGSLineSearch: 18 17:22:23 -92.219029 0.001421 LBFGSLineSearch: 19 17:22:28 -92.219031 0.000829 LBFGSLineSearch: 20 17:22:32 -92.219031 0.000695 LBFGSLineSearch: 21 17:22:37 -92.219031 0.000620 LBFGSLineSearch: 22 17:22:41 -92.219031 0.000514 LBFGSLineSearch: 23 17:22:45 -92.219031 0.000475 LBFGSLineSearch: 24 17:22:50 -92.219032 0.000215 LBFGSLineSearch: 25 17:22:53 -92.219032 0.000135 LBFGSLineSearch: 26 17:22:57 -92.219032 0.000043 LBFGSLineSearch: 27 17:23:00 -92.219032 0.000003 Minimization converged after 27 steps. Pressure: -23.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:09 -92.683996 0.033214 LBFGSLineSearch: 1 17:23:15 -92.684610 0.012148 LBFGSLineSearch: 2 17:23:16 -92.684677 0.014671 LBFGSLineSearch: 3 17:23:18 -92.684746 0.013202 LBFGSLineSearch: 4 17:23:20 -92.684854 0.010342 LBFGSLineSearch: 5 17:23:20 -92.684896 0.006789 LBFGSLineSearch: 6 17:23:21 -92.684914 0.004259 LBFGSLineSearch: 7 17:23:21 -92.684923 0.003995 LBFGSLineSearch: 8 17:23:21 -92.684927 0.004038 LBFGSLineSearch: 9 17:23:21 -92.684932 0.003213 LBFGSLineSearch: 10 17:23:21 -92.684939 0.002847 LBFGSLineSearch: 11 17:23:23 -92.684943 0.002474 LBFGSLineSearch: 12 17:23:24 -92.684951 0.002855 LBFGSLineSearch: 13 17:23:24 -92.684960 0.002438 LBFGSLineSearch: 14 17:23:25 -92.684962 0.001704 LBFGSLineSearch: 15 17:23:25 -92.684962 0.001748 LBFGSLineSearch: 16 17:23:25 -92.684964 0.001351 LBFGSLineSearch: 17 17:23:25 -92.684967 0.001624 LBFGSLineSearch: 18 17:23:25 -92.684968 0.001772 LBFGSLineSearch: 19 17:23:25 -92.684969 0.001906 LBFGSLineSearch: 20 17:23:25 -92.684971 0.000854 LBFGSLineSearch: 21 17:23:26 -92.684972 0.000713 LBFGSLineSearch: 22 17:23:26 -92.684972 0.000633 LBFGSLineSearch: 23 17:23:26 -92.684972 0.000218 LBFGSLineSearch: 24 17:23:26 -92.684972 0.000202 LBFGSLineSearch: 25 17:23:26 -92.684972 0.000068 LBFGSLineSearch: 26 17:23:27 -92.684972 0.000001 Minimization converged after 26 steps. Pressure: -23.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:23:34 -93.151910 0.033353 LBFGSLineSearch: 1 17:23:36 -93.152536 0.012143 LBFGSLineSearch: 2 17:23:37 -93.152610 0.014940 LBFGSLineSearch: 3 17:23:39 -93.152683 0.013541 LBFGSLineSearch: 4 17:23:43 -93.152801 0.010818 LBFGSLineSearch: 5 17:23:45 -93.152846 0.007142 LBFGSLineSearch: 6 17:23:46 -93.152866 0.004938 LBFGSLineSearch: 7 17:23:46 -93.152877 0.004496 LBFGSLineSearch: 8 17:23:47 -93.152882 0.004221 LBFGSLineSearch: 9 17:23:47 -93.152886 0.004068 LBFGSLineSearch: 10 17:23:48 -93.152892 0.003847 LBFGSLineSearch: 11 17:23:52 -93.152906 0.003046 LBFGSLineSearch: 12 17:23:54 -93.152909 0.003137 LBFGSLineSearch: 13 17:23:54 -93.152921 0.002756 LBFGSLineSearch: 14 17:23:54 -93.152925 0.004428 LBFGSLineSearch: 15 17:23:54 -93.152937 0.002214 LBFGSLineSearch: 16 17:23:54 -93.152940 0.002260 LBFGSLineSearch: 17 17:23:54 -93.152942 0.002304 LBFGSLineSearch: 18 17:23:54 -93.152946 0.002534 LBFGSLineSearch: 19 17:23:55 -93.152954 0.002178 LBFGSLineSearch: 20 17:23:55 -93.152956 0.002076 LBFGSLineSearch: 21 17:23:55 -93.152959 0.001097 LBFGSLineSearch: 22 17:23:55 -93.152959 0.001050 LBFGSLineSearch: 23 17:23:55 -93.152960 0.000970 LBFGSLineSearch: 24 17:23:55 -93.152960 0.000821 LBFGSLineSearch: 25 17:23:55 -93.152960 0.000592 LBFGSLineSearch: 26 17:23:55 -93.152961 0.000180 LBFGSLineSearch: 27 17:23:56 -93.152961 0.000081 LBFGSLineSearch: 28 17:23:58 -93.152961 0.000008 Minimization converged after 28 steps. Pressure: -24.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:24:04 -93.622035 0.033509 LBFGSLineSearch: 1 17:24:08 -93.622673 0.012138 LBFGSLineSearch: 2 17:24:12 -93.622754 0.015228 LBFGSLineSearch: 3 17:24:16 -93.622833 0.013900 LBFGSLineSearch: 4 17:24:17 -93.622962 0.011446 LBFGSLineSearch: 5 17:24:17 -93.623013 0.007613 LBFGSLineSearch: 6 17:24:19 -93.623035 0.006554 LBFGSLineSearch: 7 17:24:20 -93.623056 0.005267 LBFGSLineSearch: 8 17:24:21 -93.623064 0.004796 LBFGSLineSearch: 9 17:24:22 -93.623072 0.005097 LBFGSLineSearch: 10 17:24:25 -93.623096 0.004294 LBFGSLineSearch: 11 17:24:28 -93.623113 0.005161 LBFGSLineSearch: 12 17:24:31 -93.623128 0.004728 LBFGSLineSearch: 13 17:24:36 -93.623167 0.003896 LBFGSLineSearch: 14 17:24:37 -93.623169 0.003911 LBFGSLineSearch: 15 17:24:39 -93.623184 0.003579 LBFGSLineSearch: 16 17:24:41 -93.623186 0.003857 LBFGSLineSearch: 17 17:24:42 -93.623213 0.002941 LBFGSLineSearch: 18 17:24:43 -93.623216 0.003178 LBFGSLineSearch: 19 17:24:43 -93.623220 0.002740 LBFGSLineSearch: 20 17:24:46 -93.623226 0.001503 LBFGSLineSearch: 21 17:24:50 -93.623227 0.001308 LBFGSLineSearch: 22 17:24:51 -93.623227 0.001256 LBFGSLineSearch: 23 17:24:51 -93.623227 0.001207 LBFGSLineSearch: 24 17:24:52 -93.623227 0.000957 LBFGSLineSearch: 25 17:24:53 -93.623228 0.000401 LBFGSLineSearch: 26 17:24:53 -93.623229 0.000092 LBFGSLineSearch: 27 17:24:54 -93.623229 0.000031 LBFGSLineSearch: 28 17:24:54 -93.623229 0.000008 Minimization converged after 28 steps. Pressure: -24.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:00 -94.094785 0.033684 LBFGSLineSearch: 1 17:25:01 -94.095437 0.012178 LBFGSLineSearch: 2 17:25:02 -94.095527 0.015599 LBFGSLineSearch: 3 17:25:02 -94.095613 0.014323 LBFGSLineSearch: 4 17:25:02 -94.095761 0.012385 LBFGSLineSearch: 5 17:25:02 -94.095822 0.008351 LBFGSLineSearch: 6 17:25:03 -94.095845 0.009082 LBFGSLineSearch: 7 17:25:03 -94.095885 0.006964 LBFGSLineSearch: 8 17:25:03 -94.095903 0.007328 LBFGSLineSearch: 9 17:25:03 -94.095912 0.007210 LBFGSLineSearch: 10 17:25:04 -94.095925 0.009302 LBFGSLineSearch: 11 17:25:05 -94.095978 0.006801 LBFGSLineSearch: 12 17:25:05 -94.095992 0.007646 LBFGSLineSearch: 13 17:25:07 -94.096018 0.014489 LBFGSLineSearch: 14 17:25:07 -94.096103 0.008002 LBFGSLineSearch: 15 17:25:08 -94.096132 0.012441 LBFGSLineSearch: 16 17:25:09 -94.096242 0.007804 LBFGSLineSearch: 17 17:25:09 -94.096277 0.009912 LBFGSLineSearch: 18 17:25:10 -94.096301 0.012548 LBFGSLineSearch: 19 17:25:11 -94.120938 0.097008 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 19 steps. Final forces: [[-1.93196629e-02 -9.14969250e-02 2.70701084e-02] [ 1.93196629e-02 -9.14969250e-02 -2.70701084e-02] [ 1.93196629e-02 9.14969250e-02 -2.70701084e-02] [-1.93196629e-02 9.14969250e-02 2.70701084e-02] [-3.39096295e-18 9.54105991e-02 1.39176243e-19] [ 3.39096295e-18 -9.54105991e-02 -1.39176243e-19] [ 2.11649303e-02 -8.17809202e-03 -4.89070634e-02] [-2.11649303e-02 -8.17809202e-03 4.89070634e-02] [-2.11649303e-02 8.17809202e-03 4.89070634e-02] [ 2.11649303e-02 8.17809202e-03 -4.89070634e-02] [-3.06095007e-02 -3.34140527e-02 -2.85526732e-02] [ 3.06095007e-02 -3.34140527e-02 2.85526732e-02] [ 3.06095007e-02 3.34140527e-02 2.85526732e-02] [-3.06095007e-02 3.34140527e-02 -2.85526732e-02]] Final stress: [1.48102565e-01 1.45883238e-01 1.52533529e-01 1.92371441e-17 4.98866757e-03 6.29597410e-18] Pressure: -25.0 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:17 -94.606663 0.112892 LBFGSLineSearch: 1 17:25:18 -94.613851 0.126186 LBFGSLineSearch: 2 17:25:18 -94.623227 0.177445 LBFGSLineSearch: 3 17:25:18 -94.795208 0.814988 LineSearch failed.Assuming it is non-fatal and accepting result with disclaimer. Minimization stalled after 3 steps. Final forces: [[ 8.73567886e-02 -9.31635938e-02 -7.93198133e-01] [-8.73567886e-02 -9.31635938e-02 7.93198133e-01] [-8.73567886e-02 9.31635938e-02 7.93198133e-01] [ 8.73567886e-02 9.31635938e-02 -7.93198133e-01] [-1.15016139e-18 1.68763131e-01 3.73611575e-20] [ 1.15016139e-18 -1.68763131e-01 -3.73611575e-20] [ 4.36929021e-02 1.10866184e-01 1.88198581e-01] [-4.36929021e-02 1.10866184e-01 -1.88198581e-01] [-4.36929021e-02 -1.10866184e-01 -1.88198581e-01] [ 4.36929021e-02 -1.10866184e-01 1.88198581e-01] [ 1.84825612e-01 -4.72195923e-02 2.31523667e-01] [-1.84825612e-01 -4.72195923e-02 -2.31523667e-01] [-1.84825612e-01 4.72195923e-02 -2.31523667e-01] [ 1.84825612e-01 4.72195923e-02 2.31523667e-01]] Final stress: [1.49690724e-01 1.67458094e-01 1.43913487e-01 6.32068746e-17 1.90506202e-02 8.53972121e-17] Pressure: -25.5 GPa Step Time Energy fmax LBFGSLineSearch: 0 17:25:25 -95.309381 0.803414 LBFGSLineSearch: 1 17:25:25 -95.434523 0.408838 LBFGSLineSearch: 2 17:25:25 -95.532803 0.437988 LBFGSLineSearch: 3 17:25:26 -95.622815 0.678041 LBFGSLineSearch: 4 17:25:26 -95.742707 1.040645 LBFGSLineSearch: 5 17:25:26 -95.994241 0.960871 LBFGSLineSearch: 6 17:25:26 -96.155686 0.898851 LBFGSLineSearch: 7 17:25:27 -96.397173 0.615624 LBFGSLineSearch: 8 17:25:27 -96.485012 0.599405 LBFGSLineSearch: 9 17:25:27 -96.726351 0.591728 LBFGSLineSearch: 10 17:25:27 -96.827640 0.602776 LBFGSLineSearch: 11 17:25:27 -96.906818 0.660712 LBFGSLineSearch: 12 17:25:28 -97.006833 0.558972 LBFGSLineSearch: 13 17:25:28 -97.085523 0.403350 LBFGSLineSearch: 14 17:25:28 -97.143718 0.380931 LBFGSLineSearch: 15 17:25:28 -97.176172 0.353507 LBFGSLineSearch: 16 17:25:28 -97.207346 0.298618 LBFGSLineSearch: 17 17:25:28 -97.238861 0.238900 LBFGSLineSearch: 18 17:25:28 -97.259789 0.217003 LBFGSLineSearch: 19 17:25:29 -97.271744 0.206992 LBFGSLineSearch: 20 17:25:29 -97.279026 0.178167 LBFGSLineSearch: 21 17:25:29 -97.291770 0.200069 LBFGSLineSearch: 22 17:25:29 -97.310139 0.148153 LBFGSLineSearch: 23 17:25:30 -97.318222 0.112959 LBFGSLineSearch: 24 17:25:31 -97.321503 0.064724 LBFGSLineSearch: 25 17:25:33 -97.749577 2.171512 LBFGSLineSearch: 26 17:25:33 -97.750969 2.251824 LBFGSLineSearch: 27 17:25:37 -99.173995 2.874773 LBFGSLineSearch: 28 17:25:37 -99.270186 2.838219 LBFGSLineSearch: 29 17:25:37 -99.741130 2.591544 LBFGSLineSearch: 30 17:25:38 -100.552916 1.782421 LBFGSLineSearch: 31 17:25:39 -100.970620 1.982683 LBFGSLineSearch: 32 17:25:39 -101.448996 1.866776 LBFGSLineSearch: 33 17:25:39 -102.026017 2.017997 LBFGSLineSearch: 34 17:25:39 -103.276834 2.337640 LBFGSLineSearch: 35 17:25:39 -103.671231 1.658386 LBFGSLineSearch: 36 17:25:39 -104.679841 2.003188 LBFGSLineSearch: 37 17:25:40 -105.815021 3.154220 LBFGSLineSearch: 38 17:25:40 -106.894692 2.376654 LBFGSLineSearch: 39 17:25:40 -108.548446 3.041346 Failed to get energy or crystal structure at pressure -25.5 GPa. Exception: StopScanError('Volume exceeded prescribed range, stopping pressure scan.')