Model name? EDIP_LAMMPS_Marks_2000_C__MO_374144505645_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)? [ { "prototype-label": { "source-value": "A_hP2_191_c" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 2.4677, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.6162824 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_339218640688_000" ] ] }, "duplicate_reference_data": [] }, { "prototype-label": { "source-value": "A_hP2_191_c" }, "stoichiometric-species": { "source-value": [ "C" ] }, "a": { "source-value": 2.4647, "source-unit": "angstrom" }, "parameter-values": { "source-value": [ 1.3417049 ] }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_349496902978_000" ] ] }, "duplicate_reference_data": [] } ] NOTE: The configuration you provided has a maximum stress component 0.021285582172161494 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:39:12 -14.723386 0.223862 LBFGSLineSearch: 1 10:39:14 -14.724903 0.000469 LBFGSLineSearch: 2 10:39:15 -14.724903 0.000056 LBFGSLineSearch: 3 10:39:15 -14.724903 0.000000 NOTE: The configuration you provided has a maximum stress component 0.016503995534835492 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. Step Time Energy fmax LBFGSLineSearch: 0 10:39:42 -14.724280 0.143562 LBFGSLineSearch: 1 10:39:43 -14.724903 0.000192 LBFGSLineSearch: 2 10:39:44 -14.724903 0.000000