Model name? EAM_Dynamo_Mendelev_2003_Fe__MO_546673549085_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_cF4_225_a" }, "stoichiometric-species": { "source-value": [ "Fe" ] }, "a": { "source-value": 3.7691, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cF4_225_a" }, "short-name": { "source-value": "Face-Centered Cubic" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_974973521647_000" ] ] }, "duplicate_reference_data": [ "RD_652604472378_000", "RD_169241623152_000", "RD_715471943985_000", "RD_941221251574_000", "RD_510854026646_000", "RD_753387619562_000", "RD_688416860262_000", "RD_334670617710_000", "RD_080234194606_000", "RD_103699081636_000", "RD_972851143971_000", "RD_880587835101_000", "RD_367213174878_000", "RD_155211905029_000", "RD_064929894852_000", "RD_627194256266_000", "RD_203038746856_000" ] }, { "prototype-label": { "source-value": "A_cF4_225_a" }, "stoichiometric-species": { "source-value": [ "Fe" ] }, "a": { "source-value": 3.449, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cF4_225_a" }, "short-name": { "source-value": "Face-Centered Cubic" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_042905277219_000" ] ] }, "duplicate_reference_data": [ "RD_123368957305_000", "RD_369607188860_000", "RD_046229011471_000", "RD_883770423334_000", "RD_066381199774_000", "RD_247346342570_000", "RD_236646819214_000", "RD_271244388362_000", "RD_435972806831_000", "RD_180615109276_000", "RD_621894406844_000", "RD_008921019272_000", "RD_552796980244_000", "RD_663946721040_000", "RD_152505622834_000", "RD_828423310537_000", "RD_191504584176_000", "RD_311367470078_000", "RD_972698397514_000", "RD_781466824930_000", "RD_990109124567_000", "RD_170144765552_000" ] }, { "prototype-label": { "source-value": "A_cF4_225_a" }, "stoichiometric-species": { "source-value": [ "Fe" ] }, "a": { "source-value": 3.6011, "source-unit": "angstrom" }, "library-prototype-label": { "source-value": "A_cF4_225_a" }, "short-name": { "source-value": "Face-Centered Cubic" }, "crystal-genome-source-structure-id": { "source-value": [ [ "RD_761313000611_000" ] ] }, "duplicate_reference_data": [ "RD_063617093516_000", "RD_960586981713_000", "RD_491221675352_000", "RD_385507506900_000", "RD_668481606397_000" ] } ] Step Time Energy fmax LBFGSLineSearch: 0 17:06:34 -3.985717 0.425162 LBFGSLineSearch: 1 17:06:34 -4.002044 0.000991 LBFGSLineSearch: 2 17:06:34 -4.002045 0.000204 LBFGSLineSearch: 3 17:06:34 -4.002045 0.000000 Step Time Energy fmax LBFGSLineSearch: 0 17:06:54 -3.898073 1.254235 LBFGSLineSearch: 1 17:06:55 -4.002040 0.006225 LBFGSLineSearch: 2 17:06:55 -4.002044 0.002854 LBFGSLineSearch: 3 17:06:55 -4.002045 0.000037 LBFGSLineSearch: 4 17:06:55 -4.002045 0.000000 Step Time Energy fmax LBFGSLineSearch: 0 17:07:13 -3.996748 0.245549 LBFGSLineSearch: 1 17:07:13 -4.002044 0.001550 LBFGSLineSearch: 2 17:07:14 -4.002045 0.000417 LBFGSLineSearch: 3 17:07:14 -4.002045 0.000001