element(s): ['Co'] AFLOW prototype label: A_tI2_139_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9317', '0.99628202'] model name: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 139 cell = [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]] ========================================= Step Time Energy fmax BFGS: 0 14:57:16 -8.497599 1.218910 BFGS: 1 14:57:16 -8.555285 1.004343 BFGS: 2 14:57:16 -8.648196 0.215826 BFGS: 3 14:57:16 -8.650576 0.071978 BFGS: 4 14:57:16 -8.651354 0.153436 BFGS: 5 14:57:16 -8.649808 0.162655 BFGS: 6 14:57:16 -8.650939 0.077597 BFGS: 7 14:57:16 -8.651211 0.160996 BFGS: 8 14:57:16 -8.651190 0.050979 BFGS: 9 14:57:17 -8.651271 0.038251 BFGS: 10 14:57:17 -8.651224 0.184637 BFGS: 11 14:57:17 -8.651306 0.031241 BFGS: 12 14:57:17 -8.651325 0.025819 BFGS: 13 14:57:17 -8.651341 0.174854 BFGS: 14 14:57:17 -8.651335 0.017725 BFGS: 15 14:57:17 -8.651339 0.012665 BFGS: 16 14:57:17 -8.651352 0.032792 BFGS: 17 14:57:17 -8.651311 0.201757 BFGS: 18 14:57:17 -8.651361 0.055922 BFGS: 19 14:57:18 -8.651378 0.055510 BFGS: 20 14:57:18 -8.648738 0.180451 BFGS: 21 14:57:18 -8.651083 0.035735 BFGS: 22 14:57:18 -8.651068 0.174436 BFGS: 23 14:57:18 -8.651159 0.030530 BFGS: 24 14:57:18 -8.651161 0.008488 BFGS: 25 14:57:18 -8.651161 0.002153 BFGS: 26 14:57:18 -8.651161 0.001800 BFGS: 27 14:57:18 -8.651162 0.010664 BFGS: 28 14:57:19 -8.651172 0.022397 BFGS: 29 14:57:19 -8.651207 0.050802 BFGS: 30 14:57:19 -8.651366 0.043439 BFGS: 31 14:57:19 -8.651459 0.051973 BFGS: 32 14:57:19 -8.651329 0.067918 BFGS: 33 14:57:19 -8.651464 0.358870 BFGS: 34 14:57:19 -8.651494 0.125529 BFGS: 35 14:57:19 -8.651523 0.132006 BFGS: 36 14:57:19 -8.651094 0.340987 BFGS: 37 14:57:19 -8.651364 0.083439 BFGS: 38 14:57:20 -8.651488 0.353399 BFGS: 39 14:57:20 -8.651535 0.150479 BFGS: 40 14:57:20 -8.651601 0.154534 BFGS: 41 14:57:20 -8.650753 0.049530 BFGS: 42 14:57:20 -8.650865 0.029161 BFGS: 43 14:57:20 -8.650923 0.044162 BFGS: 44 14:57:20 -8.650905 0.016142 BFGS: 45 14:57:20 -8.650915 0.011962 BFGS: 46 14:57:20 -8.650910 0.059345 BFGS: 47 14:57:20 -8.650918 0.012306 BFGS: 48 14:57:21 -8.650922 0.017621 BFGS: 49 14:57:21 -8.650928 0.022202 BFGS: 50 14:57:21 -8.650928 0.012447 BFGS: 51 14:57:21 -8.650930 0.004216 BFGS: 52 14:57:21 -8.650930 0.003410 BFGS: 53 14:57:21 -8.650930 0.002311 BFGS: 54 14:57:21 -8.650930 0.000816 BFGS: 55 14:57:21 -8.650930 0.000304 BFGS: 56 14:57:21 -8.650930 0.000057 BFGS: 57 14:57:22 -8.650930 0.000009 BFGS: 58 14:57:22 -8.650930 0.000000 BFGS: 59 14:57:22 -8.650930 0.000000 BFGS: 60 14:57:22 -8.650930 0.000000 Minimization converged after 60 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.551313164714522e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8148382312649054, -1.2467290836563933e-35, 1.9991072952008994e-32], [1.2158053308867958e-35, 2.8148382312649045, -5.37154478799142e-18], [-1.975167471726604e-32, -5.3476032405249165e-18, 2.814838231243064]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 5.48531265e-11 5.48531265e-11 -6.55131316e-11 -2.12825163e-26 -2.43071254e-34 -6.86974171e-50] energy per atom = -4.308328749556919 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cI2_229_a. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.