element(s): ['Cr'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8741'] model name: EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cr'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8741, 0, 0], [0, 2.8741, 0], [0, 0, 2.8741]] ========================================= Step Time Energy fmax BFGS: 0 15:51:24 -8.185136 0.212282 BFGS: 1 15:51:24 -8.186671 0.124919 BFGS: 2 15:51:24 -8.187474 0.001776 BFGS: 3 15:51:24 -8.187474 0.000013 BFGS: 4 15:51:24 -8.187474 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7728719471501436e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cr', 'Cr'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.884602683779572, -1.0748588776544872e-33, -1.7451820484466845e-33], [2.4974193104562025e-33, 2.884602683779572, -9.842061520794365e-22], [3.1855140921735393e-34, -9.842061520801497e-22, 2.884602683779572]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.77287195e-10 -1.77287195e-10 -1.77287195e-10 -5.08942190e-26 -9.25825515e-35 -1.27069714e-50] energy per atom = -4.093737047630505 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0