element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 16:31:06 -17.795817 0.161893 BFGS: 1 16:31:06 -17.796863 0.139920 BFGS: 2 16:31:06 -17.799999 0.002816 BFGS: 3 16:31:06 -17.800000 0.000051 BFGS: 4 16:31:06 -17.800000 0.000000 BFGS: 5 16:31:06 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1299287374698718e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5200000645276774, -1.2583501977250615e-33, 1.6426949406800487e-35], [7.205438413147828e-38, 3.5200000645276774, 4.419121269765936e-20], [7.73605562945807e-34, 4.4191212697659555e-20, 3.5200000645276774]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.12992874e-14 -1.12992874e-14 -1.12992874e-14 -6.04230584e-31 -3.88564031e-36 2.81976753e-52] energy per atom = -4.450000005266396 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0