element(s): ['Ni'] 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: ['2.7844'] model name: EAM_Dynamo_MishinFarkasMehl_1999_Ni__MO_400591584784_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:18:38 -8.675972 0.019436 BFGS: 1 16:18:38 -8.675987 0.015505 BFGS: 2 16:18:38 -8.676012 0.000010 BFGS: 3 16:18:38 -8.676012 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.150608828957867e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7863122061925725, 2.2070360462429553e-33, -3.9313307956951975e-34], [7.308084573654421e-34, 2.7863122061925725, -1.8135922220099192e-23], [9.206760262544155e-35, -1.8135922219361422e-23, 2.7863122061925725]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 6.15060883e-10 6.15060883e-10 6.15060883e-10 5.51597794e-27 2.64612072e-34 -1.58493645e-51] energy per atom = -4.338006191958452 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0