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_MendelevKramerHao_2012_Ni__MO_832600236922_005 ==== 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 15:30:02 -17.538853 0.139894 BFGS: 1 15:30:02 -17.539636 0.121384 BFGS: 2 15:30:02 -17.542035 0.000911 BFGS: 3 15:30:02 -17.542035 0.000006 BFGS: 4 15:30:02 -17.542035 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.858354961066205e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.88973400e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.13840388e-37]] cellpar = Cell([[3.5181211164654234, 1.6933829765441653e-32, 4.580850872119426e-33], [1.3868111326764737e-32, 3.5181211164654234, 8.318608286064828e-21], [-7.063803406419138e-33, 8.318608286074023e-21, 3.5181211164654234]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.85835496e-11 -3.85835496e-11 -3.85835496e-11 -5.57479702e-28 1.29669449e-36 -1.85033433e-54] energy per atom = -4.38550876957301 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0