element(s): ['Co'] 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: ['3.5722'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_Co__MO_924630542818_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 15:06:12 -17.600206 0.232870 BFGS: 1 15:06:12 -17.602386 0.204058 BFGS: 2 15:06:12 -17.609346 0.009475 BFGS: 3 15:06:12 -17.609360 0.000239 BFGS: 4 15:06:12 -17.609360 0.000003 BFGS: 5 15:06:12 -17.609360 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0220623889269665e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5490981934096397, -7.680712569755369e-33, -3.0876740415440565e-33], [-7.300364547880823e-33, 3.5490981934096397, 2.0753303715076817e-19], [-1.3570941298066663e-33, 2.0753303715076555e-19, 3.5490981934096397]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.02206239e-10 1.02206239e-10 1.02206239e-10 -1.07222996e-26 4.07730488e-35 -2.41655926e-51] energy per atom = -4.402339915462825 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0