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_VailheFarkas_1997_CoAl__MO_284963179498_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 16:15:17 -17.515819 0.325754 BFGS: 1 16:15:17 -17.520083 0.281718 BFGS: 2 16:15:17 -17.532451 0.009850 BFGS: 3 16:15:17 -17.532464 0.000985 BFGS: 4 16:15:17 -17.532464 0.000074 BFGS: 5 16:15:17 -17.532464 0.000000 BFGS: 6 16:15:17 -17.532464 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.236191783295957e-11 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([[3.542266849516024, -9.675717282720696e-33, -1.3524376870209236e-33], [-8.12056230645563e-33, 3.542266849516024, 2.5324205850943773e-20], [5.138998508361168e-33, 2.532420585094345e-20, 3.542266849516024]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.23619178e-11 2.23619178e-11 2.23619178e-11 -2.84923295e-29 -2.42096773e-59 -5.10366225e-60] energy per atom = -4.3831160489131085 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0