element(s): ['V'] 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: ['3.8599'] model name: EAM_Dynamo_HanZepedaAckland_2003_V__MO_411020944797_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['V'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.8599, 0, 0], [0, 3.8599, 0], [0, 0, 3.8599]] ========================================= Step Time Energy fmax BFGS: 0 15:34:16 -20.433814 0.907349 BFGS: 1 15:34:16 -20.467319 0.813796 BFGS: 2 15:34:16 -20.555804 0.334623 BFGS: 3 15:34:16 -20.568388 0.104467 BFGS: 4 15:34:16 -20.569634 0.004315 BFGS: 5 15:34:16 -20.569636 0.000020 BFGS: 6 15:34:16 -20.569636 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.692326805855018e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.87990610e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.43995305e-35]] cellpar = Cell([[3.946653692082037, 3.706690853023518e-33, 1.559893313715977e-33], [7.943973673576004e-33, 3.946653692082037, -1.1430641330148456e-18], [5.183618706369575e-33, -1.1430641330148485e-18, 3.946653692082037]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.69232681e-10 2.69232681e-10 2.69232681e-10 4.41990340e-26 2.30309881e-43 -5.44370294e-59] energy per atom = -5.142409024878449 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0