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 16:21:27 -20.433814 0.907349 BFGS: 1 16:21:27 -20.467319 0.813796 BFGS: 2 16:21:27 -20.555804 0.334623 BFGS: 3 16:21:27 -20.568388 0.104467 BFGS: 4 16:21:27 -20.569634 0.004315 BFGS: 5 16:21:27 -20.569636 0.000020 BFGS: 6 16:21:27 -20.569636 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.692329678699025e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.50134094e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.9466536920820374, 1.3411439595578165e-34, 5.6649469694837725e-34], [1.0460077006296689e-33, 3.9466536920820374, -1.1936297548778527e-18], [-8.008997668510288e-34, -1.1936297548778504e-18, 3.9466536920820374]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.69232968e-10 2.69232968e-10 2.69232968e-10 -1.42621207e-26 3.29724470e-35 -2.68112830e-52] energy per atom = -5.142409024878464 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0