element(s): ['H'] AFLOW prototype label: A_tP1_123_a Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.1695', '0.94664774'] model name: EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM1_WHHe__MO_292520929154_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['H'] representative atom coordinates = [[0 0 0]] spacegroup = 123 cell = [[3.1695, 0, 0], [0, 3.1695, 0], [0, 0, 3.0004]] ========================================= Step Time Energy fmax BFGS: 0 17:30:40 -0.000000 0.0000 Minimization converged after 0 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.065955708618243e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['H'] basis = [[0. 0. 0.]] cellpar = Cell([3.1694999999999993, 3.1694999999999993, 3.0004]) forces = [[0. 0. 0.]] stress = [ 0.00000000e+00 0.00000000e+00 -3.06595571e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -1.8203635959711314e-12 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0