element(s): ['He'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.292'] model name: EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM2_WHHe__MO_626183701337_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['He'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.292, 0, 0], [0, 3.292, 0], [0, 0, 3.292]] ========================================= Step Time Energy fmax BFGS: 0 15:58:39 0.000848 0.008115 BFGS: 1 15:58:39 0.000846 0.008097 BFGS: 2 15:58:39 0.000120 0.002200 BFGS: 3 15:58:39 0.000034 0.000951 BFGS: 4 15:58:39 0.000007 0.000346 BFGS: 5 15:58:39 0.000002 0.000135 BFGS: 6 15:58:39 0.000000 0.000051 BFGS: 7 15:58:39 0.000000 0.000020 BFGS: 8 15:58:39 0.000000 0.000007 BFGS: 9 15:58:40 0.000000 0.000003 BFGS: 10 15:58:40 0.000000 0.000001 BFGS: 11 15:58:40 0.000000 0.000000 BFGS: 12 15:58:40 0.000000 0.000000 BFGS: 13 15:58:40 0.000000 0.000000 BFGS: 14 15:58:40 0.000000 0.000000 BFGS: 15 15:58:40 0.000000 0.000000 BFGS: 16 15:58:40 0.000000 0.000000 Minimization converged after 16 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.797093875956023e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['He', 'He'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.4640014194249966, -6.020416950212446e-33, -9.074882371527795e-34], [1.3330098480169428e-32, 3.4640014194249966, -2.3762231470193606e-18], [4.90544912388283e-32, -2.3762231470193976e-18, 3.4640014194249966]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.79709388e-10 -2.79709388e-10 -2.79709388e-10 -1.54005885e-25 -3.82670037e-42 -1.54782258e-57] energy per atom = 2.797225669585453e-13 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0