element(s): ['He'] 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: ['4.1026'] 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 = 225 cell = [[4.1026, 0, 0], [0, 4.1026, 0], [0, 0, 4.1026]] ========================================= Step Time Energy fmax BFGS: 0 17:01:10 0.000746 0.0055 BFGS: 1 17:01:10 0.000745 0.0055 BFGS: 2 17:01:10 0.000190 0.0022 BFGS: 3 17:01:10 0.000043 0.0008 BFGS: 4 17:01:10 0.000010 0.0003 BFGS: 5 17:01:10 0.000002 0.0001 BFGS: 6 17:01:10 0.000001 0.0000 BFGS: 7 17:01:10 0.000000 0.0000 BFGS: 8 17:01:10 0.000000 0.0000 BFGS: 9 17:01:10 0.000000 0.0000 BFGS: 10 17:01:10 0.000000 0.0000 BFGS: 11 17:01:10 0.000000 0.0000 BFGS: 12 17:01:10 0.000000 0.0000 BFGS: 13 17:01:10 0.000000 0.0000 BFGS: 14 17:01:10 0.000000 0.0000 BFGS: 15 17:01:11 0.000000 0.0000 BFGS: 16 17:01:11 0.000000 0.0000 Minimization converged after 16 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.0907190432032345e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['He', 'He', 'He', 'He'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.53952746e-35]] cellpar = Cell([[4.242578028127141, 8.431255171487174e-33, 1.1427672870287345e-32], [1.2120165382004146e-32, 4.242578028127141, 1.1701232720925533e-18], [-1.0373748995067118e-32, 1.1701232720925668e-18, 4.242578028127141]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.09071904e-10 -4.09071904e-10 -4.09071904e-10 4.82035626e-27 -1.86014891e-43 -1.29324300e-58] energy per atom = 7.675299995425251e-14 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0