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 17:57:27 0.000848 0.0081 BFGS: 1 17:57:27 0.000846 0.0081 BFGS: 2 17:57:27 0.000120 0.0022 BFGS: 3 17:57:27 0.000034 0.0010 BFGS: 4 17:57:27 0.000007 0.0003 BFGS: 5 17:57:27 0.000002 0.0001 BFGS: 6 17:57:27 0.000000 0.0001 BFGS: 7 17:57:27 0.000000 0.0000 BFGS: 8 17:57:27 0.000000 0.0000 BFGS: 9 17:57:27 0.000000 0.0000 BFGS: 10 17:57:27 0.000000 0.0000 BFGS: 11 17:57:27 0.000000 0.0000 BFGS: 12 17:57:27 0.000000 0.0000 BFGS: 13 17:57:27 0.000000 0.0000 BFGS: 14 17:57:27 0.000000 0.0000 BFGS: 15 17:57:27 0.000000 0.0000 BFGS: 16 17:57:27 0.000000 0.0000 Minimization converged after 16 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.7970938761574673e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['He', 'He'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.4640014194249815, 3.717256770844105e-32, -3.6137532589713004e-33], [3.31508791822284e-32, 3.4640014194249815, -6.96881120325136e-18], [-1.344480534544129e-32, -6.968811203251342e-18, 3.4640014194249815]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.79709388e-10 -2.79709388e-10 -2.79709388e-10 9.14681595e-28 8.16362746e-40 -3.36131807e-57] energy per atom = 2.797225670337898e-13 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0