element(s): ['He'] AFLOW prototype label: A_hP1_191_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: ['2.8028', '0.97641644'] 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 = 191 cell = [[2.8028, 0, 0], [-1.4014, 2.427296001727, 0], [0, 0, 2.7367]] ========================================= Step Time Energy fmax BFGS: 0 15:29:09 0.001322 0.018233 BFGS: 1 15:29:09 0.001310 0.018134 BFGS: 2 15:29:09 0.000171 0.005459 BFGS: 3 15:29:09 0.000054 0.002847 BFGS: 4 15:29:09 0.000014 0.001342 BFGS: 5 15:29:09 0.000005 0.000714 BFGS: 6 15:29:09 0.000002 0.000378 BFGS: 7 15:29:09 0.000001 0.000167 BFGS: 8 15:29:09 0.000000 0.000060 BFGS: 9 15:29:09 0.000000 0.000024 BFGS: 10 15:29:09 0.000000 0.000009 BFGS: 11 15:29:09 0.000000 0.000003 BFGS: 12 15:29:09 0.000000 0.000001 BFGS: 13 15:29:09 0.000000 0.000001 BFGS: 14 15:29:09 0.000000 0.000000 BFGS: 15 15:29:09 0.000000 0.000000 BFGS: 16 15:29:09 0.000000 0.000000 BFGS: 17 15:29:09 0.000000 0.000000 BFGS: 18 15:29:09 0.000000 0.000000 Minimization converged after 18 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.433361648420481e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['He'] basis = [[0. 0. 0.]] cellpar = Cell([[3.0342960848075196, -5.248525403647739e-18, -3.6248386095674013e-38], [-1.5171480424037598, 2.6277774920469734, -3.192376140043518e-39], [-1.3041510339832205e-36, -3.560731089108724e-36, 2.9998736277645768]]) forces = [[0. 0. 0.]] stress = [-2.65389561e-82 -7.78934837e-82 -2.43336165e-10 3.75968441e-46 1.28016135e-46 -1.97792328e-82] energy per atom = 1.360232899957401e-13 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0