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 16:51:28 0.001322 0.018233 BFGS: 1 16:51:28 0.001310 0.018134 BFGS: 2 16:51:28 0.000171 0.005459 BFGS: 3 16:51:28 0.000054 0.002847 BFGS: 4 16:51:28 0.000014 0.001342 BFGS: 5 16:51:28 0.000005 0.000714 BFGS: 6 16:51:28 0.000002 0.000378 BFGS: 7 16:51:28 0.000001 0.000167 BFGS: 8 16:51:28 0.000000 0.000060 BFGS: 9 16:51:28 0.000000 0.000024 BFGS: 10 16:51:28 0.000000 0.000009 BFGS: 11 16:51:28 0.000000 0.000003 BFGS: 12 16:51:28 0.000000 0.000001 BFGS: 13 16:51:28 0.000000 0.000001 BFGS: 14 16:51:28 0.000000 0.000000 BFGS: 15 16:51:28 0.000000 0.000000 BFGS: 16 16:51:28 0.000000 0.000000 BFGS: 17 16:51:28 0.000000 0.000000 BFGS: 18 16:51:28 0.000000 0.000000 Minimization converged after 18 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.433361648811164e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['He'] basis = [[0. 0. 0.]] cellpar = Cell([[3.034296084807498, 3.3723588360734587e-17, -2.466873057032119e-37], [-1.517148042403749, 2.6277774920469543, -9.594646526557936e-37], [-2.3453297060135092e-35, -6.900366450328732e-35, 2.9998736277645577]]) forces = [[0. 0. 0.]] stress = [-1.02484763e-79 -3.06543312e-79 -2.43336165e-10 7.51762473e-45 2.61913288e-45 -8.09154617e-80] energy per atom = 1.360232900323625e-13 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0