element(s): ['Ni'] 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: ['2.7844'] model name: EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 16:18:39 -8.762665 0.161798 BFGS: 1 16:18:39 -8.763675 0.129531 BFGS: 2 16:18:39 -8.765426 0.005185 BFGS: 3 16:18:39 -8.765428 0.000160 BFGS: 4 16:18:39 -8.765428 0.000000 BFGS: 5 16:18:39 -8.765428 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.344187697872751e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7687466492864545, -9.65215384474712e-33, 2.0318272040005624e-33], [-8.897099599700581e-33, 2.7687466492864545, 2.227197908609704e-19], [-1.4917387695878412e-32, 2.2271979086099415e-19, 2.7687466492864545]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.34418770e-13 -6.34418770e-13 -6.34418770e-13 -3.20264617e-29 -6.69950602e-35 -1.30286662e-50] energy per atom = -4.382714136757945 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0