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: SNAP_ZuoChenLi_2019_Ni__MO_365106510449_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 17:09:01 -11.401184 0.171919 BFGS: 1 17:09:01 -11.402234 0.113107 BFGS: 2 17:09:01 -11.403054 0.003445 BFGS: 3 17:09:01 -11.403055 0.000072 BFGS: 4 17:09:01 -11.403055 0.000000 BFGS: 5 17:09:01 -11.403055 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.841601893463679e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7946060952523015, -5.880306090693435e-33, -1.280614455345495e-33], [-9.195799697287361e-34, 2.7946060952523015, -3.070676206530568e-22], [1.969530980207937e-33, -3.070676206558178e-22, 2.7946060952523015]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.84160189e-14 -5.84160189e-14 -5.84160189e-14 -2.29558313e-30 1.31521880e-34 -4.06553233e-52] energy per atom = -2.807964543690141 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0