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_2019quadratic_Ni__MO_263593395744_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 18:07:16 -11.335646 0.0177 BFGS: 1 18:07:16 -11.335658 0.0149 BFGS: 2 18:07:16 -11.335688 0.0001 BFGS: 3 18:07:16 -11.335688 0.0000 BFGS: 4 18:07:16 -11.335688 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.789660374111735e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7822092288015146, 3.690960723406624e-33, 4.253105419013563e-34], [-1.4769387107553812e-33, 2.7822092288015146, 4.750380296714314e-23], [4.6864857513407816e-33, 4.750380296086687e-23, 2.7822092288015146]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 9.78966037e-12 9.78966037e-12 9.78966037e-12 2.01407015e-27 -3.31741402e-35 -3.38022639e-51] energy per atom = -5.690543305039791 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0