element(s): ['Ni', 'Ti'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.0337'] model name: MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni', 'Ti'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[3.0337, 0, 0], [0, 3.0337, 0], [0, 0, 3.0337]] ========================================= Step Time Energy fmax BFGS: 0 11:31:59 -10.090954 0.368480 BFGS: 1 11:31:59 -10.096128 0.286394 BFGS: 2 11:31:59 -10.103667 0.017324 BFGS: 3 11:31:59 -10.103693 0.000745 BFGS: 4 11:31:59 -10.103693 0.000002 BFGS: 5 11:31:59 -10.103693 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3999101442148644e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ti'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.9993803608849263, 4.6253458487868355e-33, 2.507561052180805e-35], [2.090109391250585e-32, 2.9993803608849263, 2.1770950929525517e-19], [-4.5920240938579604e-33, 2.1770950929527052e-19, 2.9993803608849263]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.39991014e-11 -1.39991014e-11 -1.39991014e-11 1.16417868e-28 4.56705370e-34 3.66338697e-52] energy per atom = -5.051846314183916 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0