element(s): ['Fe', 'Ni'] AFLOW prototype label: AB_tP2_123_a_d 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: ['2.5968', '1.3704174'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Fe', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 123 cell = [[2.5968, 0, 0], [0, 2.5968, 0], [0, 0, 3.5587]] ========================================= Step Time Energy fmax BFGS: 0 16:33:12 -8.790122 0.6559 BFGS: 1 16:33:12 -8.801471 0.5555 BFGS: 2 16:33:12 -8.831512 0.6434 BFGS: 3 16:33:12 -8.836791 0.6117 BFGS: 4 16:33:12 -8.856519 0.2496 BFGS: 5 16:33:12 -8.859288 0.0163 BFGS: 6 16:33:12 -8.859323 0.0049 BFGS: 7 16:33:12 -8.859325 0.0002 BFGS: 8 16:33:12 -8.859325 0.0000 BFGS: 9 16:33:12 -8.859325 0.0000 BFGS: 10 16:33:12 -8.859325 0.0000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.974914374497933e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Fe', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.489395607292023, 4.7827347603073084e-35, -1.3275339851949204e-32], [1.2518238675513516e-34, 2.489395607292023, 5.443979660197804e-18], [3.114197869316422e-34, 7.760832899354125e-18, 3.714570319877178]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.97491437e-12 -9.97491437e-12 -1.46849536e-12 2.16427951e-28 -3.33240644e-34 -3.64168432e-50] energy per atom = -4.429662451081102 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0