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 14:56:56 -8.790122 0.655901 BFGS: 1 14:56:56 -8.801471 0.555534 BFGS: 2 14:56:57 -8.831512 0.643444 BFGS: 3 14:56:57 -8.836791 0.611682 BFGS: 4 14:56:57 -8.856519 0.249570 BFGS: 5 14:56:57 -8.859288 0.016275 BFGS: 6 14:56:57 -8.859323 0.004940 BFGS: 7 14:56:57 -8.859325 0.000174 BFGS: 8 14:56:57 -8.859325 0.000006 BFGS: 9 14:56:57 -8.859325 0.000000 BFGS: 10 14:56:57 -8.859325 0.000000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.975324326237372e-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, 4.751408400560801e-36, 2.99767226899199e-32], [-2.2830162978318482e-35, 2.489395607292022, -1.2446557857906893e-17], [5.020524607544834e-33, -1.766639055909525e-17, 3.7145703198771782]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.97532433e-12 -9.97532433e-12 -1.46862558e-12 9.63076090e-28 -1.33296258e-33 5.21441812e-49] 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