element(s): ['Mn', 'Ni'] 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: ['2.9926'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mn', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.9926, 0, 0], [0, 2.9926, 0], [0, 0, 2.9926]] ========================================= Step Time Energy fmax BFGS: 0 11:31:15 -7.256200 1.275759 BFGS: 1 11:31:15 -7.320452 1.070477 BFGS: 2 11:31:15 -7.431145 0.369490 BFGS: 3 11:31:15 -7.442507 0.093928 BFGS: 4 11:31:15 -7.443209 0.005819 BFGS: 5 11:31:16 -7.443212 0.000084 BFGS: 6 11:31:16 -7.443212 0.000000 BFGS: 7 11:31:16 -7.443212 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.216179233510828e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mn', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.858599537017715, 2.273526899007815e-32, -4.7166945057096224e-33], [2.803216903982166e-32, 2.858599537017715, -7.396767883806704e-18], [-4.786424327757499e-33, -7.396767883806704e-18, 2.858599537017715]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 8.21617923e-14 8.21617923e-14 8.21617923e-14 -3.81542526e-30 -1.25699218e-34 1.97168326e-51] energy per atom = -3.7216059040691993 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0