element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 16:33:40 -17.794798 0.184836 BFGS: 1 16:33:40 -17.796157 0.158451 BFGS: 2 16:33:40 -17.799997 0.004164 BFGS: 3 16:33:40 -17.800000 0.000098 BFGS: 4 16:33:40 -17.800000 0.000000 BFGS: 5 16:33:40 -17.800000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.506281271746274e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.0000000e+00 0.0000000e+00 0.0000000e+00] [0.0000000e+00 5.0000000e-01 5.0000000e-01] [5.0000000e-01 0.0000000e+00 5.0000000e-01] [5.0000000e-01 5.0000000e-01 5.4692294e-35]] cellpar = Cell([[3.521391775416361, 3.495430832448429e-33, 2.7004573287464455e-32], [2.2157654642729728e-32, 3.521391775416361, -3.2591370353596746e-18], [-4.191931307288806e-33, -3.259137035359658e-18, 3.521391775416361]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-8.50628127e-14 -8.50628127e-14 -8.50628127e-14 1.21977833e-29 1.03542950e-35 -1.73801433e-52] energy per atom = -4.450000000003612 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0