element(s): ['Pt'] 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: ['3.949'] model name: MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 16:38:28 -23.049506 0.621903 BFGS: 1 16:38:28 -23.063896 0.456997 BFGS: 2 16:38:28 -23.079933 0.030353 BFGS: 3 16:38:28 -23.080000 0.001345 BFGS: 4 16:38:28 -23.080000 0.000004 BFGS: 5 16:38:28 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.016691487968616e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.917371557709656, 7.291948308018233e-33, 7.261472941885342e-33], [2.9858115457100116e-32, 3.917371557709656, 3.6355762371155736e-20], [1.6889040508647858e-33, 3.6355762371161117e-20, 3.917371557709656]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.01669149e-11 -3.01669149e-11 -3.01669149e-11 -3.77194131e-27 -6.27510444e-36 -4.31292734e-52] energy per atom = -5.770000000774803 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0