element(s): ['Si'] 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: ['3.868'] model name: MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]] ========================================= Step Time Energy fmax BFGS: 0 23:59:40 -15.890540 2.167395 BFGS: 1 23:59:40 -16.060930 1.512697 BFGS: 2 23:59:40 -16.216727 0.591004 BFGS: 3 23:59:40 -16.248484 0.078992 BFGS: 4 23:59:40 -16.249106 0.005046 BFGS: 5 23:59:40 -16.249108 0.000047 BFGS: 6 23:59:40 -16.249108 0.000000 BFGS: 7 23:59:40 -16.249108 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1704567360075745e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [3.43625291e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.9824063227254487, -1.2208492788090738e-32, -1.553922127530981e-32], [-1.2887258469405478e-32, 3.9824063227254487, -8.538888735288857e-18], [-2.964320688986864e-33, -8.538888735288879e-18, 3.9824063227254487]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.17045674e-14 -1.17045674e-14 -1.17045674e-14 4.00957762e-30 -1.29532298e-34 1.61338572e-50] energy per atom = -4.0622770693401575 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0