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_Wagner_2007_SiC__MO_430846853065_002 ==== 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 15:38:47 -13.933124 6.165761 BFGS: 1 15:38:47 -14.761598 4.905666 BFGS: 2 15:38:47 -15.411988 3.788902 BFGS: 3 15:38:47 -15.904748 2.801770 BFGS: 4 15:38:47 -16.258374 1.931774 BFGS: 5 15:38:47 -16.489566 1.167521 BFGS: 6 15:38:47 -16.613396 0.498626 BFGS: 7 15:38:47 -16.643998 0.056373 BFGS: 8 15:38:47 -16.644422 0.003242 BFGS: 9 15:38:47 -16.644423 0.000023 BFGS: 10 15:38:47 -16.644423 0.000000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.570228497889421e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.62949436e-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([[4.199018917777665, -5.904026665563305e-33, 9.447050680301088e-33], [7.127547316391401e-33, 4.199018917777665, 1.3825373700992407e-17], [-1.2078680841462062e-33, 1.3825373700992411e-17, 4.199018917777665]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.57022850e-10 -5.57022850e-10 -5.57022850e-10 2.69355763e-25 -2.91281938e-35 7.31660582e-51] energy per atom = -4.1611058530708425 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0