element(s): ['Si'] AFLOW prototype label: A_cF8_227_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.4673'] model name: MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]] ========================================= Step Time Energy fmax BFGS: 0 15:42:14 -37.020798 0.238397 BFGS: 1 15:42:14 -37.023158 0.223578 BFGS: 2 15:42:14 -37.039999 0.001344 BFGS: 3 15:42:14 -37.040000 0.000042 BFGS: 4 15:42:14 -37.040000 0.000000 Minimization converged after 4 steps. Maximum force component: 4.239675414268998e-31 eV/Angstrom Maximum stress component: 3.6633243657439923e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.41475318e-33 8.35385138e-34 1.26952210e-33] [1.47306787e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.51204224e-34] [5.00000000e-01 1.08953240e-33 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01]] cellpar = Cell([[5.431000000341184, 9.459104952243878e-35, -1.3715568004217645e-33], [2.7540083824357067e-38, 5.431000000341184, -1.1538172218889214e-21], [8.273400945363239e-36, -1.153817221889347e-21, 5.431000000341184]]) forces = [[-4.01653460e-31 4.23967541e-31 -1.11570406e-32] [-5.57852028e-32 -8.92563245e-32 -1.89669690e-31] [-2.11983771e-31 -2.45454892e-31 -4.46281623e-32] [ 7.80992839e-32 -2.00826730e-31 -4.46281623e-32] [ 1.20635501e-31 -3.49529161e-32 1.38765692e-31] [-2.48244153e-31 -2.00216579e-31 -2.34297852e-31] [ 1.11570406e-32 1.11570406e-32 1.56198568e-31] [-2.27673359e-31 1.33012843e-31 1.95248210e-32]] stress = [ 3.66332437e-10 3.66332437e-10 3.66332437e-10 8.28755579e-26 -1.74120382e-35 -1.98056628e-51] energy per atom = -4.6299999999359995 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0