element(s): ['C'] 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: ['3.5727'] model name: MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['C'] representative atom coordinates = [[0 0 0]] spacegroup = 227 cell = [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]] ========================================= Step Time Energy fmax BFGS: 0 16:26:00 -58.948466 0.210270 BFGS: 1 16:26:00 -58.950284 0.193200 BFGS: 2 16:26:00 -58.959996 0.003994 BFGS: 3 16:26:00 -58.960000 0.000074 BFGS: 4 16:26:00 -58.960000 0.000000 BFGS: 5 16:26:00 -58.960000 0.000000 Minimization converged after 5 steps. Maximum force component: 1.7900096796668489e-31 eV/Angstrom Maximum stress component: 3.147605846191783e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C'] basis = [[0.00000000e+00 1.92592993e-34 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 1.28395263e-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([[3.5564776670208342, 7.186393268264466e-40, 2.088499857977246e-34], [7.15961161411982e-39, 3.5564776670208342, 1.9742850832295263e-23], [7.146907216407823e-35, 1.974285083229978e-23, 3.5564776670208342]]) forces = [[ 5.66227552e-32 -1.69411630e-31 4.74900527e-32] [ 3.28777288e-32 -8.76739435e-32 1.31510915e-31] [ 6.21023766e-32 -5.11431337e-32 -2.92246478e-32] [-2.92246478e-32 1.46123239e-32 2.92246478e-32] [ 2.92246478e-32 1.02286267e-31 -1.46123239e-32] [-7.30616196e-32 -1.46123239e-32 1.46123239e-32] [ 3.28777288e-32 -1.79000968e-31 -5.84492957e-32] [ 1.16898591e-31 1.02286267e-31 8.76739435e-32]] stress = [-3.14760585e-14 -3.14760585e-14 -3.14760585e-14 -6.98987662e-30 9.73296713e-65 -3.28787796e-70] energy per atom = -7.370000000031979 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0