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:
Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
==== 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 16:25:16      -43.819622         2.173932
BFGS:    1 16:25:16      -44.016033         2.042815
BFGS:    2 16:25:16      -44.307001         1.838052
BFGS:    3 16:25:16      -44.567829         1.640895
BFGS:    4 16:25:16      -44.799639         1.451115
BFGS:    5 16:25:17      -45.003521         1.268490
BFGS:    6 16:25:17      -45.180532         1.092802
BFGS:    7 16:25:17      -45.331698         0.923840
BFGS:    8 16:25:17      -45.458010         0.761399
BFGS:    9 16:25:17      -45.560434         0.605280
BFGS:   10 16:25:17      -45.639901         0.455288
BFGS:   11 16:25:17      -45.697317         0.311236
BFGS:   12 16:25:17      -45.733559         0.172939
BFGS:   13 16:25:17      -45.749478         0.040221
BFGS:   14 16:25:17      -45.750414         0.001075
BFGS:   15 16:25:17      -45.750415         0.000007
BFGS:   16 16:25:17      -45.750415         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.680309135348037e-31 eV/Angstrom
Maximum stress component: 1.8245393993070424e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 6.42480490e-34 0.00000000e+00]
 [3.14567428e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 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([[3.8614758083325427, 4.214357727601987e-34, 6.264646029047587e-34], [3.638318781929474e-33, 3.8614758083325427, -7.204189408899827e-18], [7.973822043794866e-33, -7.204189408899838e-18, 3.8614758083325427]])
forces =  [[ 2.53847275e-31 -1.42789092e-31  4.75963641e-32]
 [ 4.60098186e-31  3.80770913e-31 -2.69712730e-31]
 [-4.68030914e-31 -3.37140912e-32 -1.61470778e-32]
 [-3.96636367e-33  1.11058183e-31  1.58654547e-32]
 [ 1.90385456e-31  2.53847275e-31  2.61780002e-31]
 [-4.75963641e-32 -9.51927282e-32 -2.37981820e-31]
 [-1.58654547e-32 -3.01443639e-31  1.42789092e-31]
 [-1.26923638e-31  1.18990910e-31  1.74520002e-31]]
stress =  [-1.82453940e-10 -1.82453940e-10 -1.82453940e-10  6.81982108e-28
  6.88862553e-35  1.83938650e-51]
energy per atom =  -5.718801885242269
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0