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_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 15:24:07      -58.988793         0.149146
BFGS:    1 15:24:07      -58.989707         0.136731
BFGS:    2 15:24:07      -58.994512         0.000304
BFGS:    3 15:24:07      -58.994512         0.000001
BFGS:    4 15:24:07      -58.994512         0.000000
Minimization converged after 4 steps.
Maximum force component: 4.096989234776058e-31 eV/Angstrom
Maximum stress component: 5.179613031525388e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.20988324e-34 8.98767307e-34 0.00000000e+00]
 [4.49383654e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.85105797e-34]
 [5.00000000e-01 1.41232598e-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([[3.5612920200634037, -2.902447477818087e-38, 9.375279358093964e-35], [2.3509614370152963e-40, 3.5612920200634037, -1.1295773366581802e-21], [-1.5370858202905658e-36, -1.1295773366582163e-21, 3.5612920200634037]])
forces =  [[-3.21906297e-31 -3.51170506e-31 -2.78009984e-31]
 [-2.63377879e-31 -2.78009984e-31 -5.85284176e-32]
 [-2.34113671e-31  3.80434715e-31 -4.09698923e-31]
 [-2.78009984e-31 -1.75585253e-31 -5.85284176e-32]
 [-1.46321044e-31 -5.85284176e-32 -1.02424731e-31]
 [-1.02424731e-31  1.46321044e-31 -1.75585253e-31]
 [-2.04849462e-31  3.80434715e-31 -8.04765743e-32]
 [-2.92642088e-31 -1.02424731e-31 -5.85284176e-32]]
stress =  [ 5.17961303e-13  5.17961303e-13  5.17961303e-13 -4.60125006e-28
 -6.47909022e-34  2.87777168e-49]
energy per atom =  -7.374314033582735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0