element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:32:00      -88.464401        0.5251
BFGS:    1 14:32:00      -88.473912        0.3347
BFGS:    2 14:32:00      -88.479589        0.2766
BFGS:    3 14:32:00      -88.481355        0.2405
BFGS:    4 14:32:00      -88.483595        0.2149
BFGS:    5 14:32:00      -88.490377        0.1562
BFGS:    6 14:32:00      -88.491494        0.0581
BFGS:    7 14:32:00      -88.491611        0.0221
BFGS:    8 14:32:00      -88.491629        0.0199
BFGS:    9 14:32:00      -88.491678        0.0217
BFGS:   10 14:32:00      -88.491728        0.0257
BFGS:   11 14:32:00      -88.491761        0.0146
BFGS:   12 14:32:00      -88.491768        0.0034
BFGS:   13 14:32:00      -88.491768        0.0002
BFGS:   14 14:32:00      -88.491768        0.0000
BFGS:   15 14:32:00      -88.491768        0.0000
BFGS:   16 14:32:00      -88.491768        0.0000
BFGS:   17 14:32:00      -88.491768        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.097831388290003e-10 eV/Angstrom
Maximum stress component: 2.08615408789676e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.22055805e-35 1.84199971e-35 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [1.37123577e-35 2.29753468e-35 8.12500000e-01]
 [0.00000000e+00 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.5182137371668922, 2.0290719798334776e-19, -7.490529302215695e-38], [-1.2591068685834461, 2.1808370685454763, -1.7192245858708063e-37], [-2.6449764451019377e-37, -6.862125206493317e-38, 12.336677438664388]])
forces =  [[-9.10488502e-31  4.30094276e-31  2.20949860e-10]
 [ 8.27716820e-31 -4.30094276e-31  2.20949860e-10]
 [ 6.00094695e-31 -4.65935466e-31 -2.20949860e-10]
 [-4.55244251e-31  2.15047138e-31 -2.20949860e-10]
 [ 3.10393808e-31 -5.01776655e-31  2.58472362e-10]
 [-4.96630092e-31  2.86729517e-31  2.58472362e-10]
 [-6.82866377e-31  5.01776655e-31 -2.58472362e-10]
 [ 3.31086728e-31  1.46439834e-48 -2.58472362e-10]
 [-2.48315046e-31  1.43364759e-31 -6.09783139e-10]
 [ 1.24157523e-31 -2.15047138e-31 -6.09783139e-10]
 [ 4.13858410e-32 -7.16823793e-32  6.09783139e-10]
 [ 1.24157523e-31 -2.15047138e-31  6.09783139e-10]]
stress =  [-2.08615409e-11 -2.08615409e-11 -2.22759910e-12 -4.27598139e-33
 -1.05803100e-33  2.92616252e-27]
energy per atom =  -7.374314033582723
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0