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_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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 17:47:38      -89.602121         0.507384
BFGS:    1 17:47:38      -89.612070         0.303558
BFGS:    2 17:47:38      -89.618197         0.298165
BFGS:    3 17:47:38      -89.621205         0.254981
BFGS:    4 17:47:38      -89.624238         0.224775
BFGS:    5 17:47:38      -89.631396         0.198668
BFGS:    6 17:47:38      -89.633595         0.084621
BFGS:    7 17:47:38      -89.633866         0.027927
BFGS:    8 17:47:38      -89.633900         0.024271
BFGS:    9 17:47:38      -89.633954         0.020771
BFGS:   10 17:47:38      -89.634039         0.031049
BFGS:   11 17:47:38      -89.634115         0.024747
BFGS:   12 17:47:38      -89.634143         0.008788
BFGS:   13 17:47:38      -89.634146         0.001029
BFGS:   14 17:47:38      -89.634146         0.000054
BFGS:   15 17:47:38      -89.634146         0.000006
BFGS:   16 17:47:38      -89.634146         0.000000
BFGS:   17 17:47:38      -89.634146         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.075758231967484e-09 eV/Angstrom
Maximum stress component: 1.6783069154777117e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.87849203e-36 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 5.23569470e-37 6.87500000e-01]
 [3.02323386e-36 2.40092932e-35 8.12500000e-01]
 [2.86290999e-35 2.76438523e-36 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([[2.516118973331026, -3.6626196799112e-19, 9.794882326680848e-38], [-1.258059486665513, 2.179022949848689, 1.8933320175059298e-37], [5.775866611935013e-37, 4.5530464631765284e-36, 12.32641523392106]])
forces =  [[-1.07513677e-30  4.29736504e-31  8.11046563e-10]
 [ 9.92433945e-31 -5.72982006e-31  8.11046563e-10]
 [ 5.37568387e-31 -3.58113753e-31 -8.11046563e-10]
 [-1.07513677e-30  7.16227507e-31 -8.11046563e-10]
 [ 3.30811315e-31  3.26347583e-47  8.84821105e-11]
 [ 9.09731117e-31  1.43245501e-31  8.84821105e-11]
 [-9.92433945e-31  5.72982006e-31 -8.84821105e-11]
 [-9.09731117e-31 -1.43245501e-31 -8.84821105e-11]
 [-5.78919802e-31  7.16227507e-31 -2.07575823e-09]
 [ 1.15783960e-30 -2.86491003e-31 -2.07575823e-09]
 [ 9.09731117e-31 -7.16227507e-31  2.07575823e-09]
 [ 3.30811315e-31  7.66681141e-46  2.07575823e-09]]
stress =  [-1.67830692e-10 -1.67830692e-10  2.97532601e-11  1.95799048e-32
 -8.83547970e-46 -5.01985791e-26]
energy per atom =  -7.4695121819965005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0