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:
Tersoff_LAMMPS_Tersoff_1990_SiC__MO_444207127575_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 17:47:42      -89.639822         0.499658
BFGS:    1 17:47:42      -89.650086         0.327316
BFGS:    2 17:47:42      -89.656933         0.317220
BFGS:    3 17:47:42      -89.660682         0.268822
BFGS:    4 17:47:42      -89.664588         0.231718
BFGS:    5 17:47:43      -89.672653         0.211926
BFGS:    6 17:47:43      -89.675267         0.088388
BFGS:    7 17:47:43      -89.675579         0.027465
BFGS:    8 17:47:43      -89.675614         0.023583
BFGS:    9 17:47:43      -89.675664         0.018533
BFGS:   10 17:47:43      -89.675749         0.028794
BFGS:   11 17:47:43      -89.675827         0.023992
BFGS:   12 17:47:43      -89.675858         0.009035
BFGS:   13 17:47:43      -89.675862         0.001163
BFGS:   14 17:47:43      -89.675862         0.000065
BFGS:   15 17:47:43      -89.675862         0.000007
BFGS:   16 17:47:44      -89.675862         0.000000
BFGS:   17 17:47:44      -89.675862         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.7957261197926464e-09 eV/Angstrom
Maximum stress component: 2.3188234491011993e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 3.84810167e-35 6.87500000e-01]
 [0.00000000e+00 5.26881213e-35 8.12500000e-01]
 [6.33298490e-36 1.21493892e-35 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([[2.5146790937291716, 9.65959899235175e-19, 1.6111548030755043e-36], [-1.2573395468645858, 2.177775977535092, 3.240957833657946e-36], [1.1130396274285681e-35, 3.215820936312845e-35, 12.319361293384548]])
forces =  [[-8.26555011e-32  4.29490582e-31  1.18163636e-09]
 [-3.30622004e-31  2.86327055e-31  1.18163636e-09]
 [-1.65311002e-31 -2.86327055e-31 -1.18163636e-09]
 [ 1.65311002e-31 -2.86327055e-31 -1.18163636e-09]
 [-4.75269131e-31  3.93699700e-31 -2.33362685e-10]
 [ 3.30622004e-31 -5.72654110e-31 -2.33362685e-10]
 [ 4.75269131e-31 -3.93699700e-31  2.33362685e-10]
 [-3.30622004e-31  5.72654110e-31  2.33362685e-10]
 [ 3.30622004e-31 -7.29777942e-45 -2.79572612e-09]
 [ 2.06638753e-31 -2.86327055e-31 -2.79572612e-09]
 [ 2.89294254e-31  7.15817637e-32  2.79572612e-09]
 [-1.65311002e-31  2.86327055e-31  2.79572612e-09]]
stress =  [-2.31882345e-10 -2.31882345e-10  2.05887851e-11 -1.22514586e-33
  4.24402975e-33  8.76556547e-26]
energy per atom =  -7.4729885104564175
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0