element(s):
['B', 'C', 'N']
AFLOW prototype label:
A2BC_hR4_160_2a_a_a
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5848896', '5.0987512', '0.73227015', '0.22346081', '0.34499284', '0.8477762']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'B', 'C', 'N']
representative atom coordinates =  [[0.         0.         0.73227015]
 [0.         0.         0.22346081]
 [0.         0.         0.34499284]
 [0.         0.         0.8477762 ]]
spacegroup =  160
cell =  [[2.5849, 0, 0], [-1.29245, 2.2385890662424, 0], [0, 0, 13.1797]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:01:42      -77.131736         2.269073
BFGS:    1 17:01:42      -77.395929         1.161007
BFGS:    2 17:01:42      -77.462465         1.193842
BFGS:    3 17:01:42      -77.523205         1.108043
BFGS:    4 17:01:42      -77.578808         0.977274
BFGS:    5 17:01:42      -77.632045         0.837803
BFGS:    6 17:01:42      -77.682600         0.776142
BFGS:    7 17:01:42      -77.727733         0.660645
BFGS:    8 17:01:42      -77.763677         0.479506
BFGS:    9 17:01:42      -77.786381         0.237731
BFGS:   10 17:01:42      -77.792626         0.113189
BFGS:   11 17:01:42      -77.793130         0.106334
BFGS:   12 17:01:42      -77.797482         0.102237
BFGS:   13 17:01:42      -77.799228         0.094649
BFGS:   14 17:01:42      -77.801261         0.046576
BFGS:   15 17:01:42      -77.801544         0.012298
BFGS:   16 17:01:42      -77.801569         0.001975
BFGS:   17 17:01:42      -77.801570         0.001116
BFGS:   18 17:01:42      -77.801570         0.000400
BFGS:   19 17:01:42      -77.801570         0.000042
BFGS:   20 17:01:42      -77.801570         0.000007
BFGS:   21 17:01:42      -77.801570         0.000001
BFGS:   22 17:01:43      -77.801570         0.000000
BFGS:   23 17:01:43      -77.801570         0.000000
Minimization converged after 23 steps.
Maximum force component: 6.439891305406084e-09 eV/Angstrom
Maximum stress component: 1.6298517907587458e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'B', 'B', 'C', 'C', 'C', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 7.30945112e-01]
 [6.66666667e-01 3.33333333e-01 6.42784450e-02]
 [3.33333333e-01 6.66666667e-01 3.97611778e-01]
 [1.13330449e-16 5.48595864e-17 2.19435253e-01]
 [6.66666667e-01 3.33333333e-01 5.52768586e-01]
 [3.33333333e-01 6.66666667e-01 8.86101919e-01]
 [1.01275744e-16 3.07501757e-17 3.47819215e-01]
 [6.66666667e-01 3.33333333e-01 6.81152548e-01]
 [3.33333333e-01 6.66666667e-01 1.44858813e-02]
 [0.00000000e+00 1.00000000e+00 8.50300421e-01]
 [6.66666667e-01 3.33333333e-01 1.83633754e-01]
 [3.33333333e-01 6.66666667e-01 5.16967088e-01]]
cellpar =  Cell([[2.5529950251321, -5.931229409800442e-18, -8.563062460414055e-17], [-1.27649751256605, 2.2109585474996885, -3.3388498542187103e-16], [-4.516075802395141e-16, -1.8253038539197536e-15, 12.64889497778336]])
forces =  [[-1.64612812e-25 -6.65332277e-25  4.61058340e-09]
 [-1.64612812e-25 -6.65332277e-25  4.61058340e-09]
 [-1.64612923e-25 -6.65332277e-25  4.61058340e-09]
 [-8.90206860e-26 -3.59801342e-25  2.49333517e-09]
 [-8.90205181e-26 -3.59801536e-25  2.49333517e-09]
 [-8.90205741e-26 -3.59801342e-25  2.49333517e-09]
 [ 2.37078825e-26  9.58223270e-26 -6.64024539e-10]
 [ 2.37078825e-26  9.58223270e-26 -6.64024539e-10]
 [ 2.37078825e-26  9.58223270e-26 -6.64024539e-10]
 [ 2.29926189e-25  9.29310899e-25 -6.43989131e-09]
 [ 2.29925966e-25  9.29310706e-25 -6.43989131e-09]
 [ 2.29926105e-25  9.29310706e-25 -6.43989131e-09]]
stress =  [-4.74023977e-11 -4.74023977e-11  1.62985179e-10  6.92312423e-26
 -7.98880082e-26  6.04029531e-26]
energy per atom =  -6.483464175297985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0