element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:25      -31.885821         0.641555
BFGS:    1 15:30:25      -31.896170         0.488013
BFGS:    2 15:30:25      -31.910786         0.018343
BFGS:    3 15:30:25      -31.910807         0.000555
BFGS:    4 15:30:25      -31.910807         0.000001
BFGS:    5 15:30:25      -31.910807         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.829399912514537e-31 eV/Angstrom
Maximum stress component: 2.148575717105232e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[3.99741548e-36 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 3.05726489e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.492048939796472, -4.6506396464519464e-20, 2.2015151811163052e-42], [-1.246024469898236, 2.1581776893378213, -4.815989351869326e-37], [-2.5345837734189755e-38, -1.3170792923378401e-37, 8.333199999999998]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.91469996e-31  1.41875167e-31 -3.16599095e-68]
 [ 9.82939991e-31 -5.67500669e-31  1.26638770e-67]]
stress =  [-2.14857572e-12 -2.14857572e-12 -9.35284804e-54 -3.39586784e-50
 -6.53499874e-51 -1.33058337e-27]
energy per atom =  -7.977701861339542
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0