element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:30:27      -88.010043        1.4170
BFGS:    1 14:30:27      -88.064746        1.2857
BFGS:    2 14:30:27      -88.177400        0.9692
BFGS:    3 14:30:27      -88.258951        0.6636
BFGS:    4 14:30:27      -88.310468        0.3685
BFGS:    5 14:30:27      -88.332993        0.0837
BFGS:    6 14:30:27      -88.334249        0.0019
BFGS:    7 14:30:28      -88.334249        0.0003
BFGS:    8 14:30:28      -88.334249        0.0002
BFGS:    9 14:30:28      -88.334249        0.0000
BFGS:   10 14:30:28      -88.334249        0.0000
BFGS:   11 14:30:28      -88.334249        0.0000
Minimization converged after 11 steps.
Maximum force component: 3.49834632734393e-10 eV/Angstrom
Maximum stress component: 4.363744205993843e-12 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 1.27364782e-34 2.50000000e-01]
 [1.01462812e-34 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.516185107784446, 1.0162093140216206e-18, 1.1680782501594583e-37], [-1.258092553892223, 2.1790802239654163, 1.7465171885806016e-37], [-7.982965275730236e-37, 1.3035165340931226e-36, 34.425999962871245]])
forces =  [[ 3.30820010e-31  5.72997066e-31 -1.74336024e-63]
 [-3.06008510e-30  1.28924340e-30  8.71714269e-64]
 [-1.65410005e-31  2.86498533e-31  1.74345984e-63]
 [ 8.27050026e-32 -1.43249267e-31 -8.71729921e-64]
 [-2.94765998e-31 -6.24473803e-32 -3.49834633e-10]
 [-3.30820010e-31 -5.72997066e-31 -3.49834633e-10]
 [ 2.89467509e-31  7.16246333e-32  3.49834633e-10]
 [ 3.30820010e-31  5.72997066e-31  3.49834633e-10]
 [-4.54877514e-31 -3.58123166e-31 -3.49834633e-10]
 [-1.98492006e-30  1.14599413e-30 -3.49834633e-10]
 [-1.53004255e-30  1.50411730e-30  3.49834633e-10]
 [-1.65410005e-31  2.86498533e-31  3.49834633e-10]]
stress =  [ 4.36374421e-12  4.36374421e-12  1.66319838e-22 -2.04032755e-43
 -8.83486020e-44 -1.01020369e-27]
energy per atom =  -7.361187457114767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0