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 16:47:54      -88.010043         1.416973
BFGS:    1 16:47:54      -88.064746         1.285697
BFGS:    2 16:47:54      -88.177400         0.969219
BFGS:    3 16:47:54      -88.258951         0.663583
BFGS:    4 16:47:54      -88.310468         0.368498
BFGS:    5 16:47:54      -88.332993         0.083684
BFGS:    6 16:47:54      -88.334249         0.001911
BFGS:    7 16:47:54      -88.334249         0.000345
BFGS:    8 16:47:54      -88.334249         0.000185
BFGS:    9 16:47:54      -88.334249         0.000003
BFGS:   10 16:47:54      -88.334249         0.000000
BFGS:   11 16:47:54      -88.334249         0.000000
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 1.59162012e-35 2.50000000e-01]
 [2.20757868e-35 1.79269633e-35 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, 2.913871436195872e-38], [-1.258092553892223, 2.1790802239654163, 1.426182481911066e-37], [2.4782017910694133e-37, -6.952103297066144e-36, 34.425999962871245]])
forces =  [[ 3.30820010e-31  5.72997066e-31  4.51641177e-68]
 [-3.06008510e-30  1.28924340e-30  1.09022367e-64]
 [-1.65410005e-31  2.86498533e-31  1.87509934e-68]
 [ 8.27050026e-32 -1.43249267e-31 -5.44917780e-65]
 [-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 -1.91279672e-43
 -6.62615588e-44 -1.09491847e-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