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:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== 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 14:30:29      -87.479060        2.4990
BFGS:    1 14:30:29      -87.648896        2.2593
BFGS:    2 14:30:29      -87.858437        1.9334
BFGS:    3 14:30:29      -88.035938        1.6185
BFGS:    4 14:30:29      -88.182494        1.3144
BFGS:    5 14:30:29      -88.299166        1.0208
BFGS:    6 14:30:29      -88.386988        0.7373
BFGS:    7 14:30:29      -88.446962        0.4638
BFGS:    8 14:30:29      -88.480066        0.1999
BFGS:    9 14:30:29      -88.487837        0.0062
BFGS:   10 14:30:29      -88.487845        0.0002
BFGS:   11 14:30:29      -88.487845        0.0002
BFGS:   12 14:30:29      -88.487845        0.0001
BFGS:   13 14:30:29      -88.487845        0.0000
BFGS:   14 14:30:29      -88.487845        0.0000
BFGS:   15 14:30:29      -88.487845        0.0000
BFGS:   16 14:30:29      -88.487845        0.0000
BFGS:   17 14:30:29      -88.487845        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.530769464521978e-10 eV/Angstrom
Maximum stress component: 1.3140767472435737e-11 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 2.50000000e-01]
 [1.06417666e-35 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([[2.5551607373103518, 3.559091392029303e-18, -4.8448968654166385e-39], [-1.2775803686551759, 2.2128341092633415, -5.748925603780345e-38], [-2.794472885921239e-36, -4.2722078159210004e-36, 34.42599998303582]])
forces =  [[ 6.71888804e-31 -5.81872773e-31 -7.36297850e-49]
 [-6.71888804e-31  5.81872773e-31 -1.44800172e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.71888804e-31 -1.16374555e-30 -5.53076946e-10]
 [-1.34377761e-30  1.16374555e-30 -5.53076946e-10]
 [-2.01566641e-30  1.16374555e-30  5.53076946e-10]
 [ 6.71888804e-31 -6.77000287e-47  5.53076946e-10]
 [ 1.67972201e-31 -2.90936386e-31 -5.53076946e-10]
 [ 4.48950947e-47  6.86359047e-47 -5.53076946e-10]
 [-1.67972201e-31  2.90936386e-31  5.53076946e-10]
 [-4.48950947e-47 -6.86359047e-47  5.53076946e-10]]
stress =  [-1.31407675e-11 -1.31407675e-11  7.78843013e-22  4.53046802e-33
  7.84700080e-33  6.10193882e-27]
energy per atom =  -7.37398706893956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0