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:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_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 15:23:30      -29.336221        1.4201
BFGS:    1 15:23:30      -29.385887        1.0308
BFGS:    2 15:23:30      -29.443598        0.1391
BFGS:    3 15:23:30      -29.444746        0.0083
BFGS:    4 15:23:30      -29.444750        0.0001
BFGS:    5 15:23:30      -29.444750        0.0000
BFGS:    6 15:23:30      -29.444750        0.0000
Minimization converged after 6 steps.
Maximum force component: 5.996112686773559e-31 eV/Angstrom
Maximum stress component: 1.8816893601819817e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 6.01951065e-36 2.50000000e-01]
 [7.60973530e-36 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.5161851077819377, 3.1253033000329484e-18, -1.0290000336648174e-45], [-1.2580925538909689, 2.1790802239632447, 1.8550793508836617e-42], [3.114871944038536e-39, -4.869451060596146e-38, 8.333199999999998]])
forces =  [[ 5.78935018e-31 -2.86498533e-31 -2.44069041e-73]
 [-5.99611269e-31  2.14873900e-31  1.83119426e-73]
 [-5.78935018e-31  2.86498533e-31  2.44069041e-73]
 [ 5.37582517e-31 -2.14873900e-31 -3.86371290e-68]]
stress =  [-1.88168936e-14 -1.88168936e-14 -1.26811898e-90 -1.09955290e-52
  7.03357821e-54  4.60217083e-30]
energy per atom =  -7.3611874571147675
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0