element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:32:01      -87.760937        0.5945
BFGS:    1 14:32:01      -87.775113        0.2843
BFGS:    2 14:32:01      -87.778850        0.2569
BFGS:    3 14:32:01      -87.782727        0.2161
BFGS:    4 14:32:01      -87.785344        0.1788
BFGS:    5 14:32:01      -87.788737        0.1295
BFGS:    6 14:32:01      -87.791093        0.0817
BFGS:    7 14:32:01      -87.791892        0.0382
BFGS:    8 14:32:01      -87.792016        0.0332
BFGS:    9 14:32:01      -87.792073        0.0284
BFGS:   10 14:32:01      -87.792201        0.0204
BFGS:   11 14:32:01      -87.792364        0.0264
BFGS:   12 14:32:01      -87.792487        0.0176
BFGS:   13 14:32:01      -87.792520        0.0050
BFGS:   14 14:32:01      -87.792523        0.0005
BFGS:   15 14:32:01      -87.792523        0.0000
BFGS:   16 14:32:01      -87.792523        0.0000
BFGS:   17 14:32:01      -87.792523        0.0000
BFGS:   18 14:32:01      -87.792523        0.0000
Minimization converged after 18 steps.
Maximum force component: 9.795972921722298e-10 eV/Angstrom
Maximum stress component: 8.455208033303994e-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 1.80830406e-35 1.87500000e-01]
 [7.70341014e-36 1.54341165e-35 6.87500000e-01]
 [0.00000000e+00 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 2.51530862e-35 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.5173811121210403, 2.1875481988054195e-18, 9.984131988023085e-37], [-1.2586905560605202, 2.180115994103942, 1.7791189841534342e-36], [5.4997668380140744e-36, 1.5196733684922317e-35, 12.332598425926326]])
forces =  [[ 3.30977257e-31 -3.57818032e-46 -2.90613311e-10]
 [ 4.13721571e-31 -4.29952069e-31 -2.90613311e-10]
 [-3.30977257e-31  3.57818032e-46  2.90613311e-10]
 [ 1.65488629e-31 -2.86634713e-31  2.90613311e-10]
 [ 5.79210200e-31 -4.29952069e-31 -4.03592715e-10]
 [ 4.96465886e-31  2.86634713e-31 -4.03592715e-10]
 [-5.79210200e-31  4.29952069e-31  4.03592715e-10]
 [ 7.44698829e-31 -1.43317356e-31  4.03592715e-10]
 [ 1.17393496e-30 -4.56824073e-31 -9.79597292e-10]
 [-4.13721571e-32 -2.14976035e-31 -9.79597292e-10]
 [ 4.36854953e-46  1.20709997e-45  9.79597292e-10]
 [ 1.32390903e-30 -5.73269426e-31  9.79597292e-10]]
stress =  [-3.92676819e-11 -3.92676819e-11  8.45520803e-11  7.33510358e-33
  1.27047721e-32 -8.24126189e-27]
energy per atom =  -7.31604362350567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0