element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:02:50      -43.983662         1.553372
BFGS:    1 16:02:50      -44.047094         1.307986
BFGS:    2 16:02:50      -44.149980         0.781087
BFGS:    3 16:02:50      -44.203203         0.286333
BFGS:    4 16:02:50      -44.212368         0.145998
BFGS:    5 16:02:50      -44.212902         0.002696
BFGS:    6 16:02:50      -44.212903         0.002037
BFGS:    7 16:02:50      -44.212903         0.002037
BFGS:    8 16:02:50      -44.212909         0.005943
BFGS:    9 16:02:50      -44.212919         0.011165
BFGS:   10 16:02:50      -44.212942         0.018414
BFGS:   11 16:02:50      -44.212977         0.021135
BFGS:   12 16:02:50      -44.213011         0.014227
BFGS:   13 16:02:50      -44.213022         0.004272
BFGS:   14 16:02:50      -44.213024         0.000657
BFGS:   15 16:02:50      -44.213024         0.000019
BFGS:   16 16:02:50      -44.213024         0.000013
BFGS:   17 16:02:50      -44.213024         0.000001
BFGS:   18 16:02:50      -44.213024         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.724266210557483e-09 eV/Angstrom
Maximum stress component: 4.383252269122493e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.02326706e-32 0.00000000e+00 3.33337342e-01]
 [0.00000000e+00 1.00000000e+00 6.66662658e-01]
 [6.66666667e-01 3.33333333e-01 6.66670675e-01]
 [6.66666667e-01 3.33333333e-01 9.99995991e-01]
 [3.33333333e-01 6.66666667e-01 4.00875917e-06]
 [3.33333333e-01 6.66666667e-01 3.33329325e-01]]
cellpar =  Cell([[2.5303737242357225, -6.95230327694375e-19, -2.379393528681729e-18], [-1.2651868621178612, 2.1913679262567776, -6.697481144461208e-18], [-1.233975818070199e-17, 4.086957341245137e-16, 12.711205373539947]])
forces =  [[ 8.47165426e-27 -2.80509153e-25 -8.72426621e-09]
 [-8.46400250e-27  2.80503006e-25  8.72426621e-09]
 [ 8.46755114e-27 -2.80509153e-25 -8.72426621e-09]
 [-8.46411339e-27  2.80503774e-25  8.72426621e-09]
 [ 8.46233907e-27 -2.80504543e-25 -8.72426621e-09]
 [-8.46588771e-27  2.80504543e-25  8.72426621e-09]]
stress =  [ 4.38325227e-10  4.38325227e-10 -3.85269526e-11 -1.53741254e-25
 -4.79381788e-26 -2.34413036e-26]
energy per atom =  -7.368837269381781
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0