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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 16:02:23      -43.983662         1.553372
BFGS:    1 16:02:23      -44.047094         1.307986
BFGS:    2 16:02:23      -44.149980         0.781087
BFGS:    3 16:02:24      -44.203203         0.286333
BFGS:    4 16:02:24      -44.212368         0.145998
BFGS:    5 16:02:24      -44.212902         0.002696
BFGS:    6 16:02:24      -44.212903         0.002037
BFGS:    7 16:02:24      -44.212903         0.002037
BFGS:    8 16:02:24      -44.212909         0.005943
BFGS:    9 16:02:24      -44.212919         0.011165
BFGS:   10 16:02:24      -44.212942         0.018414
BFGS:   11 16:02:24      -44.212977         0.021135
BFGS:   12 16:02:24      -44.213011         0.014227
BFGS:   13 16:02:24      -44.213022         0.004272
BFGS:   14 16:02:24      -44.213024         0.000657
BFGS:   15 16:02:24      -44.213024         0.000019
BFGS:   16 16:02:24      -44.213024         0.000013
BFGS:   17 16:02:24      -44.213024         0.000001
BFGS:   18 16:02:25      -44.213024         0.000000
Minimization converged after 18 steps.
Maximum force component: 8.72437614630606e-09 eV/Angstrom
Maximum stress component: 4.3832799488724757e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.22108316e-31 1.91242352e-31 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([[2.5303737242357207, -1.3935192272776124e-17, -2.3794352815483387e-18], [-1.2651868621178604, 2.1913679262567736, -6.697564650141009e-18], [-1.2339968349164582e-17, 4.0869512742006295e-16, 12.711205373538254]])
forces =  [[ 8.46735853e-27 -2.80506893e-25 -8.72437615e-09]
 [-8.46735853e-27  2.80506893e-25  8.72437615e-09]
 [ 8.46735853e-27 -2.80506893e-25 -8.72437615e-09]
 [-8.46691495e-27  2.80509198e-25  8.72437615e-09]
 [ 8.46691495e-27 -2.80509198e-25 -8.72437615e-09]
 [-8.46691495e-27  2.80509198e-25  8.72437615e-09]]
stress =  [ 4.38327995e-10  4.38327995e-10 -3.85270878e-11 -1.53743250e-25
 -4.79388366e-26 -1.43225301e-25]
energy per atom =  -7.3688372693817845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0