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 15:54:27      -43.983662        1.5534
BFGS:    1 15:54:27      -44.047094        1.3080
BFGS:    2 15:54:27      -44.149980        0.7811
BFGS:    3 15:54:27      -44.203203        0.2863
BFGS:    4 15:54:27      -44.212368        0.1460
BFGS:    5 15:54:27      -44.212902        0.0027
BFGS:    6 15:54:27      -44.212903        0.0020
BFGS:    7 15:54:27      -44.212903        0.0020
BFGS:    8 15:54:27      -44.212909        0.0059
BFGS:    9 15:54:27      -44.212919        0.0112
BFGS:   10 15:54:27      -44.212942        0.0184
BFGS:   11 15:54:27      -44.212977        0.0211
BFGS:   12 15:54:27      -44.213011        0.0142
BFGS:   13 15:54:27      -44.213022        0.0043
BFGS:   14 15:54:27      -44.213024        0.0007
BFGS:   15 15:54:27      -44.213024        0.0000
BFGS:   16 15:54:27      -44.213024        0.0000
BFGS:   17 15:54:27      -44.213024        0.0000
BFGS:   18 15:54:27      -44.213024        0.0000
Minimization converged after 18 steps.
Maximum force component: 8.724528580260818e-09 eV/Angstrom
Maximum stress component: 4.383269874123961e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.56278943e-32 1.46244151e-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([[2.53037372423572, -7.92395744963629e-18, -2.3794352867790392e-18], [-1.26518686211786, 2.1913679262567736, -6.697564660602685e-18], [-1.2339968375364829e-17, 4.086951273444311e-16, 12.711205373538254]])
forces =  [[ 8.46905907e-27 -2.80513715e-25 -8.72452858e-09]
 [-8.46817190e-27  2.80512946e-25  8.72452858e-09]
 [ 8.46861548e-27 -2.80513715e-25 -8.72452858e-09]
 [-8.46750653e-27  2.80512562e-25  8.72452858e-09]
 [ 8.46983533e-27 -2.80514099e-25 -8.72452858e-09]
 [-8.46817190e-27  2.80512562e-25  8.72452858e-09]]
stress =  [ 4.38326987e-10  4.38326987e-10 -3.85270824e-11 -1.53743198e-25
 -4.79388308e-26  2.53181949e-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