element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:31:33     -115.405460        5.7063
BFGS:    1 16:31:33     -115.593369        5.9306
BFGS:    2 16:31:33     -116.561337        0.8564
BFGS:    3 16:31:33     -116.572298        1.0675
BFGS:    4 16:31:33     -116.574822        1.2990
BFGS:    5 16:31:33     -116.606768        0.3764
BFGS:    6 16:31:33     -116.614026        0.4229
BFGS:    7 16:31:33     -116.649040        0.4621
BFGS:    8 16:31:33     -116.675050        0.3782
BFGS:    9 16:31:33     -116.692634        0.2843
BFGS:   10 16:31:33     -116.699353        0.0935
BFGS:   11 16:31:33     -116.699699        0.0817
BFGS:   12 16:31:33     -116.699967        0.0726
BFGS:   13 16:31:33     -116.700122        0.0675
BFGS:   14 16:31:33     -116.700710        0.0826
BFGS:   15 16:31:33     -116.701138        0.0693
BFGS:   16 16:31:33     -116.701343        0.0243
BFGS:   17 16:31:33     -116.701375        0.0147
BFGS:   18 16:31:33     -116.701384        0.0152
BFGS:   19 16:31:33     -116.701399        0.0148
BFGS:   20 16:31:33     -116.701423        0.0157
BFGS:   21 16:31:33     -116.701448        0.0129
BFGS:   22 16:31:33     -116.701460        0.0050
BFGS:   23 16:31:33     -116.701461        0.0006
BFGS:   24 16:31:33     -116.701461        0.0000
BFGS:   25 16:31:33     -116.701461        0.0000
BFGS:   26 16:31:33     -116.701461        0.0000
BFGS:   27 16:31:33     -116.701461        0.0000
BFGS:   28 16:31:33     -116.701461        0.0000
Minimization converged after 28 steps.
Maximum force component: 4.166031467896784e-09 eV/Angstrom
Maximum stress component: 3.972130775315186e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.82869169e-01 1.67149770e-01 0.00000000e+00]
 [8.17130831e-01 8.32850230e-01 2.80645371e-35]
 [8.17130831e-01 1.67149770e-01 0.00000000e+00]
 [1.82869169e-01 8.32850230e-01 4.50097017e-35]
 [6.82869169e-01 6.67149770e-01 0.00000000e+00]
 [3.17130831e-01 3.32850230e-01 3.54687080e-35]
 [3.17130831e-01 6.67149770e-01 0.00000000e+00]
 [6.82869169e-01 3.32850230e-01 4.96058616e-35]
 [1.97300959e-01 4.10240369e-01 5.00000000e-01]
 [8.02699041e-01 5.89759631e-01 5.00000000e-01]
 [8.02699041e-01 4.10240369e-01 5.00000000e-01]
 [1.97300959e-01 5.89759631e-01 5.00000000e-01]
 [6.97300959e-01 9.10240369e-01 5.00000000e-01]
 [3.02699041e-01 8.97596313e-02 5.00000000e-01]
 [3.02699041e-01 9.10240369e-01 5.00000000e-01]
 [6.97300959e-01 8.97596313e-02 5.00000000e-01]]
cellpar =  Cell([[4.197166782280535, -2.4006758031117346e-36, 0.0], [8.004415620487491e-36, 8.729815954323628, 0.0], [0.0, 0.0, 2.55306461517149]])
forces =  [[ 2.37147661e-09  2.78831040e-09  0.00000000e+00]
 [-2.37147661e-09 -2.78831040e-09  0.00000000e+00]
 [-2.37147661e-09  2.78831040e-09  0.00000000e+00]
 [ 2.37147661e-09 -2.78831040e-09  0.00000000e+00]
 [ 2.37147661e-09  2.78831040e-09  0.00000000e+00]
 [-2.37147661e-09 -2.78831040e-09  0.00000000e+00]
 [-2.37147661e-09  2.78831040e-09  0.00000000e+00]
 [ 2.37147661e-09 -2.78831040e-09  0.00000000e+00]
 [-4.16603147e-09 -3.82457558e-09  0.00000000e+00]
 [ 4.16603147e-09  3.82457558e-09  0.00000000e+00]
 [ 4.16603147e-09 -3.82457558e-09  0.00000000e+00]
 [-4.16603147e-09  3.82457558e-09  0.00000000e+00]
 [-4.16603147e-09 -3.82457558e-09  0.00000000e+00]
 [ 4.16603147e-09  3.82457558e-09  0.00000000e+00]
 [ 4.16603147e-09 -3.82457558e-09  0.00000000e+00]
 [-4.16603147e-09  3.82457558e-09  0.00000000e+00]]
stress =  [ 3.97213078e-10 -3.05988591e-10 -1.67485486e-10  0.00000000e+00
  0.00000000e+00  5.38243913e-33]
energy per atom =  -7.293841327071729
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0