element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:54:37      -58.653821         1.554468
BFGS:    1 16:54:37      -58.718036         1.423600
BFGS:    2 16:54:37      -58.801886         2.233236
BFGS:    3 16:54:37      -58.901778         1.085148
BFGS:    4 16:54:37      -58.948062         0.436336
BFGS:    5 16:54:37      -58.956949         0.039896
BFGS:    6 16:54:37      -58.956976         0.006144
BFGS:    7 16:54:37      -58.956976         0.006142
BFGS:    8 16:54:37      -58.956979         0.010647
BFGS:    9 16:54:37      -58.956984         0.022046
BFGS:   10 16:54:37      -58.956997         0.037178
BFGS:   11 16:54:37      -58.957019         0.046807
BFGS:   12 16:54:38      -58.957049         0.039765
BFGS:   13 16:54:38      -58.957080         0.029942
BFGS:   14 16:54:38      -58.957111         0.019298
BFGS:   15 16:54:38      -58.957160         0.058046
BFGS:   16 16:54:38      -58.957253         0.102702
BFGS:   17 16:54:38      -58.957409         0.132846
BFGS:   18 16:54:38      -58.957557         0.120216
BFGS:   19 16:54:38      -58.957677         0.072301
BFGS:   20 16:54:38      -58.957719         0.014203
BFGS:   21 16:54:38      -58.957721         0.002946
BFGS:   22 16:54:38      -58.957721         0.000187
BFGS:   23 16:54:38      -58.957721         0.000191
BFGS:   24 16:54:38      -58.957721         0.000178
BFGS:   25 16:54:38      -58.957721         0.000174
BFGS:   26 16:54:38      -58.957721         0.000178
BFGS:   27 16:54:38      -58.957722         0.000366
BFGS:   28 16:54:38      -58.957722         0.000653
BFGS:   29 16:54:38      -58.957722         0.001013
BFGS:   30 16:54:38      -58.957723         0.001267
BFGS:   31 16:54:38      -58.957724         0.001063
BFGS:   32 16:54:38      -58.957725         0.000451
BFGS:   33 16:54:38      -58.957725         0.000070
BFGS:   34 16:54:38      -58.957725         0.000002
BFGS:   35 16:54:38      -58.957725         0.000001
BFGS:   36 16:54:38      -58.957725         0.000000
BFGS:   37 16:54:38      -58.957725         0.000000
BFGS:   38 16:54:38      -58.957725         0.000000
Minimization converged after 38 steps.
Maximum force component: 2.7332754764760377e-09 eV/Angstrom
Maximum stress component: 7.901394714721281e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.08938476e-33 4.16672731e-01 2.50000000e-01]
 [6.96099906e-34 8.33272692e-02 2.50000000e-01]
 [0.00000000e+00 9.16672731e-01 7.50000000e-01]
 [0.00000000e+00 5.83327269e-01 7.50000000e-01]
 [5.00000000e-01 9.16672731e-01 2.50000000e-01]
 [5.00000000e-01 5.83327269e-01 2.50000000e-01]
 [5.00000000e-01 4.16672731e-01 7.50000000e-01]
 [5.00000000e-01 8.33272692e-02 7.50000000e-01]]
cellpar =  Cell([[2.530375714105647, -2.268733346570517e-37, 0.0], [-6.858761219809651e-36, 4.382488537371447, 0.0], [0.0, 0.0, 8.50332225759352]])
forces =  [[ 4.27768006e-45 -2.73327548e-09 -1.03072203e-11]
 [-4.27768006e-45  2.73327548e-09 -1.03072203e-11]
 [ 4.27768006e-45 -2.73327548e-09  1.03072203e-11]
 [-4.27768006e-45  2.73327548e-09  1.03072203e-11]
 [ 4.27768006e-45 -2.73327548e-09 -1.03072203e-11]
 [-4.27768006e-45  2.73327548e-09 -1.03072203e-11]
 [ 4.27768006e-45 -2.73327548e-09  1.03072203e-11]
 [-4.27768006e-45  2.73327548e-09  1.03072203e-11]]
stress =  [ 7.90139471e-11 -6.27642481e-11 -4.80194465e-12  0.00000000e+00
  0.00000000e+00  8.89210633e-33]
energy per atom =  -7.3697156176909235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC8_67_m, while relaxed is A_oF8_69_g. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.