element(s):
['C', 'Fe']
AFLOW prototype label:
AB3_hP8_182_c_g
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.998', '0.90814326', '0.31261232']
model name:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.31261232 0.         0.        ]]
spacegroup =  182
cell =  [[4.998, 0, 0], [-2.499, 4.3283949681146, 0], [0, 0, 4.5389]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:22:29      -36.712366         2.177611
BFGS:    1 11:22:29      -36.974771         2.125825
BFGS:    2 11:22:29      -37.373274         2.023788
BFGS:    3 11:22:29      -37.739955         1.897983
BFGS:    4 11:22:29      -38.070093         1.747868
BFGS:    5 11:22:29      -38.359114         1.573201
BFGS:    6 11:22:30      -38.602881         1.374186
BFGS:    7 11:22:30      -38.798068         1.151700
BFGS:    8 11:22:30      -38.942717         0.907726
BFGS:    9 11:22:30      -39.037212         0.646302
BFGS:   10 11:22:30      -39.086522         0.376382
BFGS:   11 11:22:30      -39.105642         0.341959
BFGS:   12 11:22:30      -39.126204         0.346626
BFGS:   13 11:22:30      -39.164599         0.340352
BFGS:   14 11:22:30      -39.187749         0.337634
BFGS:   15 11:22:30      -39.193191         0.247051
BFGS:   16 11:22:30      -39.194925         0.185170
BFGS:   17 11:22:30      -39.196272         0.152532
BFGS:   18 11:22:30      -39.201388         0.152036
BFGS:   19 11:22:30      -39.207778         0.169895
BFGS:   20 11:22:30      -39.214326         0.147537
BFGS:   21 11:22:30      -39.219823         0.078848
BFGS:   22 11:22:30      -39.221179         0.027247
BFGS:   23 11:22:30      -39.221319         0.007285
BFGS:   24 11:22:30      -39.221333         0.000226
BFGS:   25 11:22:30      -39.221333         0.000017
BFGS:   26 11:22:30      -39.221333         0.000000
BFGS:   27 11:22:30      -39.221333         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.2572387341354327e-10 eV/Angstrom
Maximum stress component: 9.20143508027296e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [3.33490226e-01 3.33333344e-09 2.26371282e-33]
 [9.99999997e-01 3.33490233e-01 6.31322951e-32]
 [6.66509767e-01 6.66509774e-01 4.86639300e-32]
 [6.66509767e-01 3.33333344e-09 5.00000000e-01]
 [9.99999997e-01 6.66509774e-01 5.00000000e-01]
 [3.33490226e-01 3.33490233e-01 5.00000000e-01]]
cellpar =  Cell([[4.5588932481611035, 2.4220277146122765e-17, 1.4185879244219234e-37], [-2.2794466240805518, 3.9481173660488715, 3.450017825162566e-37], [1.7353641499933822e-36, 1.3484425027683803e-36, 4.406740112464246]])
forces =  [[ 5.99388776e-31 -5.19085907e-31 -3.60341651e-68]
 [-8.99083164e-31  5.19085907e-31  6.51807186e-31]
 [-1.25723873e-10 -6.67939978e-28  2.89692083e-31]
 [ 6.28619367e-11 -1.08880068e-10  5.06961145e-31]
 [ 6.28619367e-11  1.08880068e-10  7.24230207e-32]
 [ 1.25723873e-10  6.67939978e-28  1.44846041e-31]
 [-6.28619367e-11  1.08880068e-10  9.51436195e-48]
 [-6.28619367e-11 -1.08880068e-10 -3.62115104e-31]]
stress =  [-3.18052379e-11 -3.18052379e-11 -9.20143508e-11  5.66764909e-33
 -3.27221873e-33 -7.30410569e-27]
energy per atom =  -4.90266660093842
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0