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 16:52:55      -36.712366         2.177611
BFGS:    1 16:52:55      -36.974771         2.125825
BFGS:    2 16:52:55      -37.373274         2.023788
BFGS:    3 16:52:55      -37.739955         1.897983
BFGS:    4 16:52:55      -38.070093         1.747868
BFGS:    5 16:52:55      -38.359114         1.573201
BFGS:    6 16:52:55      -38.602881         1.374186
BFGS:    7 16:52:55      -38.798068         1.151700
BFGS:    8 16:52:55      -38.942717         0.907726
BFGS:    9 16:52:55      -39.037212         0.646302
BFGS:   10 16:52:55      -39.086522         0.376382
BFGS:   11 16:52:55      -39.105642         0.341959
BFGS:   12 16:52:55      -39.126204         0.346626
BFGS:   13 16:52:55      -39.164599         0.340352
BFGS:   14 16:52:55      -39.187749         0.337634
BFGS:   15 16:52:55      -39.193191         0.247051
BFGS:   16 16:52:55      -39.194925         0.185170
BFGS:   17 16:52:55      -39.196272         0.152532
BFGS:   18 16:52:55      -39.201388         0.152036
BFGS:   19 16:52:55      -39.207778         0.169895
BFGS:   20 16:52:55      -39.214326         0.147537
BFGS:   21 16:52:55      -39.219823         0.078848
BFGS:   22 16:52:55      -39.221179         0.027247
BFGS:   23 16:52:55      -39.221319         0.007285
BFGS:   24 16:52:55      -39.221333         0.000226
BFGS:   25 16:52:55      -39.221333         0.000017
BFGS:   26 16:52:55      -39.221333         0.000000
BFGS:   27 16:52:55      -39.221333         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.2572478018981383e-10 eV/Angstrom
Maximum stress component: 9.201624883228394e-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 8.73274753e-34]
 [9.99999997e-01 3.33490233e-01 5.70460753e-33]
 [6.66509767e-01 6.66509774e-01 3.76521827e-33]
 [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([[4.5588932481611, 5.236859507860243e-18, -6.323428921951131e-38], [-2.27944662408055, 3.948117366048867, -2.733189812388889e-37], [1.2107702031705571e-36, -4.8941955924441766e-36, 4.406740112464246]])
forces =  [[-7.49235970e-32  1.29771477e-31 -8.98377746e-69]
 [ 1.98985266e-68 -8.04341576e-68  7.24230207e-32]
 [-1.25724780e-10 -1.44681220e-28 -1.26740286e-31]
 [ 6.28623901e-11 -1.08880854e-10 -3.62115104e-32]
 [ 6.28623901e-11  1.08880854e-10 -9.28143820e-48]
 [ 1.25724780e-10  1.44421678e-28  1.44846041e-31]
 [-6.28623901e-11  1.08880854e-10 -7.53756821e-48]
 [-6.28623901e-11 -1.08880854e-10 -2.89692083e-31]]
stress =  [-3.18076833e-11 -3.18076833e-11 -9.20162488e-11 -1.88921636e-33
  7.18439154e-47  3.98834339e-27]
energy per atom =  -4.902666600938421
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0