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:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== 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 13:22:27      -36.712366         2.177611
BFGS:    1 13:22:27      -36.974771         2.125825
BFGS:    2 13:22:27      -37.373274         2.023788
BFGS:    3 13:22:27      -37.739955         1.897983
BFGS:    4 13:22:28      -38.070093         1.747869
BFGS:    5 13:22:28      -38.359114         1.573201
BFGS:    6 13:22:28      -38.602881         1.374186
BFGS:    7 13:22:28      -38.798068         1.151700
BFGS:    8 13:22:28      -38.942717         0.907726
BFGS:    9 13:22:28      -39.037212         0.646302
BFGS:   10 13:22:28      -39.086522         0.376382
BFGS:   11 13:22:28      -39.105642         0.341959
BFGS:   12 13:22:28      -39.126204         0.346626
BFGS:   13 13:22:28      -39.164599         0.340352
BFGS:   14 13:22:28      -39.187749         0.337634
BFGS:   15 13:22:28      -39.193191         0.247051
BFGS:   16 13:22:28      -39.194925         0.185170
BFGS:   17 13:22:28      -39.196272         0.152532
BFGS:   18 13:22:28      -39.201388         0.152036
BFGS:   19 13:22:28      -39.207778         0.169895
BFGS:   20 13:22:28      -39.214326         0.147537
BFGS:   21 13:22:28      -39.219823         0.078848
BFGS:   22 13:22:28      -39.221179         0.027247
BFGS:   23 13:22:28      -39.221319         0.007285
BFGS:   24 13:22:28      -39.221333         0.000226
BFGS:   25 13:22:28      -39.221333         0.000017
BFGS:   26 13:22:29      -39.221333         0.000000
BFGS:   27 13:22:29      -39.221333         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.2572626737358254e-10 eV/Angstrom
Maximum stress component: 9.201593103342821e-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 7.88678389e-34]
 [9.99999997e-01 3.33490233e-01 0.00000000e+00]
 [6.66509767e-01 6.66509774e-01 1.06182968e-34]
 [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([[4.558893248161076, 4.1105072243496506e-17, -2.795872683317376e-38], [-2.279446624080538, 3.9481173660488453, 4.3101652856686905e-37], [-4.5887821614754616e-37, 5.5868226918003175e-36, 4.4067401124643215]])
forces =  [[ 5.24465179e-31 -3.89314430e-31 -5.79384166e-31]
 [-4.49541582e-31 -4.05327306e-48  1.12255682e-30]
 [-1.25726267e-10 -1.13360568e-27 -2.89692083e-31]
 [ 6.28631337e-11 -1.08882141e-10  5.06961145e-31]
 [ 6.28631337e-11  1.08882141e-10  2.89692083e-31]
 [ 1.25726267e-10  1.13334614e-27  2.17269062e-31]
 [-6.28631337e-11  1.08882141e-10  7.24230207e-32]
 [-6.28631337e-11 -1.08882141e-10  9.84500438e-32]]
stress =  [-3.18068527e-11 -3.18068527e-11 -9.20159310e-11  4.72304091e-33
  1.63610936e-33 -8.48844170e-27]
energy per atom =  -4.902666600938424
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0