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_Lee_2006_FeC__MO_856956178669_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 16:53:29      -38.527454         2.776293
BFGS:    1 16:53:29      -38.852077         2.644719
BFGS:    2 16:53:29      -39.227193         2.460996
BFGS:    3 16:53:29      -39.561519         2.257107
BFGS:    4 16:53:29      -39.850577         1.971985
BFGS:    5 16:53:29      -40.086627         1.705754
BFGS:    6 16:53:29      -40.279164         1.480212
BFGS:    7 16:53:29      -40.427473         1.227435
BFGS:    8 16:53:29      -40.530962         0.951474
BFGS:    9 16:53:29      -40.553633         2.034440
BFGS:   10 16:53:29      -40.570788         0.834503
BFGS:   11 16:53:29      -40.588864         0.787994
BFGS:   12 16:53:29      -40.556365         2.825294
BFGS:   13 16:53:29      -40.616402         1.658826
BFGS:   14 16:53:29      -40.632348         0.810254
BFGS:   15 16:53:29      -40.656869         0.760931
BFGS:   16 16:53:29      -40.681983         1.209742
BFGS:   17 16:53:29      -40.690610         0.076119
BFGS:   18 16:53:29      -40.691059         0.072659
BFGS:   19 16:53:29      -40.691766         0.040004
BFGS:   20 16:53:29      -40.692539         0.021553
BFGS:   21 16:53:29      -40.692701         0.006027
BFGS:   22 16:53:29      -40.692717         0.000865
BFGS:   23 16:53:29      -40.692717         0.000229
BFGS:   24 16:53:29      -40.692717         0.000039
BFGS:   25 16:53:29      -40.692717         0.000007
BFGS:   26 16:53:29      -40.692717         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.5985029396202587e-10 eV/Angstrom
Maximum stress component: 5.580908233457727e-10 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]
 [3.18746232e-01 3.33333344e-09 0.00000000e+00]
 [9.99999997e-01 3.18746239e-01 3.33444279e-33]
 [6.81253761e-01 6.81253768e-01 0.00000000e+00]
 [6.81253761e-01 3.33333344e-09 5.00000000e-01]
 [9.99999997e-01 6.81253768e-01 5.00000000e-01]
 [3.18746232e-01 3.18746239e-01 5.00000000e-01]]
cellpar =  Cell([[4.69373578497685, 2.1527276528623443e-17, -3.368330882814356e-40], [-2.346867892488425, 4.064894428442046, 5.0135020784056314e-39], [-7.744292447553955e-37, 1.8425613149986646e-36, 4.297748199265157]])
forces =  [[ 6.17117443e-31 -1.06887877e-30 -1.80817362e-29]
 [ 5.09097463e-67 -1.21127049e-66 -2.82527128e-30]
 [-1.59850294e-10 -7.32066014e-28 -6.78065107e-30]
 [ 7.99251470e-11 -1.38434415e-10 -4.52043405e-30]
 [ 7.99251470e-11  1.38434415e-10 -7.34570533e-30]
 [ 1.59850294e-10  7.34203772e-28 -1.13010851e-29]
 [-7.99251470e-11  1.38434415e-10 -9.04086809e-30]
 [-7.99251470e-11 -1.38434415e-10 -4.52043405e-30]]
stress =  [ 7.30660684e-11  7.30660684e-11 -5.58090823e-10 -7.52590870e-33
 -1.30352562e-32  8.00255259e-27]
energy per atom =  -5.086589626287864
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0