element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:10      -66.510072         7.157649
BFGS:    1 15:04:10      -67.562195         6.871808
BFGS:    2 15:04:10      -68.571954         6.592762
BFGS:    3 15:04:10      -69.540357         6.320373
BFGS:    4 15:04:10      -70.468392         6.054504
BFGS:    5 15:04:10      -71.357027         5.795022
BFGS:    6 15:04:10      -72.207211         5.541797
BFGS:    7 15:04:10      -73.019872         5.294699
BFGS:    8 15:04:10      -73.795921         5.053603
BFGS:    9 15:04:10      -74.536247         4.818385
BFGS:   10 15:04:10      -75.241724         4.588924
BFGS:   11 15:04:10      -75.913207         4.365101
BFGS:   12 15:04:10      -76.551531         4.146799
BFGS:   13 15:04:10      -77.157517         3.933904
BFGS:   14 15:04:10      -77.731967         3.726303
BFGS:   15 15:04:10      -78.275667         3.523886
BFGS:   16 15:04:10      -78.789386         3.326545
BFGS:   17 15:04:10      -79.273879         3.134174
BFGS:   18 15:04:10      -79.729882         2.946670
BFGS:   19 15:04:10      -80.158118         2.763930
BFGS:   20 15:04:10      -80.559294         2.585854
BFGS:   21 15:04:10      -80.934102         2.412345
BFGS:   22 15:04:10      -81.283221         2.243305
BFGS:   23 15:04:10      -81.607313         2.078642
BFGS:   24 15:04:10      -81.907028         1.918263
BFGS:   25 15:04:10      -82.183001         1.762076
BFGS:   26 15:04:10      -82.435856         1.609992
BFGS:   27 15:04:10      -82.666200         1.461926
BFGS:   28 15:04:10      -82.874630         1.317790
BFGS:   29 15:04:10      -83.061729         1.177502
BFGS:   30 15:04:10      -83.228069         1.040978
BFGS:   31 15:04:10      -83.374207         0.908138
BFGS:   32 15:04:10      -83.500690         0.778904
BFGS:   33 15:04:10      -83.608054         0.653197
BFGS:   34 15:04:10      -83.696822         0.530942
BFGS:   35 15:04:11      -83.767506         0.412064
BFGS:   36 15:04:11      -83.820607         0.296490
BFGS:   37 15:04:11      -83.856615         0.184149
BFGS:   38 15:04:11      -83.876009         0.074969
BFGS:   39 15:04:11      -83.879950         0.001795
BFGS:   40 15:04:11      -83.879953         0.000018
BFGS:   41 15:04:11      -83.879953         0.000000
Minimization converged after 41 steps.
Maximum force component: 2.4879311277514558e-30 eV/Angstrom
Maximum stress component: 5.075574966421909e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.40656123557822, 4.4631802294609583e-32, -8.850934723418206e-34], [1.8297164473008442e-33, 5.40656123557822, 1.2827596358315645e-17], [7.303621548055693e-34, 1.2827596358315644e-17, 5.40656123557822]])
forces =  [[-2.22136708e-31 -5.27041108e-49 -2.22136708e-31]
 [-6.00160574e-65 -1.05408222e-48 -4.44273416e-31]
 [ 3.55418733e-31 -1.77709366e-31  5.33128099e-31]
 [ 1.15511088e-30 -1.19953822e-30 -2.66564049e-31]
 [-2.66564049e-31 -2.66564049e-31 -1.51052961e-30]
 [-9.32974173e-31 -9.32974173e-31 -1.46610227e-30]
 [-1.24396556e-30  1.77709366e-30  8.88546831e-31]
 [-7.99692148e-31  5.33128099e-31 -8.88546831e-32]
 [-4.44273416e-31  1.77709366e-31 -1.19953822e-30]
 [ 4.44273416e-32  1.28839291e-30 -7.55264807e-31]
 [ 1.77709366e-31  3.55418733e-31 -7.10837465e-31]
 [ 7.99692148e-31 -3.10991391e-31  7.55264807e-31]
 [-8.88546831e-32  4.88700757e-31 -3.10991391e-31]
 [-2.22136708e-30 -4.44273416e-31  2.04365771e-30]
 [ 5.33128099e-31 -2.48793113e-30  9.77401514e-31]
 [-5.33128099e-31 -8.43265773e-49 -3.55418733e-31]]
stress =  [-5.07557497e-10 -5.07557497e-10 -5.07557497e-10 -1.55479531e-27
 -1.96903046e-59  8.25419072e-60]
energy per atom =  -5.242497045213621
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0