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:
Sim_LAMMPS_MEAM_LiyanageKimHouze_2014_FeC__SM_652425777808_001
==== 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 16:04:44      -66.510072         7.157649
BFGS:    1 16:04:44      -67.562195         6.871807
BFGS:    2 16:04:44      -68.571954         6.592761
BFGS:    3 16:04:44      -69.540357         6.320372
BFGS:    4 16:04:45      -70.468392         6.054504
BFGS:    5 16:04:45      -71.357027         5.795022
BFGS:    6 16:04:45      -72.207211         5.541797
BFGS:    7 16:04:45      -73.019872         5.294699
BFGS:    8 16:04:45      -73.795921         5.053603
BFGS:    9 16:04:46      -74.536247         4.818385
BFGS:   10 16:04:46      -75.241724         4.588924
BFGS:   11 16:04:47      -75.913207         4.365101
BFGS:   12 16:04:47      -76.551531         4.146799
BFGS:   13 16:04:48      -77.157517         3.933903
BFGS:   14 16:04:48      -77.731967         3.726302
BFGS:   15 16:04:48      -78.275667         3.523886
BFGS:   16 16:04:49      -78.789386         3.326545
BFGS:   17 16:04:49      -79.273879         3.134174
BFGS:   18 16:04:49      -79.729882         2.946670
BFGS:   19 16:04:49      -80.158118         2.763930
BFGS:   20 16:04:49      -80.559294         2.585854
BFGS:   21 16:04:50      -80.934102         2.412344
BFGS:   22 16:04:50      -81.283221         2.243305
BFGS:   23 16:04:50      -81.607313         2.078642
BFGS:   24 16:04:50      -81.907028         1.918262
BFGS:   25 16:04:51      -82.183001         1.762075
BFGS:   26 16:04:51      -82.435856         1.609992
BFGS:   27 16:04:51      -82.666200         1.461926
BFGS:   28 16:04:51      -82.874630         1.317790
BFGS:   29 16:04:52      -83.061729         1.177501
BFGS:   30 16:04:52      -83.228069         1.040978
BFGS:   31 16:04:52      -83.374207         0.908138
BFGS:   32 16:04:52      -83.500690         0.778904
BFGS:   33 16:04:53      -83.608054         0.653197
BFGS:   34 16:04:53      -83.696822         0.530942
BFGS:   35 16:04:53      -83.767506         0.412064
BFGS:   36 16:04:54      -83.820607         0.296490
BFGS:   37 16:04:54      -83.856615         0.184149
BFGS:   38 16:04:54      -83.876009         0.074969
BFGS:   39 16:04:55      -83.879950         0.001795
BFGS:   40 16:04:55      -83.879953         0.000018
BFGS:   41 16:04:55      -83.879953         0.000000
Minimization converged after 41 steps.
Maximum force component: 3.6041680846221035e-30 eV/Angstrom
Maximum stress component: 5.075585907250372e-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([[5.406561235578246, -1.48113460819984e-32, 5.300040200068863e-33], [2.7628855096982126e-33, 5.406561235578246, 2.2516916519135465e-18], [-5.8097587207992966e-33, 2.2516916519135453e-18, 5.406561235578246]])
forces =  [[ 2.72117467e-31 -3.99846074e-31 -6.10875947e-32]
 [-1.28839291e-30  4.44273416e-32  2.27690126e-31]
 [ 8.88546831e-31  7.10837465e-31 -2.66564049e-31]
 [ 6.16429364e-31  4.55380251e-31 -9.44081008e-32]
 [ 2.06348440e-64  7.77478477e-31  1.77709366e-31]
 [-3.47088606e-30 -1.56606379e-30 -1.71600607e-30]
 [ 2.31022176e-30 -1.42167493e-30 -1.24396556e-30]
 [ 9.32974173e-31 -7.77478477e-31  2.22136708e-32]
 [ 3.33205062e-32  2.22136708e-31 -5.38681516e-31]
 [-4.33166580e-31 -5.77555440e-31 -1.55495695e-30]
 [-1.33282025e-30 -1.77709366e-31 -6.21982782e-31]
 [ 2.94331138e-31  6.83070377e-31  4.10952909e-31]
 [-3.33205062e-32 -2.83224302e-31  1.11068354e-31]
 [ 1.44388860e-30 -1.26617923e-30 -5.10914428e-31]
 [-3.83185821e-31  2.75449518e-30  3.60416808e-30]
 [ 8.88546831e-31 -6.21982782e-31  5.33128099e-31]]
stress =  [-5.07558591e-10 -5.07558591e-10 -5.07558591e-10 -8.24035380e-28
 -1.31773545e-35  3.20349043e-53]
energy per atom =  -5.242497045213623
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0