element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:20:45      -58.274418        1.0787
BFGS:    1 18:20:45      -58.322868        1.0171
BFGS:    2 18:20:45      -58.459956        0.8086
BFGS:    3 18:20:45      -58.564795        0.5870
BFGS:    4 18:20:45      -58.635369        0.3516
BFGS:    5 18:20:45      -58.669572        0.1020
BFGS:    6 18:20:45      -58.672576        0.0043
BFGS:    7 18:20:45      -58.672582        0.0000
BFGS:    8 18:20:45      -58.672582        0.0000
BFGS:    9 18:20:45      -58.672582        0.0000
Minimization converged after 9 steps.
Maximum force component: 5.263199955629199e-31 eV/Angstrom
Maximum stress component: 1.5003977207370646e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.003139149724727, -8.21177603428585e-33, -7.457875246029636e-33], [8.211703067509791e-33, 4.003139149724727, -1.5801602511601506e-17], [-1.3278704512825283e-33, -1.5801602511601513e-17, 4.003139149724727]])
forces =  [[-5.26319996e-31  1.94769788e-49 -4.93424996e-32]
 [-6.57899994e-32 -1.31579999e-31  6.57899994e-32]
 [-3.94739997e-31  6.57899994e-32 -2.13817498e-31]
 [ 3.04278747e-31  2.63159998e-31 -3.28949997e-31]
 [ 2.13817498e-31 -1.31579999e-31  5.19386103e-49]
 [-2.63159998e-31  5.39829090e-64  4.90268851e-64]
 [-6.57899994e-32 -3.24616314e-50  8.22374993e-33]
 [ 2.96054998e-31 -1.31579999e-31  2.63159998e-31]]
stress =  [-1.50039772e-14 -1.50039772e-14 -1.50039772e-14 -9.99465478e-30
 -5.12776162e-34 -1.13858491e-49]
energy per atom =  -7.334072705130194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0