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_2009_FeTiC__MO_110119204723_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: 6.167812649641386e-31 eV/Angstrom
Maximum stress component: 1.5816531844769953e-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([[4.003139280595542, -2.909447328314684e-33, 2.1031674335651044e-33], [-2.053315598457995e-33, 4.003139280595542, -7.728474377936492e-18], [-1.1298446474683272e-33, -7.728474377936489e-18, 4.003139280595542]])
forces =  [[-3.28950008e-32 -2.63160006e-31  3.28950008e-32]
 [ 1.56251254e-31  8.22375020e-32 -3.70068759e-31]
 [-6.16781265e-31 -2.30265006e-31 -1.31580003e-31]
 [ 2.26153130e-32 -1.31580003e-31 -3.28950008e-32]
 [ 1.64475004e-32 -8.22375020e-32 -2.96055007e-31]
 [-1.64475004e-32 -6.57900016e-32  8.22375020e-33]
 [-3.28950008e-32 -3.08390632e-31 -1.06908753e-31]
 [-3.28950008e-32 -4.93425012e-32 -6.57900016e-32]]
stress =  [-1.58165318e-14 -1.58165318e-14 -1.58165318e-14 -6.63864524e-31
 -1.02555226e-33 -3.36028965e-51]
energy per atom =  -7.334072702848774
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0