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:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== 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 17:26:10      -58.274418         1.078733
BFGS:    1 17:26:10      -58.322868         1.017062
BFGS:    2 17:26:10      -58.459956         0.808621
BFGS:    3 17:26:10      -58.564795         0.587000
BFGS:    4 17:26:10      -58.635369         0.351641
BFGS:    5 17:26:10      -58.669572         0.101958
BFGS:    6 17:26:10      -58.672576         0.004260
BFGS:    7 17:26:10      -58.672582         0.000048
BFGS:    8 17:26:10      -58.672582         0.000000
BFGS:    9 17:26:10      -58.672582         0.000000
Minimization converged after 9 steps.
Maximum force component: 4.934250119713023e-31 eV/Angstrom
Maximum stress component: 1.1566876342196076e-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([[4.003139280595473, 3.749816345723544e-33, 4.309431860176224e-34], [-1.9979590151343043e-33, 4.003139280595473, -1.7562664413166706e-18], [-3.754715504108914e-34, -1.7562664413166702e-18, 4.003139280595473]])
forces =  [[ 2.46712506e-32  6.57900016e-32  6.57900016e-32]
 [ 3.28950008e-31 -2.63160006e-31 -3.28950008e-32]
 [-4.93425012e-31  2.88635403e-50 -6.57900016e-32]
 [-1.48027504e-31  2.63160006e-31 -2.63160006e-31]
 [ 1.31580003e-31  6.85509082e-50 -1.56251254e-31]
 [-4.93425012e-32 -9.29045204e-50  2.11761568e-31]
 [-4.60530011e-31  1.31580003e-31  1.64475004e-32]
 [-1.31580003e-31 -1.23253480e-64 -1.41647597e-65]]
stress =  [-1.15668763e-14 -1.15668763e-14 -1.15668763e-14  6.07893855e-32
  9.93755127e-64 -3.01510573e-64]
energy per atom =  -7.33407270284878
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0