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 18:20:52      -58.274418        1.0787
BFGS:    1 18:20:52      -58.322868        1.0171
BFGS:    2 18:20:52      -58.459956        0.8086
BFGS:    3 18:20:52      -58.564795        0.5870
BFGS:    4 18:20:52      -58.635369        0.3516
BFGS:    5 18:20:52      -58.669572        0.1020
BFGS:    6 18:20:52      -58.672576        0.0043
BFGS:    7 18:20:52      -58.672582        0.0000
BFGS:    8 18:20:52      -58.672582        0.0000
BFGS:    9 18:20:52      -58.672582        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.9737000478852086e-30 eV/Angstrom
Maximum stress component: 1.428433554001982e-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([[4.003139280595471, 1.0213448641857782e-33, -6.777116594315991e-33], [-1.4337328451324484e-32, 4.003139280595471, 1.2207208544682469e-17], [-8.422494493129061e-33, 1.2207208544682464e-17, 4.003139280595471]])
forces =  [[ 1.97370005e-31  4.11187510e-32  1.25387885e-49]
 [-9.86850024e-32  2.63160006e-31  1.64475004e-32]
 [ 2.30265006e-31 -4.11187510e-32 -9.21060022e-31]
 [ 1.31580003e-30 -8.55270021e-31 -8.22375020e-31]
 [ 5.92110014e-31  1.97370005e-30  6.01861849e-48]
 [ 1.64475004e-31 -3.61845009e-31 -4.11187510e-31]
 [ 4.60530011e-31  2.25698193e-48  7.40137518e-31]
 [ 1.18422003e-30  6.57900016e-31  1.97370005e-30]]
stress =  [-1.42843355e-14 -1.42843355e-14 -1.42843355e-14  6.26819816e-32
  5.12776129e-34  1.60748115e-50]
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