element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:51      -44.243978         1.065858
BFGS:    1 16:47:51      -44.321796         0.356645
BFGS:    2 16:47:51      -44.328742         0.245103
BFGS:    3 16:47:51      -44.332567         0.215930
BFGS:    4 16:47:51      -44.337760         0.185679
BFGS:    5 16:47:51      -44.340879         0.183566
BFGS:    6 16:47:51      -44.342875         0.185013
BFGS:    7 16:47:51      -44.344073         0.186318
BFGS:    8 16:47:51      -44.348394         0.188308
BFGS:    9 16:47:51      -44.354107         0.222841
BFGS:   10 16:47:51      -44.360257         0.267620
BFGS:   11 16:47:51      -44.366747         0.299072
BFGS:   12 16:47:51      -44.373435         0.319012
BFGS:   13 16:47:51      -44.380198         0.330580
BFGS:   14 16:47:51      -44.386933         0.335206
BFGS:   15 16:47:51      -44.393550         0.333220
BFGS:   16 16:47:51      -44.399962         0.323961
BFGS:   17 16:47:51      -44.406075         0.305496
BFGS:   18 16:47:51      -44.411767         0.273694
BFGS:   19 16:47:51      -44.416821         0.219389
BFGS:   20 16:47:51      -44.420632         0.115036
BFGS:   21 16:47:51      -44.421487         0.039449
BFGS:   22 16:47:51      -44.421678         0.006363
BFGS:   23 16:47:51      -44.421702         0.001982
BFGS:   24 16:47:51      -44.421703         0.000201
BFGS:   25 16:47:51      -44.421703         0.000017
BFGS:   26 16:47:51      -44.421703         0.000002
BFGS:   27 16:47:51      -44.421703         0.000000
BFGS:   28 16:47:51      -44.421703         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.2224865854450324e-09 eV/Angstrom
Maximum stress component: 1.6893820128671706e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.         0.         0.33131367]
 [0.         1.         0.66868633]
 [0.66666667 0.33333333 0.664647  ]
 [0.66666667 0.33333333 0.00201966]
 [0.33333333 0.66666667 0.99798034]
 [0.33333333 0.66666667 0.335353  ]]
cellpar =  Cell([[2.4546226999886893, 1.3708931569327603e-18, -4.369609959438817e-16], [-1.2273113499943447, 2.1257656148961557, -1.4087111938897325e-15], [-2.3960737860763116e-15, -9.527561650725803e-15, 11.0545042578609]])
forces =  [[-6.98474728e-25 -2.77736994e-24  3.22248659e-09]
 [ 6.98476018e-25  2.77736845e-24 -3.22248659e-09]
 [-6.98475158e-25 -2.77736994e-24  3.22248659e-09]
 [ 6.98476018e-25  2.77736771e-24 -3.22248659e-09]
 [-6.98474728e-25 -2.77736994e-24  3.22248659e-09]
 [ 6.98475803e-25  2.77736808e-24 -3.22248659e-09]]
stress =  [-1.68938201e-10 -1.68938201e-10 -4.62276885e-11 -2.49304817e-25
  7.34806067e-26  2.88453118e-25]
energy per atom =  -7.403617114477115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0