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 15:02:12      -44.243978         1.065858
BFGS:    1 15:02:12      -44.321796         0.356645
BFGS:    2 15:02:12      -44.328742         0.245103
BFGS:    3 15:02:12      -44.332567         0.215930
BFGS:    4 15:02:12      -44.337760         0.185679
BFGS:    5 15:02:12      -44.340879         0.183566
BFGS:    6 15:02:12      -44.342875         0.185013
BFGS:    7 15:02:12      -44.344073         0.186318
BFGS:    8 15:02:12      -44.348394         0.188308
BFGS:    9 15:02:12      -44.354107         0.222841
BFGS:   10 15:02:12      -44.360257         0.267620
BFGS:   11 15:02:12      -44.366747         0.299072
BFGS:   12 15:02:12      -44.373435         0.319012
BFGS:   13 15:02:12      -44.380198         0.330580
BFGS:   14 15:02:12      -44.386933         0.335206
BFGS:   15 15:02:12      -44.393550         0.333220
BFGS:   16 15:02:12      -44.399962         0.323961
BFGS:   17 15:02:12      -44.406075         0.305496
BFGS:   18 15:02:12      -44.411767         0.273694
BFGS:   19 15:02:12      -44.416821         0.219389
BFGS:   20 15:02:12      -44.420632         0.115036
BFGS:   21 15:02:12      -44.421487         0.039449
BFGS:   22 15:02:12      -44.421678         0.006363
BFGS:   23 15:02:12      -44.421702         0.001982
BFGS:   24 15:02:12      -44.421703         0.000201
BFGS:   25 15:02:12      -44.421703         0.000017
BFGS:   26 15:02:12      -44.421703         0.000002
BFGS:   27 15:02:12      -44.421703         0.000000
BFGS:   28 15:02:12      -44.421703         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.2224661561848972e-09 eV/Angstrom
Maximum stress component: 1.689352595708234e-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([[2.45462269998869, -4.1768559000185605e-18, -2.538235128220988e-16], [-1.227311349994345, 2.125765614896156, -1.5918486770114908e-15], [-1.4961280859370724e-15, -1.0047145542956911e-14, 11.0545042578609]])
forces =  [[-4.36131916e-25 -2.92881397e-24  3.22246616e-09]
 [ 4.36132346e-25  2.92881434e-24 -3.22246616e-09]
 [-4.36132346e-25 -2.92881360e-24  3.22246616e-09]
 [ 4.36131916e-25  2.92881546e-24 -3.22246616e-09]
 [-4.36131271e-25 -2.92881360e-24  3.22246616e-09]
 [ 4.36132131e-25  2.92881509e-24 -3.22246616e-09]]
stress =  [-1.68935260e-10 -1.68935260e-10 -4.62276918e-11 -2.27863645e-25
  3.63483663e-26 -1.14660072e-25]
energy per atom =  -7.403617114477114
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0