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 15:54:28      -44.243978        1.0659
BFGS:    1 15:54:28      -44.321796        0.3566
BFGS:    2 15:54:28      -44.328742        0.2451
BFGS:    3 15:54:28      -44.332567        0.2159
BFGS:    4 15:54:28      -44.337760        0.1857
BFGS:    5 15:54:28      -44.340879        0.1836
BFGS:    6 15:54:28      -44.342875        0.1850
BFGS:    7 15:54:28      -44.344073        0.1863
BFGS:    8 15:54:28      -44.348394        0.1883
BFGS:    9 15:54:28      -44.354107        0.2228
BFGS:   10 15:54:28      -44.360257        0.2676
BFGS:   11 15:54:28      -44.366747        0.2991
BFGS:   12 15:54:28      -44.373435        0.3190
BFGS:   13 15:54:28      -44.380198        0.3306
BFGS:   14 15:54:28      -44.386933        0.3352
BFGS:   15 15:54:28      -44.393550        0.3332
BFGS:   16 15:54:28      -44.399962        0.3240
BFGS:   17 15:54:28      -44.406075        0.3055
BFGS:   18 15:54:28      -44.411767        0.2737
BFGS:   19 15:54:28      -44.416821        0.2194
BFGS:   20 15:54:28      -44.420632        0.1150
BFGS:   21 15:54:28      -44.421487        0.0394
BFGS:   22 15:54:28      -44.421678        0.0064
BFGS:   23 15:54:28      -44.421702        0.0020
BFGS:   24 15:54:28      -44.421703        0.0002
BFGS:   25 15:54:28      -44.421703        0.0000
BFGS:   26 15:54:28      -44.421703        0.0000
BFGS:   27 15:54:28      -44.421703        0.0000
BFGS:   28 15:54:28      -44.421703        0.0000
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