element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:42:31      -76.315137        24.752155
BFGS:    1 15:42:31      -91.552943        13.300171
BFGS:    2 15:42:31      -98.251878         3.435611
BFGS:    3 15:42:31      -98.835804         1.227433
BFGS:    4 15:42:31      -98.910682         1.142243
BFGS:    5 15:42:31      -99.057997         0.979411
BFGS:    6 15:42:31      -99.189055         0.833103
BFGS:    7 15:42:31      -99.307015         0.794837
BFGS:    8 15:42:31      -99.410221         0.743819
BFGS:    9 15:42:31      -99.496751         0.647388
BFGS:   10 15:42:31      -99.565207         0.521897
BFGS:   11 15:42:31      -99.614716         0.376394
BFGS:   12 15:42:31      -99.644755         0.214648
BFGS:   13 15:42:31      -99.654870         0.040623
BFGS:   14 15:42:31      -99.654932         0.020445
BFGS:   15 15:42:31      -99.654957         0.002051
BFGS:   16 15:42:31      -99.654959         0.000252
BFGS:   17 15:42:31      -99.654959         0.000055
BFGS:   18 15:42:31      -99.654959         0.000003
BFGS:   19 15:42:31      -99.654959         0.000000
BFGS:   20 15:42:31      -99.654959         0.000000
Minimization converged after 20 steps.
Maximum force component: 3.5495591188539097e-10 eV/Angstrom
Maximum stress component: 4.241784768949047e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.17607557 0.17607557 0.17607557]
 [0.82392443 0.82392443 0.17607557]
 [0.82392443 0.17607557 0.82392443]
 [0.17607557 0.82392443 0.82392443]
 [0.17607557 0.17607557 0.82392443]
 [0.82392443 0.82392443 0.82392443]
 [0.17607557 0.82392443 0.17607557]
 [0.82392443 0.17607557 0.17607557]
 [0.67607557 0.67607557 0.67607557]
 [0.32392443 0.32392443 0.67607557]
 [0.32392443 0.67607557 0.32392443]
 [0.67607557 0.32392443 0.32392443]
 [0.67607557 0.67607557 0.32392443]
 [0.32392443 0.32392443 0.32392443]
 [0.67607557 0.32392443 0.67607557]
 [0.32392443 0.67607557 0.67607557]]
cellpar =  Cell([[5.033074412797241, -2.353803748273078e-32, -3.703089733742111e-33], [-1.5122232992999838e-32, 5.033074412797241, 4.175173803656742e-18], [2.4228093792537116e-33, 4.175173803656737e-18, 5.033074412797241]])
forces =  [[ 3.54955912e-10  3.54955912e-10  3.54955912e-10]
 [-3.54955912e-10 -3.54955912e-10  3.54955912e-10]
 [-3.54955912e-10  3.54955912e-10 -3.54955912e-10]
 [ 3.54955912e-10 -3.54955912e-10 -3.54955912e-10]
 [ 3.54955912e-10  3.54955912e-10 -3.54955912e-10]
 [-3.54955912e-10 -3.54955912e-10 -3.54955912e-10]
 [ 3.54955912e-10 -3.54955912e-10  3.54955912e-10]
 [-3.54955912e-10  3.54955912e-10  3.54955912e-10]
 [ 3.54955912e-10  3.54955912e-10  3.54955912e-10]
 [-3.54955912e-10 -3.54955912e-10  3.54955912e-10]
 [-3.54955912e-10  3.54955912e-10 -3.54955912e-10]
 [ 3.54955912e-10 -3.54955912e-10 -3.54955912e-10]
 [ 3.54955912e-10  3.54955912e-10 -3.54955912e-10]
 [-3.54955912e-10 -3.54955912e-10 -3.54955912e-10]
 [ 3.54955912e-10 -3.54955912e-10  3.54955912e-10]
 [-3.54955912e-10  3.54955912e-10  3.54955912e-10]]
stress =  [-4.24178477e-11 -4.24178477e-11 -4.24178477e-11 -1.03594551e-30
  3.24386295e-34  1.83070180e-51]
energy per atom =  -6.228434918342387
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0