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 15:56:12      -76.315137        24.752155
BFGS:    1 15:56:13      -91.552943        13.300171
BFGS:    2 15:56:13      -98.251878         3.435611
BFGS:    3 15:56:13      -98.835804         1.227433
BFGS:    4 15:56:13      -98.910682         1.142243
BFGS:    5 15:56:13      -99.057997         0.979411
BFGS:    6 15:56:13      -99.189055         0.833103
BFGS:    7 15:56:13      -99.307015         0.794837
BFGS:    8 15:56:13      -99.410221         0.743819
BFGS:    9 15:56:13      -99.496751         0.647388
BFGS:   10 15:56:13      -99.565207         0.521897
BFGS:   11 15:56:13      -99.614716         0.376394
BFGS:   12 15:56:13      -99.644755         0.214648
BFGS:   13 15:56:14      -99.654870         0.040623
BFGS:   14 15:56:14      -99.654932         0.020445
BFGS:   15 15:56:14      -99.654957         0.002051
BFGS:   16 15:56:14      -99.654959         0.000252
BFGS:   17 15:56:14      -99.654959         0.000055
BFGS:   18 15:56:14      -99.654959         0.000003
BFGS:   19 15:56:14      -99.654959         0.000000
BFGS:   20 15:56:14      -99.654959         0.000000
Minimization converged after 20 steps.
Maximum force component: 3.549451057146178e-10 eV/Angstrom
Maximum stress component: 4.24200352133776e-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([[5.033074412797239, -6.901873862736991e-33, 9.09742357742046e-33], [-3.8488653945848645e-32, 5.033074412797239, -9.841226727499371e-18], [1.1453248430141221e-32, -9.841226727499373e-18, 5.033074412797239]])
forces =  [[ 3.54945106e-10  3.54945106e-10  3.54945106e-10]
 [-3.54945106e-10 -3.54945106e-10  3.54945106e-10]
 [-3.54945106e-10  3.54945106e-10 -3.54945106e-10]
 [ 3.54945106e-10 -3.54945106e-10 -3.54945106e-10]
 [ 3.54945106e-10  3.54945106e-10 -3.54945106e-10]
 [-3.54945106e-10 -3.54945106e-10 -3.54945106e-10]
 [ 3.54945106e-10 -3.54945106e-10  3.54945106e-10]
 [-3.54945106e-10  3.54945106e-10  3.54945106e-10]
 [ 3.54945106e-10  3.54945106e-10  3.54945106e-10]
 [-3.54945106e-10 -3.54945106e-10  3.54945106e-10]
 [-3.54945106e-10  3.54945106e-10 -3.54945106e-10]
 [ 3.54945106e-10 -3.54945106e-10 -3.54945106e-10]
 [ 3.54945106e-10  3.54945106e-10 -3.54945106e-10]
 [-3.54945106e-10 -3.54945106e-10 -3.54945106e-10]
 [ 3.54945106e-10 -3.54945106e-10  3.54945106e-10]
 [-3.54945106e-10  3.54945106e-10  3.54945106e-10]]
stress =  [-4.24200352e-11 -4.24200352e-11 -4.24200352e-11  1.80370448e-28
  1.21239378e-32  5.63303492e-49]
energy per atom =  -6.22843491834238
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0