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 17:43:07      -76.315137       24.7522
BFGS:    1 17:43:07      -91.552943       13.3002
BFGS:    2 17:43:07      -98.251878        3.4356
BFGS:    3 17:43:07      -98.835804        1.2274
BFGS:    4 17:43:07      -98.910682        1.1422
BFGS:    5 17:43:07      -99.057997        0.9794
BFGS:    6 17:43:07      -99.189055        0.8331
BFGS:    7 17:43:07      -99.307015        0.7948
BFGS:    8 17:43:07      -99.410221        0.7438
BFGS:    9 17:43:08      -99.496751        0.6474
BFGS:   10 17:43:08      -99.565207        0.5219
BFGS:   11 17:43:08      -99.614716        0.3764
BFGS:   12 17:43:08      -99.644755        0.2146
BFGS:   13 17:43:08      -99.654870        0.0406
BFGS:   14 17:43:08      -99.654932        0.0204
BFGS:   15 17:43:08      -99.654957        0.0021
BFGS:   16 17:43:08      -99.654959        0.0003
BFGS:   17 17:43:08      -99.654959        0.0001
BFGS:   18 17:43:08      -99.654959        0.0000
BFGS:   19 17:43:08      -99.654959        0.0000
BFGS:   20 17:43:08      -99.654959        0.0000
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