element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:39:52     -112.999207         6.610516
BFGS:    1 09:39:52     -114.797825         2.162000
BFGS:    2 09:39:53     -115.238680         0.848467
BFGS:    3 09:39:53     -115.312393         0.871950
BFGS:    4 09:39:53     -115.372155         0.828917
BFGS:    5 09:39:53     -115.407633         0.738217
BFGS:    6 09:39:53     -115.446318         0.590514
BFGS:    7 09:39:53     -115.481376         0.424105
BFGS:    8 09:39:53     -115.512392         0.290668
BFGS:    9 09:39:53     -115.535480         0.193708
BFGS:   10 09:39:53     -115.542579         0.104235
BFGS:   11 09:39:53     -115.543581         0.111376
BFGS:   12 09:39:53     -115.544277         0.107023
BFGS:   13 09:39:53     -115.545122         0.096034
BFGS:   14 09:39:53     -115.547169         0.088187
BFGS:   15 09:39:54     -115.550058         0.106329
BFGS:   16 09:39:54     -115.552814         0.082864
BFGS:   17 09:39:54     -115.554125         0.040912
BFGS:   18 09:39:54     -115.554430         0.019568
BFGS:   19 09:39:54     -115.554478         0.012233
BFGS:   20 09:39:54     -115.554494         0.008035
BFGS:   21 09:39:54     -115.554500         0.006845
BFGS:   22 09:39:54     -115.554504         0.006641
BFGS:   23 09:39:54     -115.554510         0.005405
BFGS:   24 09:39:54     -115.554518         0.004317
BFGS:   25 09:39:54     -115.554523         0.002544
BFGS:   26 09:39:54     -115.554524         0.000657
BFGS:   27 09:39:54     -115.554524         0.000079
BFGS:   28 09:39:54     -115.554524         0.000009
BFGS:   29 09:39:54     -115.554524         0.000002
BFGS:   30 09:39:54     -115.554524         0.000001
BFGS:   31 09:39:54     -115.554524         0.000000
BFGS:   32 09:39:54     -115.554524         0.000000
Minimization converged after 32 steps.
Maximum force component: 7.240249409200451e-09 eV/Angstrom
Maximum stress component: 1.064845358056476e-09 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 =  [[1.77080683e-01 1.57985380e-01 5.71578810e-36]
 [8.22919317e-01 8.42014620e-01 0.00000000e+00]
 [8.22919317e-01 1.57985380e-01 1.88634288e-36]
 [1.77080683e-01 8.42014620e-01 0.00000000e+00]
 [6.77080683e-01 6.57985380e-01 3.26787071e-36]
 [3.22919317e-01 3.42014620e-01 3.92468176e-36]
 [3.22919317e-01 6.57985380e-01 0.00000000e+00]
 [6.77080683e-01 3.42014620e-01 0.00000000e+00]
 [1.93845783e-01 4.05273857e-01 5.00000000e-01]
 [8.06154217e-01 5.94726143e-01 5.00000000e-01]
 [8.06154217e-01 4.05273857e-01 5.00000000e-01]
 [1.93845783e-01 5.94726143e-01 5.00000000e-01]
 [6.93845783e-01 9.05273857e-01 5.00000000e-01]
 [3.06154217e-01 9.47261428e-02 5.00000000e-01]
 [3.06154217e-01 9.05273857e-01 5.00000000e-01]
 [6.93845783e-01 9.47261428e-02 5.00000000e-01]]
cellpar =  Cell([[4.258589472596285, 4.60271071273292e-37, 0.0], [1.0175242184019393e-36, 8.966031131661467, 0.0], [0.0, 0.0, 2.462976091073272]])
forces =  [[ 6.77539522e-09 -1.78114211e-09  0.00000000e+00]
 [-6.77539522e-09  1.78114211e-09  0.00000000e+00]
 [-6.77539522e-09 -1.78114211e-09  0.00000000e+00]
 [ 6.77539522e-09  1.78114211e-09 -6.07170484e-32]
 [ 6.77539522e-09 -1.78114211e-09  0.00000000e+00]
 [-6.77539522e-09  1.78114211e-09  0.00000000e+00]
 [-6.77539522e-09 -1.78114211e-09  0.00000000e+00]
 [ 6.77539522e-09  1.78114211e-09 -3.03585242e-32]
 [ 7.24024941e-09  3.24345092e-09  3.03585242e-32]
 [-7.24024941e-09 -3.24345092e-09 -1.21434097e-31]
 [-7.24024941e-09  3.24345092e-09 -3.33943766e-31]
 [ 7.24024941e-09 -3.24345092e-09  0.00000000e+00]
 [ 7.24024941e-09  3.24345092e-09  0.00000000e+00]
 [-7.24024941e-09 -3.24345092e-09 -2.42868194e-31]
 [-7.24024941e-09  3.24345092e-09  1.82151145e-31]
 [ 7.24024941e-09 -3.24345092e-09  0.00000000e+00]]
stress =  [ 6.31968556e-10 -1.06484536e-09  3.22246962e-10  0.00000000e+00
  0.00000000e+00  1.29126218e-33]
energy per atom =  -7.222157762824354
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0