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:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== 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 15:41:16     -112.999207         6.610516
BFGS:    1 15:41:16     -114.797825         2.162000
BFGS:    2 15:41:16     -115.238680         0.848467
BFGS:    3 15:41:16     -115.312393         0.871950
BFGS:    4 15:41:16     -115.372155         0.828917
BFGS:    5 15:41:16     -115.407633         0.738217
BFGS:    6 15:41:16     -115.446318         0.590514
BFGS:    7 15:41:16     -115.481376         0.424105
BFGS:    8 15:41:16     -115.512392         0.290668
BFGS:    9 15:41:17     -115.535480         0.193708
BFGS:   10 15:41:17     -115.542579         0.104235
BFGS:   11 15:41:17     -115.543581         0.111376
BFGS:   12 15:41:17     -115.544277         0.107023
BFGS:   13 15:41:17     -115.545122         0.096034
BFGS:   14 15:41:17     -115.547169         0.088187
BFGS:   15 15:41:17     -115.550058         0.106329
BFGS:   16 15:41:17     -115.552814         0.082864
BFGS:   17 15:41:17     -115.554125         0.040912
BFGS:   18 15:41:17     -115.554430         0.019568
BFGS:   19 15:41:17     -115.554478         0.012233
BFGS:   20 15:41:17     -115.554494         0.008035
BFGS:   21 15:41:17     -115.554500         0.006845
BFGS:   22 15:41:17     -115.554504         0.006641
BFGS:   23 15:41:17     -115.554510         0.005405
BFGS:   24 15:41:17     -115.554518         0.004317
BFGS:   25 15:41:17     -115.554523         0.002544
BFGS:   26 15:41:17     -115.554524         0.000657
BFGS:   27 15:41:17     -115.554524         0.000079
BFGS:   28 15:41:17     -115.554524         0.000009
BFGS:   29 15:41:17     -115.554524         0.000002
BFGS:   30 15:41:17     -115.554524         0.000001
BFGS:   31 15:41:17     -115.554524         0.000000
BFGS:   32 15:41:17     -115.554524         0.000000
Minimization converged after 32 steps.
Maximum force component: 7.240249224813036e-09 eV/Angstrom
Maximum stress component: 1.0648477336433482e-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 0.00000000e+00]
 [8.22919317e-01 8.42014620e-01 0.00000000e+00]
 [8.22919317e-01 1.57985380e-01 7.07485800e-35]
 [1.77080683e-01 8.42014620e-01 1.48932261e-35]
 [6.77080683e-01 6.57985380e-01 0.00000000e+00]
 [3.22919317e-01 3.42014620e-01 0.00000000e+00]
 [3.22919317e-01 6.57985380e-01 7.53374329e-35]
 [6.77080683e-01 3.42014620e-01 3.57346839e-36]
 [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([[4.2585894725963005, 2.8226793766231103e-37, 0.0], [4.376062594491257e-36, 8.966031131661412, 0.0], [0.0, 0.0, 2.462976091073274]])
forces =  [[ 6.77536902e-09 -1.78110744e-09 -2.42868194e-31]
 [-6.77536902e-09  1.78110744e-09 -6.07170484e-32]
 [-6.77536902e-09 -1.78110744e-09  0.00000000e+00]
 [ 6.77536902e-09  1.78110744e-09  1.21434097e-31]
 [ 6.77536902e-09 -1.78110744e-09 -1.21434097e-31]
 [-6.77536902e-09  1.78110744e-09  2.42868194e-31]
 [-6.77536902e-09 -1.78110744e-09 -2.42868194e-31]
 [ 6.77536902e-09  1.78110744e-09  1.21434097e-31]
 [ 7.24024922e-09  3.24345276e-09  0.00000000e+00]
 [-7.24024922e-09 -3.24345276e-09  1.21434097e-31]
 [-7.24024922e-09  3.24345276e-09 -1.21434097e-31]
 [ 7.24024922e-09 -3.24345276e-09  0.00000000e+00]
 [ 7.24024922e-09  3.24345276e-09 -2.42868194e-31]
 [-7.24024922e-09 -3.24345276e-09  2.42868194e-31]
 [-7.24024922e-09  3.24345276e-09 -3.03585242e-32]
 [ 7.24024922e-09 -3.24345276e-09  0.00000000e+00]]
stress =  [ 6.31967141e-10 -1.06484773e-09  3.22245973e-10  0.00000000e+00
  0.00000000e+00 -2.61238161e-45]
energy per atom =  -7.222157762824352
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0