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_Lee_2006_FeC__MO_856956178669_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 22:00:50     -112.999207         6.610516
BFGS:    1 22:00:50     -114.797824         2.162000
BFGS:    2 22:00:50     -115.238679         0.848467
BFGS:    3 22:00:50     -115.312393         0.871950
BFGS:    4 22:00:51     -115.372155         0.828919
BFGS:    5 22:00:51     -115.407633         0.738215
BFGS:    6 22:00:51     -115.446319         0.590514
BFGS:    7 22:00:51     -115.481376         0.424104
BFGS:    8 22:00:51     -115.512392         0.290667
BFGS:    9 22:00:51     -115.535480         0.193710
BFGS:   10 22:00:52     -115.542579         0.104236
BFGS:   11 22:00:52     -115.543581         0.111376
BFGS:   12 22:00:52     -115.544277         0.107023
BFGS:   13 22:00:52     -115.545122         0.096034
BFGS:   14 22:00:52     -115.547169         0.088185
BFGS:   15 22:00:52     -115.550058         0.106332
BFGS:   16 22:00:53     -115.552814         0.082864
BFGS:   17 22:00:53     -115.554125         0.040912
BFGS:   18 22:00:53     -115.554430         0.019568
BFGS:   19 22:00:53     -115.554478         0.012233
BFGS:   20 22:00:53     -115.554494         0.008035
BFGS:   21 22:00:53     -115.554500         0.006845
BFGS:   22 22:00:53     -115.554504         0.006641
BFGS:   23 22:00:54     -115.554510         0.005406
BFGS:   24 22:00:54     -115.554518         0.004317
BFGS:   25 22:00:54     -115.554523         0.002544
BFGS:   26 22:00:54     -115.554524         0.000657
BFGS:   27 22:00:54     -115.554524         0.000079
BFGS:   28 22:00:54     -115.554524         0.000009
BFGS:   29 22:00:55     -115.554524         0.000002
BFGS:   30 22:00:55     -115.554524         0.000001
BFGS:   31 22:00:55     -115.554524         0.000000
BFGS:   32 22:00:55     -115.554524         0.000000
Minimization converged after 32 steps.
Maximum force component: 7.2444224768347665e-09 eV/Angstrom
Maximum stress component: 1.0669221687575233e-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 1.57985375e-01 1.11763325e-35]
 [8.22919317e-01 8.42014625e-01 1.75656049e-36]
 [8.22919317e-01 1.57985375e-01 0.00000000e+00]
 [1.77080683e-01 8.42014625e-01 0.00000000e+00]
 [6.77080683e-01 6.57985375e-01 8.29263051e-37]
 [3.22919317e-01 3.42014625e-01 6.34721032e-37]
 [3.22919317e-01 6.57985375e-01 1.74052372e-36]
 [6.77080683e-01 3.42014625e-01 0.00000000e+00]
 [1.93845781e-01 4.05273855e-01 5.00000000e-01]
 [8.06154219e-01 5.94726145e-01 5.00000000e-01]
 [8.06154219e-01 4.05273855e-01 5.00000000e-01]
 [1.93845781e-01 5.94726145e-01 5.00000000e-01]
 [6.93845781e-01 9.05273855e-01 5.00000000e-01]
 [3.06154219e-01 9.47261447e-02 5.00000000e-01]
 [3.06154219e-01 9.05273855e-01 5.00000000e-01]
 [6.93845781e-01 9.47261447e-02 5.00000000e-01]]
cellpar =  Cell([[4.25858946099146, 3.857888642385797e-37, 0.0], [9.836686790364992e-38, 8.966031278297514, 0.0], [0.0, 0.0, 2.4629760545469663]])
forces =  [[ 6.77863804e-09 -1.77622712e-09  0.00000000e+00]
 [-6.77863804e-09  1.77622712e-09 -1.21434095e-31]
 [-6.77863804e-09 -1.77622712e-09  3.64302285e-31]
 [ 6.77863804e-09  1.77622712e-09  0.00000000e+00]
 [ 6.77863804e-09 -1.77622712e-09  6.07170475e-32]
 [-6.77863804e-09  1.77622712e-09  1.21434095e-31]
 [-6.77863804e-09 -1.77622712e-09 -2.42868190e-31]
 [ 6.77863804e-09  1.77622712e-09 -1.21434095e-31]
 [ 7.24442248e-09  3.25871843e-09 -1.21434095e-31]
 [-7.24442248e-09 -3.25871843e-09  6.07170475e-32]
 [-7.24442248e-09  3.25871843e-09  0.00000000e+00]
 [ 7.24442248e-09 -3.25871843e-09  0.00000000e+00]
 [ 7.24442248e-09  3.25871843e-09 -6.83066784e-32]
 [-7.24442248e-09 -3.25871843e-09  0.00000000e+00]
 [-7.24442248e-09  3.25871843e-09  0.00000000e+00]
 [ 7.24442248e-09 -3.25871843e-09  3.03585237e-32]]
stress =  [ 6.33500636e-10 -1.06692217e-09  3.23328020e-10  0.00000000e+00
  0.00000000e+00 -5.16504866e-33]
energy per atom =  -7.222157762698347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0