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_LCBOP_LosFasolino_2003_C__SM_469631949122_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 16:41:21     -112.430352         4.295598
BFGS:    1 16:41:21     -113.043835         1.678318
BFGS:    2 16:41:21     -113.206984         0.159480
BFGS:    3 16:41:21     -113.208407         0.140389
BFGS:    4 16:41:21     -113.208948         0.129944
BFGS:    5 16:41:21     -113.210965         0.092424
BFGS:    6 16:41:21     -113.212414         0.098694
BFGS:    7 16:41:21     -113.213326         0.049823
BFGS:    8 16:41:21     -113.213496         0.011457
BFGS:    9 16:41:21     -113.213509         0.011558
BFGS:   10 16:41:21     -113.213514         0.011456
BFGS:   11 16:41:21     -113.213528         0.009866
BFGS:   12 16:41:21     -113.213545         0.007820
BFGS:   13 16:41:21     -113.213559         0.004968
BFGS:   14 16:41:21     -113.213563         0.001399
BFGS:   15 16:41:21     -113.213564         0.000956
BFGS:   16 16:41:21     -113.213564         0.000910
BFGS:   17 16:41:22     -113.213564         0.000823
BFGS:   18 16:41:22     -113.213564         0.000582
BFGS:   19 16:41:22     -113.213564         0.000319
BFGS:   20 16:41:22     -113.213564         0.000124
BFGS:   21 16:41:22     -113.213564         0.000034
BFGS:   22 16:41:23     -113.213564         0.000004
BFGS:   23 16:41:23     -113.213564         0.000001
BFGS:   24 16:41:23     -113.213564         0.000001
BFGS:   25 16:41:23     -113.213564         0.000000
BFGS:   26 16:41:23     -113.213564         0.000000
BFGS:   27 16:41:24     -113.213564         0.000000
Minimization converged after 27 steps.
Maximum force component: 5.361770085795976e-09 eV/Angstrom
Maximum stress component: 2.551111168956907e-10 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 =  [[1.82542570e-01 1.65861049e-01 0.00000000e+00]
 [8.17457430e-01 8.34138951e-01 8.42763436e-36]
 [8.17457430e-01 1.65861049e-01 5.22510682e-36]
 [1.82542570e-01 8.34138951e-01 4.13687718e-36]
 [6.82542570e-01 6.65861049e-01 0.00000000e+00]
 [3.17457430e-01 3.34138951e-01 0.00000000e+00]
 [3.17457430e-01 6.65861049e-01 0.00000000e+00]
 [6.82542570e-01 3.34138951e-01 4.60756989e-36]
 [1.93853836e-01 4.08581892e-01 5.00000000e-01]
 [8.06146164e-01 5.91418108e-01 5.00000000e-01]
 [8.06146164e-01 4.08581892e-01 5.00000000e-01]
 [1.93853836e-01 5.91418108e-01 5.00000000e-01]
 [6.93853836e-01 9.08581892e-01 5.00000000e-01]
 [3.06146164e-01 9.14181081e-02 5.00000000e-01]
 [3.06146164e-01 9.08581892e-01 5.00000000e-01]
 [6.93853836e-01 9.14181081e-02 5.00000000e-01]]
cellpar =  Cell([[4.248158259831115, 3.7202117038969924e-37, 0.0], [1.555237270810748e-38, 8.788472159223376, 0.0], [0.0, 0.0, 2.5220437136709193]])
forces =  [[-1.10908815e-09  9.39689829e-10  0.00000000e+00]
 [ 1.10908815e-09 -9.39689829e-10  1.24346355e-31]
 [ 1.10908815e-09  9.39689829e-10  0.00000000e+00]
 [-1.10908815e-09 -9.39689829e-10  0.00000000e+00]
 [-1.10908815e-09  9.39689829e-10  0.00000000e+00]
 [ 1.10908815e-09 -9.39689829e-10  6.21731777e-32]
 [ 1.10908815e-09  9.39689829e-10  0.00000000e+00]
 [-1.10908815e-09 -9.39689829e-10 -3.10865889e-32]
 [-2.28134122e-09  5.36177009e-09  0.00000000e+00]
 [ 2.28134122e-09 -5.36177009e-09  0.00000000e+00]
 [ 2.28134122e-09  5.36177009e-09  3.10865889e-32]
 [-2.28134122e-09 -5.36177009e-09  0.00000000e+00]
 [-2.28134122e-09  5.36177009e-09  0.00000000e+00]
 [ 2.28134122e-09 -5.36177009e-09  3.10865889e-32]
 [ 2.28134122e-09  5.36177009e-09  3.49724125e-32]
 [-2.28134122e-09 -5.36177009e-09  0.00000000e+00]]
stress =  [-6.59657754e-11 -2.55111117e-10  8.30142887e-12  0.00000000e+00
  0.00000000e+00  2.21557409e-26]
energy per atom =  -7.075847750605247
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0