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_LeeLee_2005_C__MO_996970420049_001
==== 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 16:41:47     -113.001811         6.578573
BFGS:    1 16:41:47     -114.802832         2.177057
BFGS:    2 16:41:47     -115.241027         0.843167
BFGS:    3 16:41:47     -115.312898         0.873013
BFGS:    4 16:41:47     -115.372822         0.834847
BFGS:    5 16:41:47     -115.408414         0.741705
BFGS:    6 16:41:47     -115.446823         0.590860
BFGS:    7 16:41:47     -115.481806         0.422222
BFGS:    8 16:41:47     -115.512796         0.288391
BFGS:    9 16:41:47     -115.535789         0.190334
BFGS:   10 16:41:47     -115.542739         0.107254
BFGS:   11 16:41:47     -115.543726         0.112845
BFGS:   12 16:41:47     -115.544428         0.106801
BFGS:   13 16:41:47     -115.545266         0.094121
BFGS:   14 16:41:47     -115.547286         0.087530
BFGS:   15 16:41:47     -115.550120         0.105499
BFGS:   16 16:41:47     -115.552839         0.082984
BFGS:   17 16:41:47     -115.554166         0.042392
BFGS:   18 16:41:47     -115.554501         0.020706
BFGS:   19 16:41:47     -115.554555         0.012625
BFGS:   20 16:41:47     -115.554573         0.008765
BFGS:   21 16:41:47     -115.554579         0.007348
BFGS:   22 16:41:47     -115.554584         0.007167
BFGS:   23 16:41:47     -115.554591         0.005751
BFGS:   24 16:41:47     -115.554600         0.004641
BFGS:   25 16:41:47     -115.554606         0.002553
BFGS:   26 16:41:47     -115.554607         0.000602
BFGS:   27 16:41:47     -115.554607         0.000070
BFGS:   28 16:41:47     -115.554607         0.000008
BFGS:   29 16:41:47     -115.554607         0.000002
BFGS:   30 16:41:47     -115.554607         0.000001
BFGS:   31 16:41:47     -115.554607         0.000000
BFGS:   32 16:41:47     -115.554607         0.000000
Minimization converged after 32 steps.
Maximum force component: 7.973195324459392e-09 eV/Angstrom
Maximum stress component: 1.0414875246492681e-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 =  [[1.77100481e-01 1.57997406e-01 4.81982577e-35]
 [8.22899519e-01 8.42002594e-01 0.00000000e+00]
 [8.22899519e-01 1.57997406e-01 7.76377178e-35]
 [1.77100481e-01 8.42002594e-01 0.00000000e+00]
 [6.77100481e-01 6.57997406e-01 4.78721140e-35]
 [3.22899519e-01 3.42002594e-01 0.00000000e+00]
 [3.22899519e-01 6.57997406e-01 7.19953326e-35]
 [6.77100481e-01 3.42002594e-01 0.00000000e+00]
 [1.93861753e-01 4.05282645e-01 5.00000000e-01]
 [8.06138247e-01 5.94717355e-01 5.00000000e-01]
 [8.06138247e-01 4.05282645e-01 5.00000000e-01]
 [1.93861753e-01 5.94717355e-01 5.00000000e-01]
 [6.93861753e-01 9.05282645e-01 5.00000000e-01]
 [3.06138247e-01 9.47173548e-02 5.00000000e-01]
 [3.06138247e-01 9.05282645e-01 5.00000000e-01]
 [6.93861753e-01 9.47173548e-02 5.00000000e-01]]
cellpar =  Cell([[4.258660391594465, 2.7644929039520756e-36, 0.0], [4.6052586133229763e-36, 8.965616805878279, 0.0], [0.0, 0.0, 2.462988439042259]])
forces =  [[ 6.77741390e-09 -2.86538727e-09  0.00000000e+00]
 [-6.77741390e-09  2.86538727e-09  0.00000000e+00]
 [-6.77741390e-09 -2.86538727e-09 -3.03586764e-32]
 [ 6.77741390e-09  2.86538727e-09  0.00000000e+00]
 [ 6.77741390e-09 -2.86538727e-09  0.00000000e+00]
 [-6.77741390e-09  2.86538727e-09  0.00000000e+00]
 [-6.77741390e-09 -2.86538727e-09  6.07173528e-32]
 [ 6.77741390e-09  2.86538727e-09  0.00000000e+00]
 [ 7.97319532e-09  2.30444203e-09  0.00000000e+00]
 [-7.97319532e-09 -2.30444203e-09  0.00000000e+00]
 [-7.97319532e-09  2.30444203e-09  0.00000000e+00]
 [ 7.97319532e-09 -2.30444203e-09  9.48708637e-33]
 [ 7.97319532e-09  2.30444203e-09  0.00000000e+00]
 [-7.97319532e-09 -2.30444203e-09  0.00000000e+00]
 [-7.97319532e-09  2.30444203e-09  0.00000000e+00]
 [ 7.97319532e-09 -2.30444203e-09 -6.07173528e-32]]
stress =  [ 7.92946433e-10 -1.04148752e-09  4.46049816e-10  0.00000000e+00
  0.00000000e+00 -1.29130035e-33]
energy per atom =  -7.222162964243713
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0