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:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_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 09:40:02     -112.769939         4.412590
BFGS:    1 09:40:02     -112.553228         3.241409
BFGS:    2 09:40:02     -113.001242         0.973759
BFGS:    3 09:40:02     -113.067189         0.732966
BFGS:    4 09:40:02     -113.087608         0.702851
BFGS:    5 09:40:02     -113.113827         0.638232
BFGS:    6 09:40:02     -113.152468         0.519647
BFGS:    7 09:40:02     -113.187563         0.395211
BFGS:    8 09:40:02     -113.217995         0.276383
BFGS:    9 09:40:02     -113.241696         0.200421
BFGS:   10 09:40:02     -113.256698         0.187912
BFGS:   11 09:40:02     -113.261395         0.190138
BFGS:   12 09:40:03     -113.262152         0.185654
BFGS:   13 09:40:03     -113.266101         0.141872
BFGS:   14 09:40:03     -113.269148         0.117186
BFGS:   15 09:40:03     -113.271959         0.082896
BFGS:   16 09:40:03     -113.272719         0.036456
BFGS:   17 09:40:03     -113.272831         0.031757
BFGS:   18 09:40:03     -113.272858         0.028696
BFGS:   19 09:40:03     -113.272915         0.022173
BFGS:   20 09:40:03     -113.273010         0.018235
BFGS:   21 09:40:03     -113.273129         0.017434
BFGS:   22 09:40:03     -113.273199         0.008669
BFGS:   23 09:40:03     -113.273215         0.001785
BFGS:   24 09:40:03     -113.273216         0.000266
BFGS:   25 09:40:03     -113.273216         0.000041
BFGS:   26 09:40:03     -113.273216         0.000016
BFGS:   27 09:40:03     -113.273216         0.000004
BFGS:   28 09:40:04     -113.273216         0.000001
BFGS:   29 09:40:04     -113.273216         0.000000
BFGS:   30 09:40:04     -113.273216         0.000000
BFGS:   31 09:40:04     -113.273216         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.7869389328008133e-09 eV/Angstrom
Maximum stress component: 4.313962504830995e-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 =  [[1.85705090e-01 1.68302349e-01 0.00000000e+00]
 [8.14294910e-01 8.31697651e-01 0.00000000e+00]
 [8.14294910e-01 1.68302349e-01 1.00212013e-35]
 [1.85705090e-01 8.31697651e-01 3.88941959e-35]
 [6.85705090e-01 6.68302349e-01 0.00000000e+00]
 [3.14294910e-01 3.31697651e-01 0.00000000e+00]
 [3.14294910e-01 6.68302349e-01 2.11472844e-35]
 [6.85705090e-01 3.31697651e-01 4.12569144e-35]
 [1.88710596e-01 4.08877213e-01 5.00000000e-01]
 [8.11289404e-01 5.91122787e-01 5.00000000e-01]
 [8.11289404e-01 4.08877213e-01 5.00000000e-01]
 [1.88710596e-01 5.91122787e-01 5.00000000e-01]
 [6.88710596e-01 9.08877213e-01 5.00000000e-01]
 [3.11289404e-01 9.11227867e-02 5.00000000e-01]
 [3.11289404e-01 9.08877213e-01 5.00000000e-01]
 [6.88710596e-01 9.11227867e-02 5.00000000e-01]]
cellpar =  Cell([[4.193878993660563, -2.9571869331061303e-36, 0.0], [-4.1688411773116135e-36, 8.928303214100566, 0.0], [0.0, 0.0, 2.56634646648518]])
forces =  [[ 2.65765255e-10 -1.19553625e-10  0.00000000e+00]
 [-2.65765255e-10  1.19553625e-10  0.00000000e+00]
 [-2.65765255e-10 -1.19553625e-10  0.00000000e+00]
 [ 2.65765255e-10  1.19553625e-10  0.00000000e+00]
 [ 2.65765255e-10 -1.19553625e-10  0.00000000e+00]
 [-2.65765255e-10  1.19553625e-10  0.00000000e+00]
 [-2.65765255e-10 -1.19553625e-10  0.00000000e+00]
 [ 2.65765255e-10  1.19553625e-10  0.00000000e+00]
 [ 1.78693893e-09 -4.42332412e-10  0.00000000e+00]
 [-1.78693893e-09  4.42332412e-10  0.00000000e+00]
 [-1.78693893e-09 -4.42332412e-10  0.00000000e+00]
 [ 1.78693893e-09  4.42332412e-10  0.00000000e+00]
 [ 1.78693893e-09 -4.42332412e-10  0.00000000e+00]
 [-1.78693893e-09  4.42332412e-10  0.00000000e+00]
 [-1.78693893e-09 -4.42332412e-10  0.00000000e+00]
 [ 1.78693893e-09  4.42332412e-10  0.00000000e+00]]
stress =  [ 2.04155372e-10  7.20492110e-11 -4.31396250e-10  0.00000000e+00
  0.00000000e+00 -5.71439670e-47]
energy per atom =  -7.079575978529021
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0