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_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_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 09:39:59     -111.729523         2.067607
BFGS:    1 09:39:59     -111.876965         0.938047
BFGS:    2 09:40:00     -111.934828         0.384087
BFGS:    3 09:40:00     -111.939418         0.377152
BFGS:    4 09:40:00     -111.949842         0.330981
BFGS:    5 09:40:00     -111.962024         0.294170
BFGS:    6 09:40:00     -111.974469         0.252990
BFGS:    7 09:40:00     -111.980287         0.094895
BFGS:    8 09:40:01     -111.980974         0.044547
BFGS:    9 09:40:01     -111.981046         0.037796
BFGS:   10 09:40:01     -111.981081         0.033353
BFGS:   11 09:40:01     -111.981186         0.019284
BFGS:   12 09:40:01     -111.981284         0.016011
BFGS:   13 09:40:01     -111.981342         0.007548
BFGS:   14 09:40:01     -111.981353         0.003122
BFGS:   15 09:40:01     -111.981354         0.002763
BFGS:   16 09:40:02     -111.981354         0.002606
BFGS:   17 09:40:02     -111.981354         0.001975
BFGS:   18 09:40:02     -111.981355         0.001085
BFGS:   19 09:40:02     -111.981356         0.000741
BFGS:   20 09:40:02     -111.981356         0.000206
BFGS:   21 09:40:02     -111.981356         0.000024
BFGS:   22 09:40:02     -111.981356         0.000002
BFGS:   23 09:40:02     -111.981356         0.000000
BFGS:   24 09:40:02     -111.981356         0.000000
Minimization converged after 24 steps.
Maximum force component: 9.107027987498774e-10 eV/Angstrom
Maximum stress component: 3.056260070388371e-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 =  [[1.83723398e-01 1.66865959e-01 2.57840123e-35]
 [8.16276602e-01 8.33134041e-01 0.00000000e+00]
 [8.16276602e-01 1.66865959e-01 1.09467911e-35]
 [1.83723398e-01 8.33134041e-01 0.00000000e+00]
 [6.83723398e-01 6.66865959e-01 2.68978811e-35]
 [3.16276602e-01 3.33134041e-01 0.00000000e+00]
 [3.16276602e-01 6.66865959e-01 1.24088122e-35]
 [6.83723398e-01 3.33134041e-01 0.00000000e+00]
 [1.90289329e-01 4.09451220e-01 5.00000000e-01]
 [8.09710671e-01 5.90548780e-01 5.00000000e-01]
 [8.09710671e-01 4.09451220e-01 5.00000000e-01]
 [1.90289329e-01 5.90548780e-01 5.00000000e-01]
 [6.90289329e-01 9.09451220e-01 5.00000000e-01]
 [3.09710671e-01 9.05487803e-02 5.00000000e-01]
 [3.09710671e-01 9.09451220e-01 5.00000000e-01]
 [6.90289329e-01 9.05487803e-02 5.00000000e-01]]
cellpar =  Cell([[4.211355199297017, -2.0467318083920275e-37, 0.0], [2.0023538924966003e-37, 8.822153918603346, 0.0], [0.0, 0.0, 2.522956248776983]])
forces =  [[-1.18638887e-10  9.10702799e-10  0.00000000e+00]
 [ 1.18638887e-10 -9.10702799e-10  0.00000000e+00]
 [ 1.18638887e-10  9.10702799e-10 -2.48782694e-31]
 [-1.18638887e-10 -9.10702799e-10  0.00000000e+00]
 [-1.18638887e-10  9.10702799e-10  0.00000000e+00]
 [ 1.18638887e-10 -9.10702799e-10  1.24391347e-31]
 [ 1.18638887e-10  9.10702799e-10 -1.74925332e-31]
 [-1.18638887e-10 -9.10702799e-10  0.00000000e+00]
 [ 1.86882644e-10 -8.07866094e-11  0.00000000e+00]
 [-1.86882644e-10  8.07866094e-11  0.00000000e+00]
 [-1.86882644e-10 -8.07866094e-11  0.00000000e+00]
 [ 1.86882644e-10  8.07866094e-11 -3.10978367e-32]
 [ 1.86882644e-10 -8.07866094e-11 -1.24391347e-31]
 [-1.86882644e-10  8.07866094e-11  6.21956734e-32]
 [-1.86882644e-10 -8.07866094e-11  0.00000000e+00]
 [ 1.86882644e-10  8.07866094e-11  0.00000000e+00]]
stress =  [-2.27576520e-11 -7.21412983e-11 -3.05626007e-10  0.00000000e+00
  0.00000000e+00  2.65407960e-33]
energy per atom =  -6.998834728466444
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0