element(s):
['C']
AFLOW prototype label:
A_oP16_62_4c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.80509054 0.25       0.07436885]
 [0.18951676 0.25       0.70009446]
 [0.5207376  0.25       0.90843723]
 [0.46345886 0.25       0.56850299]]
spacegroup =  62
cell =  [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:44:49     -110.804756         3.050230
BFGS:    1 09:44:49     -110.994684         2.980581
BFGS:    2 09:44:49     -111.157937         0.511300
BFGS:    3 09:44:49     -111.181289         0.479525
BFGS:    4 09:44:49     -111.245176         0.362027
BFGS:    5 09:44:49     -111.271304         0.280785
BFGS:    6 09:44:49     -111.279640         0.198786
BFGS:    7 09:44:49     -111.282601         0.173287
BFGS:    8 09:44:49     -111.284883         0.150983
BFGS:    9 09:44:49     -111.288304         0.147870
BFGS:   10 09:44:49     -111.292101         0.138218
BFGS:   11 09:44:49     -111.294149         0.063743
BFGS:   12 09:44:49     -111.294554         0.013096
BFGS:   13 09:44:49     -111.294582         0.005852
BFGS:   14 09:44:49     -111.294584         0.004722
BFGS:   15 09:44:49     -111.294585         0.004139
BFGS:   16 09:44:49     -111.294587         0.003286
BFGS:   17 09:44:49     -111.294589         0.003344
BFGS:   18 09:44:49     -111.294592         0.003124
BFGS:   19 09:44:49     -111.294593         0.001355
BFGS:   20 09:44:49     -111.294593         0.000328
BFGS:   21 09:44:49     -111.294593         0.000279
BFGS:   22 09:44:49     -111.294593         0.000261
BFGS:   23 09:44:49     -111.294593         0.000203
BFGS:   24 09:44:49     -111.294593         0.000117
BFGS:   25 09:44:49     -111.294593         0.000079
BFGS:   26 09:44:49     -111.294593         0.000028
BFGS:   27 09:44:49     -111.294593         0.000004
BFGS:   28 09:44:49     -111.294593         0.000000
BFGS:   29 09:44:49     -111.294593         0.000000
BFGS:   30 09:44:49     -111.294593         0.000000
Minimization converged after 30 steps.
Maximum force component: 2.070467949866206e-09 eV/Angstrom
Maximum stress component: 5.419795960946398e-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 =  [[0.80434883 0.25       0.05632229]
 [0.69565117 0.75       0.55632229]
 [0.19565117 0.75       0.94367771]
 [0.30434883 0.25       0.44367771]
 [0.19176991 0.25       0.71280353]
 [0.30823009 0.75       0.21280353]
 [0.80823009 0.75       0.28719647]
 [0.69176991 0.25       0.78719647]
 [0.52063543 0.25       0.91376891]
 [0.97936457 0.75       0.41376891]
 [0.47936457 0.75       0.08623109]
 [0.02063543 0.25       0.58623109]
 [0.46526968 0.25       0.56611127]
 [0.03473032 0.75       0.06611127]
 [0.53473032 0.75       0.43388873]
 [0.96526968 0.25       0.93388873]]
cellpar =  Cell([[9.120721449937875, -1.899836428897729e-35, 0.0], [2.1583098450012942e-36, 2.5544795585466584, 0.0], [0.0, 0.0, 4.1769574801381735]])
forces =  [[-2.59842259e-10  3.14863915e-32  1.52361487e-09]
 [ 2.59842259e-10 -5.41248619e-46  1.52361487e-09]
 [ 2.59842259e-10 -6.29727830e-32 -1.52361487e-09]
 [-2.59842259e-10  5.41248619e-46 -1.52361487e-09]
 [-3.92484031e-11  6.29727830e-32  3.25374436e-10]
 [ 3.92484031e-11  6.29727830e-32  3.25374436e-10]
 [ 3.92484031e-11 -6.29727830e-32 -3.25374436e-10]
 [-3.92484031e-11  8.17539999e-47 -3.25374436e-10]
 [ 3.11911996e-10 -6.49709320e-46 -9.89677090e-11]
 [-3.11911996e-10 -7.87159788e-33 -9.89677090e-11]
 [-3.11911996e-10  6.49709320e-46  9.89677090e-11]
 [ 3.11911996e-10  7.87159788e-33  9.89677090e-11]
 [-2.07046795e-09 -1.57431958e-32  3.59873464e-10]
 [ 2.07046795e-09 -1.96789947e-32  3.59873464e-10]
 [ 2.07046795e-09 -4.31276238e-45 -3.59873464e-10]
 [-2.07046795e-09 -3.14863915e-32 -3.59873464e-10]]
stress =  [-3.84376886e-10 -3.36586207e-11 -5.41979596e-10  0.00000000e+00
  0.00000000e+00  8.46464635e-33]
energy per atom =  -6.955912047503849
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0