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:
DUNN_WenTadmor_2019v3_C__MO_714772088128_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 16:40:11     -126.283932         1.463894
BFGS:    1 16:40:12     -126.585215         0.850894
BFGS:    2 16:40:12     -126.810581         0.719140
BFGS:    3 16:40:13     -126.864581         0.640375
BFGS:    4 16:40:13     -126.937972         0.481101
BFGS:    5 16:40:14     -126.979075         0.349470
BFGS:    6 16:40:15     -127.013316         0.284653
BFGS:    7 16:40:15     -127.028570         0.190406
BFGS:    8 16:40:16     -127.034395         0.126948
BFGS:    9 16:40:17     -127.037506         0.111436
BFGS:   10 16:40:17     -127.040004         0.092337
BFGS:   11 16:40:18     -127.042336         0.089515
BFGS:   12 16:40:18     -127.043784         0.093301
BFGS:   13 16:40:19     -127.044469         0.087790
BFGS:   14 16:40:19     -127.044961         0.079937
BFGS:   15 16:40:20     -127.045539         0.070460
BFGS:   16 16:40:21     -127.046200         0.060927
BFGS:   17 16:40:22     -127.046928         0.057029
BFGS:   18 16:40:22     -127.047741         0.055258
BFGS:   19 16:40:23     -127.048550         0.044579
BFGS:   20 16:40:23     -127.049067         0.033005
BFGS:   21 16:40:24     -127.049224         0.010924
BFGS:   22 16:40:24     -127.049244         0.009994
BFGS:   23 16:40:25     -127.049248         0.009524
BFGS:   24 16:40:25     -127.049255         0.008625
BFGS:   25 16:40:26     -127.049268         0.007015
BFGS:   26 16:40:26     -127.049292         0.006990
BFGS:   27 16:40:27     -127.049316         0.005865
BFGS:   28 16:40:27     -127.049327         0.002392
BFGS:   29 16:40:27     -127.049329         0.000347
BFGS:   30 16:40:28     -127.049329         0.000035
BFGS:   31 16:40:28     -127.049329         0.000003
BFGS:   32 16:40:29     -127.049329         0.000000
BFGS:   33 16:40:30     -127.049329         0.000000
BFGS:   34 16:40:30     -127.049329         0.000000
BFGS:   35 16:40:31     -127.049329         0.000000
Minimization converged after 35 steps.
Maximum force component: 3.5963297751251206e-09 eV/Angstrom
Maximum stress component: 5.038965349841177e-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 =  [[1.90240320e-01 1.63977306e-01 0.00000000e+00]
 [8.09759680e-01 8.36022694e-01 1.62746396e-35]
 [8.09759680e-01 1.63977306e-01 0.00000000e+00]
 [1.90240320e-01 8.36022694e-01 1.02253336e-35]
 [6.90240320e-01 6.63977306e-01 0.00000000e+00]
 [3.09759680e-01 3.36022694e-01 1.94603090e-35]
 [3.09759680e-01 6.63977306e-01 0.00000000e+00]
 [6.90240320e-01 3.36022694e-01 8.99840782e-36]
 [2.02595632e-01 4.12987745e-01 5.00000000e-01]
 [7.97404368e-01 5.87012255e-01 5.00000000e-01]
 [7.97404368e-01 4.12987745e-01 5.00000000e-01]
 [2.02595632e-01 5.87012255e-01 5.00000000e-01]
 [7.02595632e-01 9.12987745e-01 5.00000000e-01]
 [2.97404368e-01 8.70122550e-02 5.00000000e-01]
 [2.97404368e-01 9.12987745e-01 5.00000000e-01]
 [7.02595632e-01 8.70122550e-02 5.00000000e-01]]
cellpar =  Cell([[4.170693689140395, 1.951479561556728e-36, 0.0], [6.685494470704594e-36, 8.637668130949299, 0.0], [0.0, 0.0, 2.4947632454693056]])
forces =  [[ 3.71953248e-10 -2.96939923e-09  0.00000000e+00]
 [-3.71953248e-10  2.96939923e-09  6.15006623e-32]
 [-3.71953248e-10 -2.96939923e-09 -3.07503311e-32]
 [ 3.71953248e-10  2.96939923e-09  0.00000000e+00]
 [ 3.71953248e-10 -2.96939923e-09  0.00000000e+00]
 [-3.71953248e-10  2.96939923e-09  6.15006623e-32]
 [-3.71953248e-10 -2.96939923e-09 -3.07503311e-32]
 [ 3.71953248e-10  2.96939923e-09  0.00000000e+00]
 [ 4.03368029e-10  3.59632978e-09  7.30320364e-32]
 [-4.03368029e-10 -3.59632978e-09 -6.15006623e-32]
 [-4.03368029e-10  3.59632978e-09  6.15006623e-32]
 [ 4.03368029e-10 -3.59632978e-09 -3.07503311e-32]
 [ 4.03368029e-10  3.59632978e-09  6.15006623e-32]
 [-4.03368029e-10 -3.59632978e-09 -6.15006623e-32]
 [-4.03368029e-10  3.59632978e-09  6.15006623e-32]
 [ 4.03368029e-10 -3.59632978e-09 -3.07503311e-32]]
stress =  [2.24469038e-10 1.37474701e-10 5.03896535e-10 0.00000000e+00
 0.00000000e+00 2.18975549e-32]
energy per atom =  -0.6268577645475606
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0