element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:42:28     -118.561825         0.308458
BFGS:    1 16:42:29     -118.584679         0.340163
BFGS:    2 16:42:29     -118.982319         0.521948
BFGS:    3 16:42:30     -118.767872         0.831268
BFGS:    4 16:42:30     -119.054748         0.123202
BFGS:    5 16:42:31     -119.056941         0.111080
BFGS:    6 16:42:31     -119.058693         0.115178
BFGS:    7 16:42:31     -119.059548         0.115766
BFGS:    8 16:42:32     -119.065139         0.114432
BFGS:    9 16:42:32     -119.074413         0.189467
BFGS:   10 16:42:33     -119.084505         0.226902
BFGS:   11 16:42:33     -119.094827         0.218180
BFGS:   12 16:42:34     -119.104010         0.150626
BFGS:   13 16:42:34     -119.108141         0.039311
BFGS:   14 16:42:34     -119.108663         0.004227
BFGS:   15 16:42:35     -119.108681         0.000162
BFGS:   16 16:42:35     -119.108681         0.000006
BFGS:   17 16:42:36     -119.108681         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.699591336498839e-12 eV/Angstrom
Maximum stress component: 4.781144132190466e-13 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 =  [[0.17087295 0.17087295 0.17087295]
 [0.82912705 0.82912705 0.17087295]
 [0.82912705 0.17087295 0.82912705]
 [0.17087295 0.82912705 0.82912705]
 [0.17087295 0.17087295 0.82912705]
 [0.82912705 0.82912705 0.82912705]
 [0.17087295 0.82912705 0.17087295]
 [0.82912705 0.17087295 0.17087295]
 [0.67087295 0.67087295 0.67087295]
 [0.32912705 0.32912705 0.67087295]
 [0.32912705 0.67087295 0.32912705]
 [0.67087295 0.32912705 0.32912705]
 [0.67087295 0.67087295 0.32912705]
 [0.32912705 0.32912705 0.32912705]
 [0.67087295 0.32912705 0.67087295]
 [0.32912705 0.67087295 0.67087295]]
cellpar =  Cell([[4.803689377760542, 1.7566459550138258e-32, -7.762113755876138e-34], [1.458307424195833e-32, 4.803689377760542, 2.455799442355388e-19], [5.6120691778309114e-34, 2.455799442355151e-19, 4.803689377760542]])
forces =  [[ 4.69959134e-12  4.69959134e-12  4.69959134e-12]
 [-4.69959134e-12 -4.69959134e-12  4.69959134e-12]
 [-4.69959134e-12  4.69959134e-12 -4.69959134e-12]
 [ 4.69959134e-12 -4.69959134e-12 -4.69959134e-12]
 [ 4.69959134e-12  4.69959134e-12 -4.69959134e-12]
 [-4.69959134e-12 -4.69959134e-12 -4.69959134e-12]
 [ 4.69959134e-12 -4.69959134e-12  4.69959134e-12]
 [-4.69959134e-12  4.69959134e-12  4.69959134e-12]
 [ 4.69959134e-12  4.69959134e-12  4.69959134e-12]
 [-4.69959134e-12 -4.69959134e-12  4.69959134e-12]
 [-4.69959134e-12  4.69959134e-12 -4.69959134e-12]
 [ 4.69959134e-12 -4.69959134e-12 -4.69959134e-12]
 [ 4.69959134e-12  4.69959134e-12 -4.69959134e-12]
 [-4.69959134e-12 -4.69959134e-12 -4.69959134e-12]
 [ 4.69959134e-12 -4.69959134e-12  4.69959134e-12]
 [-4.69959134e-12  4.69959134e-12  4.69959134e-12]]
stress =  [-4.78114413e-13 -4.78114413e-13 -4.78114413e-13  1.62667275e-31
 -3.56106062e-34  6.38137760e-52]
energy per atom =  -0.0499420271195401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0