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 15:54:30     -118.561825         0.308458
BFGS:    1 15:54:30     -118.584679         0.340163
BFGS:    2 15:54:30     -118.982319         0.521948
BFGS:    3 15:54:30     -118.767872         0.831268
BFGS:    4 15:54:31     -119.054748         0.123202
BFGS:    5 15:54:31     -119.056941         0.111080
BFGS:    6 15:54:31     -119.058693         0.115178
BFGS:    7 15:54:32     -119.059548         0.115766
BFGS:    8 15:54:32     -119.065139         0.114432
BFGS:    9 15:54:32     -119.074413         0.189467
BFGS:   10 15:54:32     -119.084505         0.226902
BFGS:   11 15:54:33     -119.094827         0.218180
BFGS:   12 15:54:33     -119.104010         0.150626
BFGS:   13 15:54:33     -119.108141         0.039311
BFGS:   14 15:54:34     -119.108663         0.004227
BFGS:   15 15:54:34     -119.108681         0.000162
BFGS:   16 15:54:34     -119.108681         0.000006
BFGS:   17 15:54:34     -119.108681         0.000000
Minimization converged after 17 steps.
Maximum force component: 4.699048181633024e-12 eV/Angstrom
Maximum stress component: 4.79223946952269e-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([[4.8036893777605405, -9.856803841929023e-33, -5.132635174344858e-33], [-8.751813145652827e-33, 4.8036893777605405, -9.482785639813478e-22], [-5.117488582473996e-34, -9.482785639736982e-22, 4.8036893777605405]])
forces =  [[ 4.69904818e-12  4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12  4.69904818e-12]
 [ 4.69904818e-12  4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12  4.69904818e-12 -4.69904818e-12]
 [-4.69904818e-12 -4.69904818e-12 -4.69904818e-12]
 [ 4.69904818e-12 -4.69904818e-12  4.69904818e-12]
 [-4.69904818e-12  4.69904818e-12  4.69904818e-12]]
stress =  [-4.79223947e-13 -4.79223947e-13 -4.79223947e-13  4.83975726e-29
 -3.56106062e-33  3.89114810e-49]
energy per atom =  -0.04994202711954099
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0