element(s):
['C']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4773', '0.15607601']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.15607601 0.15607601 0.15607601]]
spacegroup =  206
cell =  [[4.4773, 0, 0], [0, 4.4773, 0], [0, 0, 4.4773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:34:30     -280.480857        27.082354
BFGS:    1 15:34:30     -291.543159        22.474346
BFGS:    2 15:34:30     -294.976033        22.577922
BFGS:    3 15:34:31     -298.420403        22.724559
BFGS:    4 15:34:31     -301.770035        22.470920
BFGS:    5 15:34:31     -305.158164        22.382687
BFGS:    6 15:34:31     -308.555472        22.305094
BFGS:    7 15:34:31     -311.950233        22.215821
BFGS:    8 15:34:31     -315.335518        22.123799
BFGS:    9 15:34:31     -318.710934        22.041435
BFGS:   10 15:34:31     -322.062438        21.867474
BFGS:   11 15:34:31     -325.386554        21.660973
BFGS:   12 15:34:31     -328.676731        21.417717
BFGS:   13 15:34:31     -331.926552        21.134319
BFGS:   14 15:34:31     -335.129425        20.807663
BFGS:   15 15:34:31     -338.278427        20.434647
BFGS:   16 15:34:31     -341.366218        20.012072
BFGS:   17 15:34:31     -344.384986        19.536575
BFGS:   18 15:34:31     -347.326407        19.004607
BFGS:   19 15:34:31     -350.181609        18.412405
BFGS:   20 15:34:31     -352.941135        17.755977
BFGS:   21 15:34:31     -355.594907        17.031086
BFGS:   22 15:34:31     -358.132185        16.233235
BFGS:   23 15:34:31     -360.541528        15.357649
BFGS:   24 15:34:31     -362.811081        14.459718
BFGS:   25 15:34:32     -364.938014        13.417073
BFGS:   26 15:34:32     -366.903095        12.320353
BFGS:   27 15:34:32     -368.686058        11.080142
BFGS:   28 15:34:32     -370.272642         9.735026
BFGS:   29 15:34:32     -371.652348         8.360079
BFGS:   30 15:34:32     -372.805659         6.780550
BFGS:   31 15:34:32     -373.709726         5.075143
BFGS:   32 15:34:32     -374.344087         3.234284
BFGS:   33 15:34:32     -374.691119         1.311541
BFGS:   34 15:34:32     -374.753011         0.128785
BFGS:   35 15:34:32     -374.753594         0.003028
BFGS:   36 15:34:32     -374.753594         0.000055
BFGS:   37 15:34:32     -374.753594         0.000016
BFGS:   38 15:34:32     -374.753594         0.000000
BFGS:   39 15:34:32     -374.753594         0.000000
Minimization converged after 39 steps.
Maximum force component: 2.3960981737630003e-10 eV/Angstrom
Maximum stress component: 2.1227589229817087e-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 =  [[0.14232503 0.14232503 0.14232503]
 [0.35767497 0.85767497 0.64232503]
 [0.85767497 0.64232503 0.35767497]
 [0.64232503 0.35767497 0.85767497]
 [0.64232503 0.64232503 0.64232503]
 [0.85767497 0.35767497 0.14232503]
 [0.35767497 0.14232503 0.85767497]
 [0.14232503 0.85767497 0.35767497]
 [0.85767497 0.85767497 0.85767497]
 [0.64232503 0.14232503 0.35767497]
 [0.14232503 0.35767497 0.64232503]
 [0.35767497 0.64232503 0.14232503]
 [0.35767497 0.35767497 0.35767497]
 [0.14232503 0.64232503 0.85767497]
 [0.64232503 0.85767497 0.14232503]
 [0.85767497 0.14232503 0.64232503]]
cellpar =  Cell([[4.012231739491758, 1.1573855497422603e-36, 0.0], [1.854960508523542e-36, 4.012231739491758, 0.0], [0.0, 0.0, 4.012231739491758]])
forces =  [[ 2.39609817e-10  2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10  2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10 -2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10  2.39609817e-10 -2.39609817e-10]
 [ 2.39609817e-10 -2.39609817e-10  2.39609817e-10]
 [-2.39609817e-10  2.39609817e-10  2.39609817e-10]]
stress =  [-2.12275892e-10 -2.12275892e-10 -2.12275892e-10  0.00000000e+00
  0.00000000e+00  2.04181868e-32]
energy per atom =  -23.422099653940126
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0