element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:22      -92.874992         7.870766
BFGS:    1 16:33:22      -93.860293         5.318361
BFGS:    2 16:33:22      -94.485226         3.060586
BFGS:    3 16:33:22      -94.791691         1.067364
BFGS:    4 16:33:22      -94.838103         0.099257
BFGS:    5 16:33:22      -94.838526         0.003694
BFGS:    6 16:33:22      -94.838527         0.000013
BFGS:    7 16:33:22      -94.838527         0.000000
Minimization converged after 7 steps.
Maximum force component: 2.2177005656373788e-30 eV/Angstrom
Maximum stress component: 2.01231122827336e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.216904179735061, -1.1815372625171477e-32, -5.323755167968588e-33], [-6.865329973467172e-33, 4.216904179735061, 6.329165446545386e-19], [-7.365868248400583e-34, 6.3291654465452575e-19, 4.216904179735061]])
forces =  [[ 1.10885028e-30  5.54425141e-31  5.54425141e-31]
 [-5.54425141e-31 -1.66327542e-30  5.54425141e-31]
 [ 1.59397228e-30  9.00940855e-31  4.85121999e-31]
 [ 1.10885028e-30  4.15818856e-31 -1.66327542e-30]
 [-2.21770057e-30 -8.31637712e-31 -5.54425141e-31]
 [-9.99475828e-64  5.54425141e-31  5.54425141e-31]
 [ 9.79261024e-64 -5.71750927e-31 -2.77212571e-31]
 [-4.15818856e-31 -5.54425141e-31 -5.54425141e-31]]
stress =  [-2.01231123e-10 -2.01231123e-10 -2.01231123e-10 -1.46434340e-26
 -9.24212272e-34 -6.88817186e-50]
energy per atom =  -11.854815881605306
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0