element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
DUNN_WenTadmor_2019v3_C__MO_714772088128_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:03:44     -116.093247         0.011756
BFGS:    1 16:03:44     -116.093253         0.011750
BFGS:    2 16:03:46     -116.094886         0.010038
BFGS:    3 16:03:47     -116.096260         0.008238
BFGS:    4 16:03:47     -116.097339         0.006066
BFGS:    5 16:03:48     -116.098048         0.003267
BFGS:    6 16:03:49     -116.098279         0.000331
BFGS:    7 16:03:50     -116.098281         0.000036
BFGS:    8 16:03:51     -116.098281         0.000000
BFGS:    9 16:03:52     -116.098281         0.000000
Minimization converged after 9 steps.
Maximum force component: 8.097533434650933e-31 eV/Angstrom
Maximum stress component: 4.662845208312328e-11 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 =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[4.74903585255483, 5.722705096891359e-34, -1.7903876670358105e-34], [1.374762299737333e-33, 4.74903585255483, 1.666433243713624e-17], [4.678499476736999e-34, 1.666433243713624e-17, 4.74903585255483]])
forces =  [[-8.29265472e-32 -8.29265472e-32 -5.85363863e-32]
 [-1.75609159e-31 -1.51218998e-31  1.46340966e-32]
 [-1.75609159e-31  1.17072773e-31 -1.56097030e-31]
 [ 1.95121288e-32  1.65853094e-31 -2.82925867e-31]
 [ 8.78045794e-32 -4.87803219e-32  1.26828837e-31]
 [ 3.36584221e-31 -5.85363863e-32  3.70730446e-31]
 [ 1.75609159e-31 -3.07316028e-31  1.19511789e-31]
 [-1.95121288e-32 -1.36584901e-31  1.95121288e-32]
 [ 3.90242575e-32 -7.31704828e-32  2.04877352e-31]
 [-2.92681931e-32 -8.78045794e-32 -8.09753343e-31]
 [-9.75606438e-32 -1.43901950e-31  1.24389821e-31]
 [ 1.85365223e-31  1.65853094e-31  1.75609159e-31]
 [-1.95121288e-32 -1.46340966e-31 -1.95121288e-31]
 [-1.75609159e-31  1.95121288e-32  6.43900249e-31]
 [-2.34907738e-31 -2.70730787e-31  2.68291770e-32]
 [-6.82924507e-32 -6.58534346e-32 -4.87803219e-32]]
stress =  [-4.66284521e-11 -4.66284521e-11 -4.66284521e-11 -3.48387224e-27
  1.82174803e-34  1.35071814e-50]
energy per atom =  0.0575826865264597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0