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:
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 =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:42:08     -267.688736        24.373861
BFGS:    1 10:42:08     -271.357405        24.539916
BFGS:    2 10:42:08     -275.050141        24.694588
BFGS:    3 10:42:08     -278.765161        24.836848
BFGS:    4 10:42:08     -282.500521        24.965600
BFGS:    5 10:42:08     -286.254107        25.079676
BFGS:    6 10:42:08     -290.023628        25.177834
BFGS:    7 10:42:08     -293.806596        25.258750
BFGS:    8 10:42:09     -297.600320        25.321015
BFGS:    9 10:42:09     -301.401893        25.363132
BFGS:   10 10:42:09     -305.208173        25.383506
BFGS:   11 10:42:09     -309.015773        25.380441
BFGS:   12 10:42:09     -312.821043        25.352131
BFGS:   13 10:42:09     -316.620054        25.296659
BFGS:   14 10:42:09     -320.414160        25.290732
BFGS:   15 10:42:10     -324.199608        25.176502
BFGS:   16 10:42:10     -327.965429        25.028637
BFGS:   17 10:42:10     -331.706395        24.844682
BFGS:   18 10:42:10     -335.416899        24.622028
BFGS:   19 10:42:10     -339.090930        24.357901
BFGS:   20 10:42:11     -342.722049        24.049351
BFGS:   21 10:42:11     -346.303358        23.693244
BFGS:   22 10:42:11     -349.827478        23.286244
BFGS:   23 10:42:11     -353.286510        22.824806
BFGS:   24 10:42:11     -356.672010        22.305163
BFGS:   25 10:42:11     -359.974949        21.723308
BFGS:   26 10:42:11     -363.185679        21.074980
BFGS:   27 10:42:12     -366.304379        20.520050
BFGS:   28 10:42:12     -369.324027        19.728885
BFGS:   29 10:42:12     -372.219004        18.856896
BFGS:   30 10:42:12     -374.976783        17.898642
BFGS:   31 10:42:12     -377.583994        16.848338
BFGS:   32 10:42:12     -380.026375        15.699834
BFGS:   33 10:42:12     -382.288708        14.446590
BFGS:   34 10:42:13     -384.354768        13.081648
BFGS:   35 10:42:13     -386.207249        11.597611
BFGS:   36 10:42:13     -387.827704         9.986611
BFGS:   37 10:42:13     -389.196466         8.240279
BFGS:   38 10:42:13     -390.292576         6.349713
BFGS:   39 10:42:14     -391.129001         4.565353
BFGS:   40 10:42:14     -391.650803         2.363865
BFGS:   41 10:42:14     -391.829446         0.011933
BFGS:   42 10:42:14     -391.829450         0.000454
BFGS:   43 10:42:14     -391.829450         0.000000
BFGS:   44 10:42:14     -391.829450         0.000000
Minimization converged after 44 steps.
Maximum force component: 3.538556912239508e-29 eV/Angstrom
Maximum stress component: 9.348684926063157e-14 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([[4.205300431633277, -1.0711954659793769e-32, 6.089919459828292e-33], [1.7664781465584983e-32, 4.205300431633277, 2.2915285279724795e-17], [-1.0373968728293713e-32, 2.2915285279724835e-17, 4.205300431633277]])
forces =  [[ 2.21159807e-30  3.61539454e-47  6.63479421e-30]
 [-8.84639228e-30 -2.21159807e-30 -1.20513151e-47]
 [ 4.42319614e-30  4.42319614e-30 -3.53855691e-29]
 [-4.42319614e-30 -1.10579904e-29 -8.84639228e-30]
 [ 3.31739711e-30 -7.74059325e-30 -6.63479421e-30]
 [-1.54811865e-29 -2.21159807e-29 -4.42319614e-30]
 [-2.21159807e-30 -7.23078908e-47 -1.32695884e-29]
 [-1.10579904e-30  3.31739711e-30 -5.52899518e-30]
 [ 1.54811865e-29 -4.42319614e-30 -4.42319614e-30]
 [-8.84639228e-30  8.84639228e-30  6.63479421e-30]
 [-8.84639228e-30  2.21159807e-30 -4.42319614e-30]
 [ 1.76927846e-29 -6.63479421e-30 -3.61539454e-47]
 [-3.83429142e-63 -2.21159807e-30 -2.21159807e-30]
 [-7.74059325e-30 -2.54333778e-29  7.74059325e-30]
 [ 6.63479421e-30 -7.23078908e-47 -1.32695884e-29]
 [-4.42319614e-30 -1.20513151e-47 -2.21159807e-30]]
stress =  [-9.34868493e-14 -9.34868493e-14 -9.34868493e-14 -1.43181366e-30
 -9.29319694e-34 -3.88071881e-51]
energy per atom =  -24.489340653055507
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0