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 16:42:05     -267.688736       24.3739
BFGS:    1 16:42:05     -271.357405       24.5399
BFGS:    2 16:42:05     -275.050141       24.6946
BFGS:    3 16:42:05     -278.765161       24.8368
BFGS:    4 16:42:05     -282.500521       24.9656
BFGS:    5 16:42:05     -286.254107       25.0797
BFGS:    6 16:42:05     -290.023628       25.1778
BFGS:    7 16:42:05     -293.806596       25.2587
BFGS:    8 16:42:05     -297.600320       25.3210
BFGS:    9 16:42:05     -301.401893       25.3631
BFGS:   10 16:42:05     -305.208173       25.3835
BFGS:   11 16:42:05     -309.015773       25.3804
BFGS:   12 16:42:05     -312.821043       25.3521
BFGS:   13 16:42:05     -316.620054       25.2967
BFGS:   14 16:42:05     -320.414160       25.2907
BFGS:   15 16:42:05     -324.199608       25.1765
BFGS:   16 16:42:05     -327.965429       25.0286
BFGS:   17 16:42:06     -331.706395       24.8447
BFGS:   18 16:42:06     -335.416899       24.6220
BFGS:   19 16:42:06     -339.090930       24.3579
BFGS:   20 16:42:06     -342.722049       24.0494
BFGS:   21 16:42:06     -346.303358       23.6932
BFGS:   22 16:42:06     -349.827478       23.2862
BFGS:   23 16:42:06     -353.286510       22.8248
BFGS:   24 16:42:06     -356.672010       22.3052
BFGS:   25 16:42:06     -359.974949       21.7233
BFGS:   26 16:42:06     -363.185679       21.0750
BFGS:   27 16:42:06     -366.304379       20.5200
BFGS:   28 16:42:06     -369.324027       19.7289
BFGS:   29 16:42:06     -372.219004       18.8569
BFGS:   30 16:42:06     -374.976783       17.8986
BFGS:   31 16:42:06     -377.583994       16.8483
BFGS:   32 16:42:06     -380.026375       15.6998
BFGS:   33 16:42:06     -382.288708       14.4466
BFGS:   34 16:42:06     -384.354768       13.0816
BFGS:   35 16:42:06     -386.207249       11.5976
BFGS:   36 16:42:07     -387.827704        9.9866
BFGS:   37 16:42:07     -389.196466        8.2403
BFGS:   38 16:42:07     -390.292576        6.3497
BFGS:   39 16:42:07     -391.129001        4.5654
BFGS:   40 16:42:07     -391.650803        2.3639
BFGS:   41 16:42:07     -391.829446        0.0119
BFGS:   42 16:42:07     -391.829450        0.0005
BFGS:   43 16:42:07     -391.829450        0.0000
BFGS:   44 16:42:07     -391.829450        0.0000
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