element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:41     -259.804853        32.012005
BFGS:    1 15:55:41     -273.375120        12.140697
BFGS:    2 15:55:41     -275.180148        11.362271
BFGS:    3 15:55:42     -276.835699        10.733460
BFGS:    4 15:55:42     -278.408085        10.154339
BFGS:    5 15:55:42     -279.901469         9.573278
BFGS:    6 15:55:42     -281.306726         8.956401
BFGS:    7 15:55:42     -282.612365         8.282152
BFGS:    8 15:55:42     -283.807181         7.537780
BFGS:    9 15:55:42     -284.880300         6.715900
BFGS:   10 15:55:42     -285.820728         5.811857
BFGS:   11 15:55:42     -286.617016         4.822041
BFGS:   12 15:55:42     -287.257088         3.742943
BFGS:   13 15:55:42     -287.728171         2.570604
BFGS:   14 15:55:42     -288.016742         1.300142
BFGS:   15 15:55:42     -288.108430         0.075872
BFGS:   16 15:55:42     -288.108776         0.009160
BFGS:   17 15:55:42     -288.108777         0.001083
BFGS:   18 15:55:42     -288.108777         0.000049
BFGS:   19 15:55:42     -288.108777         0.000000
BFGS:   20 15:55:42     -288.108777         0.000000
BFGS:   21 15:55:42     -288.108777         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.2508669689433687e-10 eV/Angstrom
Maximum stress component: 9.87411959144609e-12 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 =  [[0.15842252 0.15842252 0.15842252]
 [0.84157748 0.84157748 0.15842252]
 [0.84157748 0.15842252 0.84157748]
 [0.15842252 0.84157748 0.84157748]
 [0.15842252 0.15842252 0.84157748]
 [0.84157748 0.84157748 0.84157748]
 [0.15842252 0.84157748 0.15842252]
 [0.84157748 0.15842252 0.15842252]
 [0.65842252 0.65842252 0.65842252]
 [0.34157748 0.34157748 0.65842252]
 [0.34157748 0.65842252 0.34157748]
 [0.65842252 0.34157748 0.34157748]
 [0.65842252 0.65842252 0.34157748]
 [0.34157748 0.34157748 0.34157748]
 [0.65842252 0.34157748 0.65842252]
 [0.34157748 0.65842252 0.65842252]]
cellpar =  Cell([[4.6580339898751335, 3.3923722501283836e-32, -4.0092653883617894e-32], [2.407002080657095e-32, 4.6580339898751335, -2.848151783796305e-17], [-2.0968401852555707e-32, -2.8481517837963075e-17, 4.6580339898751335]])
forces =  [[ 2.25086697e-10  2.25086697e-10  2.25086697e-10]
 [-2.25086697e-10 -2.25086697e-10  2.25086697e-10]
 [-2.25086697e-10  2.25086697e-10 -2.25086697e-10]
 [ 2.25086697e-10 -2.25086697e-10 -2.25086697e-10]
 [ 2.25086697e-10  2.25086697e-10 -2.25086697e-10]
 [-2.25086697e-10 -2.25086697e-10 -2.25086697e-10]
 [ 2.25086697e-10 -2.25086697e-10  2.25086697e-10]
 [-2.25086697e-10  2.25086697e-10  2.25086697e-10]
 [ 2.25086697e-10  2.25086697e-10  2.25086697e-10]
 [-2.25086697e-10 -2.25086697e-10  2.25086697e-10]
 [-2.25086697e-10  2.25086697e-10 -2.25086697e-10]
 [ 2.25086697e-10 -2.25086697e-10 -2.25086697e-10]
 [ 2.25086697e-10  2.25086697e-10 -2.25086697e-10]
 [-2.25086697e-10 -2.25086697e-10 -2.25086697e-10]
 [ 2.25086697e-10 -2.25086697e-10  2.25086697e-10]
 [-2.25086697e-10  2.25086697e-10  2.25086697e-10]]
stress =  [ 9.87411959e-12  9.87411959e-12  9.87411959e-12  2.04615398e-28
 -3.02979944e-32  3.98199211e-48]
energy per atom =  -18.006798579671944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0