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 17:42:35     -259.804853       32.0120
BFGS:    1 17:42:35     -273.375120       12.1407
BFGS:    2 17:42:35     -275.180148       11.3623
BFGS:    3 17:42:35     -276.835699       10.7335
BFGS:    4 17:42:35     -278.408085       10.1543
BFGS:    5 17:42:35     -279.901469        9.5733
BFGS:    6 17:42:35     -281.306726        8.9564
BFGS:    7 17:42:35     -282.612365        8.2822
BFGS:    8 17:42:35     -283.807181        7.5378
BFGS:    9 17:42:35     -284.880300        6.7159
BFGS:   10 17:42:35     -285.820728        5.8119
BFGS:   11 17:42:35     -286.617016        4.8220
BFGS:   12 17:42:35     -287.257088        3.7429
BFGS:   13 17:42:35     -287.728171        2.5706
BFGS:   14 17:42:35     -288.016742        1.3001
BFGS:   15 17:42:35     -288.108430        0.0759
BFGS:   16 17:42:35     -288.108776        0.0092
BFGS:   17 17:42:36     -288.108777        0.0011
BFGS:   18 17:42:36     -288.108777        0.0000
BFGS:   19 17:42:36     -288.108777        0.0000
BFGS:   20 17:42:36     -288.108777        0.0000
BFGS:   21 17:42:36     -288.108777        0.0000
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