element(s):
['Sn']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8036']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Sn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.8036, 0, 0], [0, 3.8036, 0], [0, 0, 3.8036]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:09:19      -14.020902       12.0709
BFGS:    1 18:09:19      -15.940293       13.5255
BFGS:    2 18:09:19      -18.077233       14.9510
BFGS:    3 18:09:19      -20.415816       16.1767
BFGS:    4 18:09:19      -22.908713       16.9275
BFGS:    5 18:09:19      -25.446041       16.7316
BFGS:    6 18:09:19      -27.829503       14.5974
BFGS:    7 18:09:19      -29.651601        8.9454
BFGS:    8 18:09:19      -30.221134        2.7097
BFGS:    9 18:09:19      -30.253813        0.7487
BFGS:   10 18:09:19      -30.256818        0.0437
BFGS:   11 18:09:19      -30.256828        0.0008
BFGS:   12 18:09:19      -30.256828        0.0000
BFGS:   13 18:09:19      -30.256828        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.569584289796178e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.0599102205464908, -2.862749535203767e-32, 2.356716345754393e-32], [-2.0529328808324643e-32, 3.0599102205464908, -3.918153633723781e-17], [-8.447165572710281e-33, -3.918153633723782e-17, 3.0599102205464908]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.56958429e-13  7.56958429e-13  7.56958429e-13 -6.31415393e-29
  2.18298537e-60  8.44337682e-61]
energy per atom =  -15.12841416957091
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0