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 16:10:47      -14.020902        12.070944
BFGS:    1 16:10:47      -15.940293        13.525534
BFGS:    2 16:10:47      -18.077233        14.950985
BFGS:    3 16:10:47      -20.415816        16.176679
BFGS:    4 16:10:47      -22.908713        16.927455
BFGS:    5 16:10:47      -25.446041        16.731624
BFGS:    6 16:10:47      -27.829503        14.597427
BFGS:    7 16:10:47      -29.651601         8.945410
BFGS:    8 16:10:47      -30.221134         2.709688
BFGS:    9 16:10:47      -30.253813         0.748678
BFGS:   10 16:10:47      -30.256818         0.043668
BFGS:   11 16:10:47      -30.256828         0.000768
BFGS:   12 16:10:47      -30.256828         0.000001
BFGS:   13 16:10:47      -30.256828         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.569584289796183e-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, 1.1693793946442331e-32, 3.7378496272135087e-33], [1.3244011326419036e-32, 3.0599102205464908, -1.8772475837400462e-17], [2.3876121611842e-33, -1.8772475837400496e-17, 3.0599102205464908]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.56958429e-13  7.56958429e-13  7.56958429e-13  1.04895187e-28
 -4.29180688e-61 -4.17427058e-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