element(s):
['Sn']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7273']
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 =  227
cell =  [[6.7273, 0, 0], [0, 6.7273, 0], [0, 0, 6.7273]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:29:46      -39.660949         5.715925
BFGS:    1 16:29:46      -40.513739         5.666728
BFGS:    2 16:29:46      -41.354654         5.539278
BFGS:    3 16:29:46      -42.173538         5.372122
BFGS:    4 16:29:46      -42.964035         5.159828
BFGS:    5 16:29:46      -43.718925         4.896295
BFGS:    6 16:29:46      -44.430020         4.574670
BFGS:    7 16:29:46      -45.088038         4.187255
BFGS:    8 16:29:46      -45.682476         3.725399
BFGS:    9 16:29:46      -46.201452         3.179384
BFGS:   10 16:29:46      -46.631540         2.538289
BFGS:   11 16:29:46      -46.957711         1.837682
BFGS:   12 16:29:46      -47.169921         0.970376
BFGS:   13 16:29:46      -47.241999         0.033486
BFGS:   14 16:29:46      -47.242077         0.002380
BFGS:   15 16:29:46      -47.242077         0.000005
BFGS:   16 16:29:46      -47.242077         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.381915487222523e-31 eV/Angstrom
Maximum stress component: 2.6081135631417643e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.97411201e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.182016115455956, 4.0265988426672704e-32, 5.981829354868241e-34], [-2.937827594308612e-35, 6.182016115455956, 5.9201166987818635e-18], [2.4417588329021296e-33, 5.920116698781866e-18, 6.182016115455956]])
forces =  [[ 1.01598976e-31  3.80996159e-31 -3.96870998e-31]
 [-5.07994878e-32  6.98492957e-32  2.53997439e-31]
 [ 5.07994878e-32  1.90498079e-31 -2.66697311e-31]
 [ 9.84240076e-32 -8.38191549e-31  2.53997439e-32]
 [-2.53997439e-32  8.12791805e-31 -2.23835243e-31]
 [-4.19095774e-31 -6.34993598e-31  2.03197951e-31]
 [ 1.40095462e-31 -5.47681978e-32 -2.55584923e-31]
 [-3.04796927e-31 -4.28620678e-31  7.61992317e-32]]
stress =  [-2.60811356e-11 -2.60811356e-11 -2.60811356e-11 -6.02694941e-28
 -2.15015087e-34 -6.16702907e-51]
energy per atom =  -5.905259647969818
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0