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 15:44:55      -39.660949         5.715925
BFGS:    1 15:44:55      -40.513739         5.666728
BFGS:    2 15:44:55      -41.354654         5.539278
BFGS:    3 15:44:55      -42.173538         5.372122
BFGS:    4 15:44:55      -42.964035         5.159828
BFGS:    5 15:44:55      -43.718925         4.896295
BFGS:    6 15:44:55      -44.430020         4.574670
BFGS:    7 15:44:55      -45.088038         4.187255
BFGS:    8 15:44:55      -45.682476         3.725399
BFGS:    9 15:44:56      -46.201452         3.179384
BFGS:   10 15:44:56      -46.631540         2.538289
BFGS:   11 15:44:56      -46.957711         1.837682
BFGS:   12 15:44:56      -47.169921         0.970376
BFGS:   13 15:44:56      -47.241999         0.033486
BFGS:   14 15:44:56      -47.242077         0.002380
BFGS:   15 15:44:56      -47.242077         0.000005
BFGS:   16 15:44:56      -47.242077         0.000000
Minimization converged after 16 steps.
Maximum force component: 8.127918048215781e-31 eV/Angstrom
Maximum stress component: 2.608071820750077e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn', 'Sn']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 1.9938401e-33 5.0000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]]
cellpar =  Cell([[6.182016115455957, -5.7161485360308986e-33, -1.818998381751332e-32], [8.276621743055829e-33, 6.182016115455957, -7.897760601744161e-17], [-2.2180913076058073e-32, -7.897760601744164e-17, 6.182016115455957]])
forces =  [[ 1.26998720e-32  4.19095774e-31  2.79397183e-31]
 [ 1.01598976e-31 -7.61992317e-32 -1.26998720e-32]
 [ 1.01598976e-31 -2.53997439e-32  2.03197951e-31]
 [ 2.53997439e-31 -5.96893982e-31  2.53997439e-31]
 [-2.03197951e-31  2.53997439e-31  1.46048527e-31]
 [-4.44495518e-32 -8.12791805e-31 -1.52398463e-31]
 [-3.61946351e-31 -5.84194110e-31  3.27021703e-31]
 [ 1.52398463e-31  5.71494238e-32  2.03197951e-31]]
stress =  [-2.60807182e-11 -2.60807182e-11 -2.60807182e-11  5.20282298e-27
  1.14181789e-59 -5.43763727e-60]
energy per atom =  -5.905259647969808
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0