element(s):
['Se']
AFLOW prototype label:
A_cF24_227_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.4799']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se', 'Se']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.125 0.125 0.125]]
spacegroup =  227
cell =  [[11.4799, 0, 0], [0, 11.4799, 0], [0, 0, 11.4799]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:01:32     -121.807354         4.362095
BFGS:    1 15:01:32     -122.455126         4.273930
BFGS:    2 15:01:32     -123.089249         4.180082
BFGS:    3 15:01:32     -123.708854         4.080317
BFGS:    4 15:01:32     -124.313036         3.974393
BFGS:    5 15:01:32     -124.900852         3.862060
BFGS:    6 15:01:32     -125.471321         3.743056
BFGS:    7 15:01:32     -126.023422         3.617112
BFGS:    8 15:01:32     -126.556093         3.483945
BFGS:    9 15:01:32     -127.068230         3.343265
BFGS:   10 15:01:32     -127.558682         3.194768
BFGS:   11 15:01:32     -128.026254         3.038140
BFGS:   12 15:01:32     -128.469701         2.873054
BFGS:   13 15:01:32     -128.887730         2.699170
BFGS:   14 15:01:32     -129.278995         2.516137
BFGS:   15 15:01:32     -129.642095         2.323588
BFGS:   16 15:01:32     -129.975576         2.121144
BFGS:   17 15:01:32     -130.277924         1.908410
BFGS:   18 15:01:32     -130.547564         1.684976
BFGS:   19 15:01:32     -130.782861         1.450417
BFGS:   20 15:01:32     -130.982111         1.204290
BFGS:   21 15:01:32     -131.143546         0.946137
BFGS:   22 15:01:32     -131.265327         0.675480
BFGS:   23 15:01:32     -131.345541         0.391825
BFGS:   24 15:01:32     -131.382199         0.094656
BFGS:   25 15:01:32     -131.384396         0.002924
BFGS:   26 15:01:33     -131.384398         0.000021
BFGS:   27 15:01:33     -131.384398         0.000000
Minimization converged after 27 steps.
Maximum force component: 4.2987056645924695e-30 eV/Angstrom
Maximum stress component: 8.024149518004169e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 1.93181012e-34 1.07176201e-33]
 [1.86347103e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.82743869e-33]
 [5.00000000e-01 1.13097548e-33 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]
 [1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]]
cellpar =  Cell([[10.898513631850268, -5.267716395339047e-33, 4.5465503616725846e-32], [3.7667196070994367e-33, 10.898513631850268, -5.749490433350585e-17], [3.285229228562575e-32, -5.749490433350586e-17, 10.898513631850268]])
forces =  [[ 7.16450944e-31 -3.58225472e-31 -5.37338208e-31]
 [ 1.79112736e-31 -5.37338208e-31 -2.68669104e-31]
 [ 3.58225472e-31  3.58225472e-31 -7.16450944e-31]
 [ 5.37338208e-31 -8.95563680e-32 -5.37338208e-31]
 [-7.16450944e-31  7.16450944e-31  4.03003656e-31]
 [ 3.80614564e-31  1.07467642e-30 -5.66943528e-48]
 [-5.14949116e-31 -1.56723644e-31  4.47781840e-31]
 [-4.47781840e-32 -6.71672760e-32 -1.11945460e-30]
 [-1.79112736e-30 -1.79112736e-31 -7.16450944e-31]
 [ 1.25378915e-30  4.29870566e-30  1.79112736e-31]
 [-2.23890920e-31 -2.35085466e-31 -7.05256398e-31]
 [-3.84130502e-63 -1.79112736e-31 -1.25378915e-30]
 [-2.14935283e-30  2.68669104e-31 -8.06007312e-31]
 [ 1.34334552e-31  1.09706551e-30 -4.47781840e-32]
 [-1.25378915e-30  1.79112736e-30  1.25378915e-30]
 [-1.97024010e-30 -5.37338208e-31 -2.23890920e-30]
 [-2.14935283e-30  3.76136746e-30 -3.58225472e-31]
 [ 6.60478214e-31  1.81351645e-30 -6.71672760e-32]
 [-1.97024010e-30 -2.86580378e-30 -1.43290189e-30]
 [-2.35085466e-31  2.51877285e-31 -1.67918190e-30]
 [-2.32846557e-30  5.37338208e-31 -1.97024010e-30]
 [ 8.06007312e-31  1.07467642e-30  1.79112736e-31]
 [ 1.79112736e-31  8.95563680e-31 -5.37338208e-31]
 [-1.43290189e-30  1.79112736e-31 -8.95563680e-31]]
stress =  [8.02414952e-11 8.02414952e-11 8.02414952e-11 1.86502063e-26
 1.42976572e-58 8.47655909e-60]
energy per atom =  -5.474349921969551
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0