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 15:09:21     -121.807354         4.362095
BFGS:    1 15:09:21     -122.455126         4.273930
BFGS:    2 15:09:21     -123.089249         4.180082
BFGS:    3 15:09:21     -123.708854         4.080317
BFGS:    4 15:09:21     -124.313036         3.974393
BFGS:    5 15:09:21     -124.900852         3.862060
BFGS:    6 15:09:21     -125.471321         3.743056
BFGS:    7 15:09:21     -126.023422         3.617112
BFGS:    8 15:09:21     -126.556093         3.483945
BFGS:    9 15:09:21     -127.068230         3.343265
BFGS:   10 15:09:21     -127.558682         3.194768
BFGS:   11 15:09:21     -128.026254         3.038140
BFGS:   12 15:09:21     -128.469701         2.873054
BFGS:   13 15:09:22     -128.887730         2.699170
BFGS:   14 15:09:22     -129.278995         2.516137
BFGS:   15 15:09:22     -129.642095         2.323588
BFGS:   16 15:09:22     -129.975576         2.121144
BFGS:   17 15:09:22     -130.277924         1.908410
BFGS:   18 15:09:22     -130.547564         1.684976
BFGS:   19 15:09:22     -130.782861         1.450417
BFGS:   20 15:09:22     -130.982111         1.204290
BFGS:   21 15:09:22     -131.143546         0.946137
BFGS:   22 15:09:22     -131.265327         0.675480
BFGS:   23 15:09:22     -131.345541         0.391825
BFGS:   24 15:09:22     -131.382199         0.094656
BFGS:   25 15:09:22     -131.384396         0.002924
BFGS:   26 15:09:22     -131.384398         0.000021
BFGS:   27 15:09:22     -131.384398         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.5840282592183187e-30 eV/Angstrom
Maximum stress component: 8.024141847783987e-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 =  [[1.79591840e-33 0.00000000e+00 7.23374310e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.13097548e-33]
 [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]
 [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, 4.839096044536519e-33, -2.0853705470155241e-32], [-3.1592404342028136e-32, 10.898513631850268, 1.1068996014057201e-17], [-5.857930927323543e-33, 1.1068996014057228e-17, 10.898513631850268]])
forces =  [[-9.79522775e-31  8.45188223e-31  8.58409265e-49]
 [ 3.97406383e-31  1.79112736e-31 -3.20443879e-31]
 [-6.26894576e-31 -8.95563680e-32 -1.07467642e-30]
 [-4.47781840e-31 -3.24641834e-31 -1.33215097e-30]
 [-3.58225472e-31 -2.68669104e-31 -2.12696374e-31]
 [-3.58225472e-31  2.72871819e-49  2.68669104e-31]
 [-3.35836380e-31 -4.47781840e-31 -8.20000495e-31]
 [ 8.95563680e-32 -5.14949116e-31  5.37338208e-31]
 [ 2.23890920e-31 -2.23890920e-31  5.82116392e-31]
 [-1.34334552e-31  4.47781840e-31  1.11945460e-30]
 [-4.92560024e-31 -4.03003656e-31 -2.23890920e-31]
 [-4.47781840e-32  3.58225472e-31  3.63829092e-49]
 [ 9.85120048e-31 -6.04505484e-31 -7.38840036e-31]
 [ 1.79112736e-31  2.23890920e-31  5.82116392e-31]
 [-3.58225472e-31 -4.03003656e-31  4.47781840e-32]
 [ 4.47781840e-32 -2.79863650e-31  6.71672760e-31]
 [-4.47781840e-32 -1.11945460e-30 -9.40341864e-31]
 [ 4.47781840e-32  8.95563680e-32  5.37338208e-31]
 [ 1.43290189e-30 -1.79112736e-31 -1.07467642e-30]
 [-3.80614564e-31  2.68669104e-31 -8.28396404e-31]
 [-1.34334552e-31 -3.13447288e-31  6.71672760e-31]
 [ 5.65324573e-31 -6.12901394e-31  1.58402826e-30]
 [-8.06007312e-31 -3.13447288e-31  4.03003656e-31]
 [ 1.79112736e-31 -3.58225472e-31  3.58225472e-31]]
stress =  [ 8.02414185e-11  8.02414185e-11  8.02414185e-11 -1.97154663e-26
  5.53457968e-34 -1.29904624e-49]
energy per atom =  -5.474349921969548
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0