element(s):
['Na', 'O']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5716']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na', 'O']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.5716, 0, 0], [0, 5.5716, 0], [0, 0, 5.5716]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:02      -56.668833        21.694261
BFGS:    1 16:09:02      -59.765183        19.641450
BFGS:    2 16:09:02      -62.560836        17.657820
BFGS:    3 16:09:02      -65.069458        15.812791
BFGS:    4 16:09:02      -67.311143        14.097171
BFGS:    5 16:09:02      -69.304650        12.502388
BFGS:    6 16:09:02      -71.067500        11.020446
BFGS:    7 16:09:02      -72.616052         9.643880
BFGS:    8 16:09:02      -73.968210         8.387572
BFGS:    9 16:09:02      -75.136221         7.200719
BFGS:   10 16:09:02      -76.132718         6.099725
BFGS:   11 16:09:02      -76.970148         5.078919
BFGS:   12 16:09:02      -77.660138         4.133008
BFGS:   13 16:09:03      -78.213547         3.257047
BFGS:   14 16:09:03      -78.640518         2.446416
BFGS:   15 16:09:03      -78.950597         1.699494
BFGS:   16 16:09:03      -79.152880         1.006785
BFGS:   17 16:09:03      -79.255292         0.367289
BFGS:   18 16:09:03      -79.271975         0.022682
BFGS:   19 16:09:03      -79.272041         0.000559
BFGS:   20 16:09:03      -79.272041         0.000001
BFGS:   21 16:09:03      -79.272041         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.86267690442499e-29 eV/Angstrom
Maximum stress component: 2.0760630497949744e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.37292023e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.08478263e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.980488178787246, 2.865077920701675e-32, 1.3430896214278939e-33], [3.0638460534091477e-32, 5.980488178787246, -3.7539569853639e-18], [-5.4457251394458145e-34, -3.7539569853638935e-18, 5.980488178787246]])
forces =  [[ 1.52344763e-29 -1.90676672e-29  2.01488235e-29]
 [-1.86745194e-30  2.30974319e-29  5.79892970e-30]
 [ 1.96573888e-29 -2.26059972e-29 -2.92895094e-29]
 [-1.17944333e-30  2.10334060e-29 -3.23364046e-29]
 [-6.88008609e-31 -2.19179885e-29 -6.97837303e-30]
 [-1.18927202e-29  8.05952942e-30 -2.32940058e-29]
 [-1.17944333e-29  9.43554664e-30  3.16483960e-29]
 [-1.96573888e-30 -1.78882238e-29  3.86267690e-29]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.07606305e-12 -2.07606305e-12 -2.07606305e-12 -4.92047274e-30
  4.59500432e-34 -8.60413332e-52]
energy per atom =  -6.606003441133616
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0