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 16:09:52      -56.668833       21.6943
BFGS:    1 16:09:52      -59.765183       19.6414
BFGS:    2 16:09:52      -62.560836       17.6578
BFGS:    3 16:09:52      -65.069458       15.8128
BFGS:    4 16:09:52      -67.311143       14.0972
BFGS:    5 16:09:53      -69.304650       12.5024
BFGS:    6 16:09:53      -71.067500       11.0204
BFGS:    7 16:09:53      -72.616052        9.6439
BFGS:    8 16:09:53      -73.968210        8.3876
BFGS:    9 16:09:53      -75.136221        7.2007
BFGS:   10 16:09:53      -76.132718        6.0997
BFGS:   11 16:09:53      -76.970148        5.0789
BFGS:   12 16:09:53      -77.660138        4.1330
BFGS:   13 16:09:53      -78.213547        3.2570
BFGS:   14 16:09:53      -78.640518        2.4464
BFGS:   15 16:09:53      -78.950597        1.6995
BFGS:   16 16:09:54      -79.152880        1.0068
BFGS:   17 16:09:54      -79.255292        0.3673
BFGS:   18 16:09:54      -79.271975        0.0227
BFGS:   19 16:09:54      -79.272041        0.0006
BFGS:   20 16:09:54      -79.272041        0.0000
BFGS:   21 16:09:54      -79.272041        0.0000
Minimization converged after 21 steps.
Maximum force component: 9.238972748497435e-30 eV/Angstrom
Maximum stress component: 2.0724755168348524e-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]
 [3.43230057e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.57628459e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.980488178787248, -4.372435883158922e-32, -9.60875681998142e-33], [8.06312740207333e-33, 5.980488178787248, -1.565127138520109e-17], [7.661732861483427e-33, -1.5651271385201106e-17, 5.980488178787248]])
forces =  [[-2.94860832e-30 -5.50406887e-30 -8.25610331e-30]
 [ 3.93147777e-30  1.17944333e-30 -1.17944333e-30]
 [ 6.09379054e-30  9.23897275e-30 -9.82869441e-31]
 [-4.12805165e-30  4.91434721e-30 -4.52119943e-30]
 [-2.75203444e-30 -9.04239886e-30 -5.50406887e-30]
 [ 9.23897275e-30  3.93147777e-30 -4.32462554e-30]
 [ 2.94860832e-30  4.91434721e-30  4.91434721e-30]
 [-2.16231277e-30 -9.82869441e-31  9.82869441e-31]
 [ 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 =  [-2.07247552e-12 -2.07247552e-12 -2.07247552e-12 -9.85415767e-30
 -1.72312662e-34  1.29915723e-51]
energy per atom =  -6.606003441133622
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0