element(s):
['Na', 'O']
AFLOW prototype label:
AB2_oP6_58_a_g
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2852', '1.3017129', '0.81097732', '0.87934512', '0.57767058']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.87934512 0.57767058 0.        ]]
spacegroup =  58
cell =  [[4.2852, 0, 0], [0, 5.5781, 0], [0, 0, 3.4752]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:33:18      -48.523058         9.374796
BFGS:    1 13:33:18      -49.457503         7.901398
BFGS:    2 13:33:18      -50.508547         7.851677
BFGS:    3 13:33:18      -51.523970         7.422004
BFGS:    4 13:33:18      -52.458873         7.021412
BFGS:    5 13:33:18      -53.303534         6.424349
BFGS:    6 13:33:18      -54.033073         5.740779
BFGS:    7 13:33:18      -54.635899         4.926199
BFGS:    8 13:33:18      -55.111847         4.031903
BFGS:    9 13:33:18      -55.475237         3.422919
BFGS:   10 13:33:19      -55.751993         3.080977
BFGS:   11 13:33:19      -55.974764         2.823617
BFGS:   12 13:33:19      -56.172287         2.657652
BFGS:   13 13:33:19      -56.361306         2.523006
BFGS:   14 13:33:19      -56.548771         3.233561
BFGS:   15 13:33:19      -56.736228         3.886510
BFGS:   16 13:33:19      -56.923339         4.495822
BFGS:   17 13:33:19      -57.108349         5.355452
BFGS:   18 13:33:19      -57.291068         6.413514
BFGS:   19 13:33:19      -57.470098         7.440301
BFGS:   20 13:33:19      -57.646256         8.463857
BFGS:   21 13:33:19      -57.819075         9.433018
BFGS:   22 13:33:19      -57.990472        10.391295
BFGS:   23 13:33:19      -58.162004        11.241376
BFGS:   24 13:33:19      -58.334679        12.105442
BFGS:   25 13:33:19      -58.508796        12.775942
BFGS:   26 13:33:19      -58.691778        13.580486
BFGS:   27 13:33:19      -58.876302        13.974357
BFGS:   28 13:33:19      -59.076383        14.693982
BFGS:   29 13:33:19      -59.283769        14.937169
BFGS:   30 13:33:19      -59.516119        15.317432
BFGS:   31 13:33:19      -59.773424        15.417078
BFGS:   32 13:33:19      -60.069181        15.463509
BFGS:   33 13:33:19      -60.411886        15.293232
BFGS:   34 13:33:19      -60.817657        14.966013
BFGS:   35 13:33:19      -61.318183        14.365875
BFGS:   36 13:33:19      -61.968178        13.403057
BFGS:   37 13:33:19      -62.828648        11.814762
BFGS:   38 13:33:19      -63.803460         9.613770
BFGS:   39 13:33:19      -65.007563         6.191087
BFGS:   40 13:33:19      -65.911305         3.973051
BFGS:   41 13:33:19      -66.562700         3.791655
BFGS:   42 13:33:19      -67.110557         4.435596
BFGS:   43 13:33:19      -67.555614         4.410548
BFGS:   44 13:33:19      -67.842105         3.998584
BFGS:   45 13:33:19      -68.037522         3.435493
BFGS:   46 13:33:19      -68.179542         2.793753
BFGS:   47 13:33:19      -68.287084         2.112626
BFGS:   48 13:33:19      -68.369373         1.481430
BFGS:   49 13:33:19      -68.426986         1.417548
BFGS:   50 13:33:19      -68.455474         0.737280
BFGS:   51 13:33:19      -68.465857         0.515532
BFGS:   52 13:33:20      -68.470156         0.204861
BFGS:   53 13:33:20      -68.470619         0.048356
BFGS:   54 13:33:20      -68.470657         0.009911
BFGS:   55 13:33:20      -68.470662         0.006994
BFGS:   56 13:33:20      -68.470663         0.002493
BFGS:   57 13:33:20      -68.470663         0.000286
BFGS:   58 13:33:20      -68.470663         0.000049
BFGS:   59 13:33:20      -68.470663         0.000004
BFGS:   60 13:33:20      -68.470663         0.000000
BFGS:   61 13:33:20      -68.470663         0.000000
BFGS:   62 13:33:20      -68.470663         0.000000
Minimization converged after 62 steps.
Maximum force component: 2.501426228105404e-09 eV/Angstrom
Maximum stress component: 1.2619703240669522e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.00000000e+00 6.13704646e-01 1.77029507e-35]
 [9.94927217e-13 3.86295354e-01 0.00000000e+00]
 [5.00000000e-01 1.13704646e-01 5.00000000e-01]
 [5.00000000e-01 8.86295354e-01 5.00000000e-01]]
cellpar =  Cell([[3.0985285045092565, 4.182958656407761e-34, 0.0], [-4.97825005582029e-34, 5.769145026669522, 0.0], [0.0, 0.0, 3.0985285045300843]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.76542578e-10  2.50142623e-09  0.00000000e+00]
 [-1.76542578e-10 -2.50142623e-09  0.00000000e+00]
 [-1.76542578e-10  2.50142623e-09  0.00000000e+00]
 [ 1.76542578e-10 -2.50142623e-09  0.00000000e+00]]
stress =  [-2.48332278e-11 -1.26197032e-10  6.80836850e-12  0.00000000e+00
  0.00000000e+00 -4.41299547e-32]
energy per atom =  -11.411777128773679
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB2_oP6_58_a_g, while relaxed is AB2_tI6_139_a_e. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.