element(s):
['Li']
AFLOW prototype label:
A_oP6_51_ak
Parameter names:
['a', 'b/a', 'c/a', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8644', '1.0712434', '0.49788555', '0.30413694', '0.51007836']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'Li']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.25       0.30413694 0.51007836]]
spacegroup =  51
cell =  [[5.8644, 0, 0], [0, 6.2822, 0], [0, 0, 2.9198]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:04:20      -31.425253        7.8105
BFGS:    1 17:04:20      -32.801187        7.9333
BFGS:    2 17:04:20      -34.056045        8.0227
BFGS:    3 17:04:20      -35.258002        8.0572
BFGS:    4 17:04:20      -36.410665        8.0293
BFGS:    5 17:04:20      -37.509726        7.9272
BFGS:    6 17:04:20      -38.543720        7.7527
BFGS:    7 17:04:20      -39.503121        7.5100
BFGS:    8 17:04:20      -40.383006        7.1823
BFGS:    9 17:04:20      -41.180568        6.7726
BFGS:   10 17:04:20      -41.897595        6.2935
BFGS:   11 17:04:20      -42.539810        5.7586
BFGS:   12 17:04:20      -43.113544        5.1598
BFGS:   13 17:04:20      -43.626831        4.5084
BFGS:   14 17:04:20      -44.086524        3.8048
BFGS:   15 17:04:20      -44.497031        3.0452
BFGS:   16 17:04:20      -44.859233        3.0436
BFGS:   17 17:04:20      -45.172894        3.0015
BFGS:   18 17:04:20      -45.424824        2.7099
BFGS:   19 17:04:20      -45.601471        1.9772
BFGS:   20 17:04:20      -45.678330        1.3466
BFGS:   21 17:04:20      -45.716219        0.9854
BFGS:   22 17:04:20      -45.739311        0.3786
BFGS:   23 17:04:20      -45.741390        0.2075
BFGS:   24 17:04:20      -45.742797        0.0690
BFGS:   25 17:04:20      -45.742951        0.0231
BFGS:   26 17:04:20      -45.742966        0.0064
BFGS:   27 17:04:20      -45.742969        0.0059
BFGS:   28 17:04:21      -45.742975        0.0079
BFGS:   29 17:04:21      -45.742978        0.0057
BFGS:   30 17:04:21      -45.742978        0.0017
BFGS:   31 17:04:21      -45.742978        0.0005
BFGS:   32 17:04:21      -45.742978        0.0002
BFGS:   33 17:04:21      -45.742978        0.0000
BFGS:   34 17:04:21      -45.742978        0.0000
BFGS:   35 17:04:21      -45.742978        0.0000
BFGS:   36 17:04:21      -45.742978        0.0000
Minimization converged after 36 steps.
Maximum force component: 3.238089196649614e-09 eV/Angstrom
Maximum stress component: 6.201589890865956e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 4.42905207e-52 0.00000000e+00]
 [2.50000000e-01 2.99519777e-01 5.00000000e-01]
 [2.50000000e-01 7.00480223e-01 5.00000000e-01]
 [7.50000000e-01 2.99519777e-01 5.00000000e-01]
 [7.50000000e-01 7.00480223e-01 5.00000000e-01]]
cellpar =  Cell([[4.920889172230824, 2.4381967080282494e-36, 0.0], [1.4509224543264313e-34, 6.03462020349681, 0.0], [0.0, 0.0, 2.4604445861864175]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.78543830e-44  3.23808920e-09 -1.56134714e-09]
 [-7.78543830e-44 -3.23808920e-09 -1.56134714e-09]
 [ 7.78543830e-44  3.23808920e-09  1.56134714e-09]
 [-7.78543830e-44 -3.23808920e-09  1.56134714e-09]]
stress =  [-6.20158989e-10 -3.71153489e-10 -2.80622605e-10  0.00000000e+00
  0.00000000e+00  1.49042749e-45]
energy per atom =  -7.623829702876574
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP6_51_ak, while relaxed is A_tP3_123_ah. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.