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 09:46:40      -31.425253         7.810534
BFGS:    1 09:46:40      -32.801187         7.933295
BFGS:    2 09:46:40      -34.056045         8.022714
BFGS:    3 09:46:40      -35.258002         8.057222
BFGS:    4 09:46:41      -36.410665         8.029298
BFGS:    5 09:46:41      -37.509726         7.927155
BFGS:    6 09:46:41      -38.543720         7.752683
BFGS:    7 09:46:41      -39.503121         7.509975
BFGS:    8 09:46:41      -40.383006         7.182293
BFGS:    9 09:46:41      -41.180568         6.772600
BFGS:   10 09:46:41      -41.897595         6.293546
BFGS:   11 09:46:41      -42.539810         5.758629
BFGS:   12 09:46:41      -43.113544         5.159836
BFGS:   13 09:46:41      -43.626831         4.508434
BFGS:   14 09:46:41      -44.086524         3.804847
BFGS:   15 09:46:41      -44.497031         3.045184
BFGS:   16 09:46:41      -44.859233         3.043609
BFGS:   17 09:46:41      -45.172894         3.001498
BFGS:   18 09:46:41      -45.424824         2.709944
BFGS:   19 09:46:41      -45.601471         1.977184
BFGS:   20 09:46:41      -45.678330         1.346571
BFGS:   21 09:46:41      -45.716219         0.985398
BFGS:   22 09:46:41      -45.739311         0.378599
BFGS:   23 09:46:41      -45.741390         0.207516
BFGS:   24 09:46:41      -45.742797         0.068998
BFGS:   25 09:46:41      -45.742951         0.023111
BFGS:   26 09:46:42      -45.742966         0.006381
BFGS:   27 09:46:42      -45.742969         0.005871
BFGS:   28 09:46:42      -45.742975         0.007879
BFGS:   29 09:46:42      -45.742978         0.005718
BFGS:   30 09:46:42      -45.742978         0.001730
BFGS:   31 09:46:42      -45.742978         0.000527
BFGS:   32 09:46:42      -45.742978         0.000188
BFGS:   33 09:46:42      -45.742978         0.000028
BFGS:   34 09:46:42      -45.742978         0.000003
BFGS:   35 09:46:42      -45.742978         0.000000
BFGS:   36 09:46:42      -45.742978         0.000000
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.