element(s):
['Li', 'S']
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:
['5.7213']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'S']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.7213, 0, 0], [0, 5.7213, 0], [0, 0, 5.7213]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:02     -101.185508        10.516614
BFGS:    1 16:09:02     -102.760663        10.482172
BFGS:    2 16:09:02     -104.329129        10.427113
BFGS:    3 16:09:02     -105.887668        10.349465
BFGS:    4 16:09:02     -107.432733        10.247093
BFGS:    5 16:09:02     -108.965571        10.186873
BFGS:    6 16:09:02     -110.482224        10.030028
BFGS:    7 16:09:03     -111.972972         9.841017
BFGS:    8 16:09:03     -113.432775         9.616921
BFGS:    9 16:09:03     -114.856136         9.354577
BFGS:   10 16:09:03     -116.239056         9.068020
BFGS:   11 16:09:03     -117.573688         8.719188
BFGS:   12 16:09:03     -118.852346         8.321009
BFGS:   13 16:09:03     -120.067308         7.869158
BFGS:   14 16:09:03     -121.210176         7.358953
BFGS:   15 16:09:03     -122.271823         6.785328
BFGS:   16 16:09:03     -123.242330         6.142804
BFGS:   17 16:09:03     -124.110924         5.425452
BFGS:   18 16:09:03     -124.865904         4.626852
BFGS:   19 16:09:03     -125.497318         3.759085
BFGS:   20 16:09:03     -125.989639         2.783315
BFGS:   21 16:09:03     -126.327074         1.697804
BFGS:   22 16:09:03     -126.493350         0.499667
BFGS:   23 16:09:03     -126.507980         0.035522
BFGS:   24 16:09:03     -126.508052         0.000672
BFGS:   25 16:09:03     -126.508052         0.000001
BFGS:   26 16:09:03     -126.508052         0.000000
Minimization converged after 26 steps.
Maximum force component: 5.567176144512013e-29 eV/Angstrom
Maximum stress component: 1.7043413187546635e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'S', 'S', 'S', 'S']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   1.   1.  ]
 [0.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]]
cellpar =  Cell([[5.187553456294224, 2.1200181447619857e-32, 8.337649311240738e-33], [2.5323193370286745e-32, 5.187553456294224, 9.719122120334425e-19], [-8.910437900471095e-33, 9.719122120334533e-19, 5.187553456294224]])
forces =  [[-1.53459679e-30 -3.22265327e-29 -1.27883066e-31]
 [-3.02656590e-30  2.09728228e-29  5.56717614e-29]
 [-6.41546715e-30 -3.52957262e-29 -9.37809151e-30]
 [ 4.43327963e-30  1.76052354e-29 -2.67701885e-29]
 [ 3.23970434e-30 -1.38113711e-29  9.20758076e-30]
 [ 8.73867618e-31  2.09301952e-29 -1.04011560e-29]
 [ 5.11532264e-31  1.99923860e-29 -1.57722448e-30]
 [ 1.19357528e-30 -1.27883066e-29 -8.95181463e-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 =  [-1.70434132e-12 -1.70434132e-12 -1.70434132e-12  3.90962567e-30
 -3.05354293e-34 -2.87976084e-52]
energy per atom =  -10.542337672529017
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0