element(s):
['Li']
AFLOW prototype label:
A_cP4_213_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0068']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.375 0.375 0.375]]
spacegroup =  213
cell =  [[4.0068, 0, 0], [0, 4.0068, 0], [0, 0, 4.0068]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:27      -20.305308         0.294146
BFGS:    1 16:39:27      -20.308163         0.159262
BFGS:    2 16:39:27      -20.309371         0.003761
BFGS:    3 16:39:27      -20.309372         0.000050
BFGS:    4 16:39:27      -20.309372         0.000000
BFGS:    5 16:39:27      -20.309372         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.795173785769929e-31 eV/Angstrom
Maximum stress component: 4.9075061542455775e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.375 0.375 0.375]
 [0.125 0.625 0.875]
 [0.625 0.875 0.125]
 [0.875 0.125 0.625]]
cellpar =  Cell([[4.016101003827499, 2.2507614784519096e-32, -1.847481173539551e-33], [-2.6600134020583534e-32, 4.016101003827499, -2.235784614791072e-20], [1.1800191876313668e-33, -2.2357846147915833e-20, 4.016101003827499]])
forces =  [[ 1.56178724e-63 -2.47511334e-31 -2.64012089e-31]
 [-3.61985326e-31  2.64012089e-31  2.64012089e-31]
 [ 3.79517379e-31 -2.47511334e-31  1.32006045e-31]
 [-1.66865376e-63  2.64012089e-31  2.72262467e-31]]
stress =  [-4.90750615e-15 -4.90750615e-15 -4.90750615e-15 -2.15525221e-32
  1.31037509e-63  1.76159415e-62]
energy per atom =  -5.077342996425496
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0