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 14:22:57      -20.305308        0.2941
BFGS:    1 14:22:57      -20.308163        0.1593
BFGS:    2 14:22:57      -20.309371        0.0038
BFGS:    3 14:22:57      -20.309372        0.0000
BFGS:    4 14:22:57      -20.309372        0.0000
BFGS:    5 14:22:57      -20.309372        0.0000
Minimization converged after 5 steps.
Maximum force component: 5.280241788897292e-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, 2.250761478456418e-32, -1.782780054251477e-33], [-2.5577089394923686e-32, 4.016101003827499, -2.235784614791123e-20], [9.236244263015721e-34, -2.2357846147914813e-20, 4.016101003827499]])
forces =  [[ 2.14611617e-63 -3.46515867e-31 -2.64012089e-31]
 [ 1.66038853e-31  5.28024179e-31 -2.64012089e-31]
 [ 3.79517379e-31 -2.06259445e-31 -1.32006045e-31]
 [ 1.79144781e-63 -2.64012089e-31  4.78521912e-31]]
stress =  [-4.90750615e-15 -4.90750615e-15 -4.90750615e-15  3.12395832e-31
  2.34549606e-64  1.38328407e-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