element(s):
['Li']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3176']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.3176, 0, 0], [0, 4.3176, 0], [0, 0, 4.3176]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:01:44       -5.214156        2.1573
BFGS:    1 17:01:44       -5.404562        1.9635
BFGS:    2 17:01:44       -5.676953        1.6729
BFGS:    3 17:01:44       -5.907696        1.4075
BFGS:    4 17:01:44       -6.100276        1.1636
BFGS:    5 17:01:44       -6.257719        0.9387
BFGS:    6 17:01:44       -6.382746        0.7312
BFGS:    7 17:01:44       -6.477883        0.5400
BFGS:    8 17:01:44       -6.545533        0.3646
BFGS:    9 17:01:45       -6.588009        0.2043
BFGS:   10 17:01:45       -6.607544        0.0586
BFGS:   11 17:01:45       -6.609421        0.0040
BFGS:   12 17:01:45       -6.609430        0.0001
BFGS:   13 17:01:45       -6.609430        0.0000
BFGS:   14 17:01:45       -6.609430        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.802007303667063e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.44738722e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.859924719579259, 1.5739040829944697e-32, 1.0004648971250636e-35], [1.5835083690878447e-32, 4.859924719579259, 1.2938803990630428e-17], [-1.0582783712301248e-33, 1.293880399063043e-17, 4.859924719579259]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.80200730e-13 -1.80200730e-13 -1.80200730e-13  4.56019465e-30
 -2.71806693e-36  3.32468870e-53]
energy per atom =  -1.652357472840834
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0