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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== 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 17:38:17        2.690474         6.812387
BFGS:    1 17:38:17        1.721904         6.110146
BFGS:    2 17:38:17        0.855039         5.455759
BFGS:    3 17:38:17        0.082931         4.846298
BFGS:    4 17:38:17       -0.600982         4.279473
BFGS:    5 17:38:17       -1.202949         3.753416
BFGS:    6 17:38:17       -1.730983         3.285986
BFGS:    7 17:38:17       -2.189114         2.829080
BFGS:    8 17:38:17       -2.581651         2.411055
BFGS:    9 17:38:17       -2.916780         2.047254
BFGS:   10 17:38:18       -3.196944         1.694392
BFGS:   11 17:38:18       -3.426879         1.377168
BFGS:   12 17:38:18       -3.611770         1.093467
BFGS:   13 17:38:18       -3.756500         0.841384
BFGS:   14 17:38:18       -3.865678         0.619156
BFGS:   15 17:38:18       -3.943655         0.425103
BFGS:   16 17:38:18       -3.994535         0.257571
BFGS:   17 17:38:18       -4.022169         0.114890
BFGS:   18 17:38:18       -4.029982         0.016895
BFGS:   19 17:38:18       -4.030172         0.001448
BFGS:   20 17:38:19       -4.030173         0.000021
BFGS:   21 17:38:19       -4.030173         0.000000
BFGS:   22 17:38:19       -4.030173         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.007890924097227e-31 eV/Angstrom
Maximum stress component: 2.1584148406224194e-14 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([[4.906189574002309, -6.219031940143513e-33, -1.0281322888936956e-32], [-3.9698351502798134e-32, 4.906189574002309, 3.84425524975319e-17], [-9.413892531256519e-33, 3.844255249753191e-17, 4.906189574002309]])
forces =  [[ 9.07101832e-32 -1.14983230e-64 -1.90090633e-64]
 [ 1.00789092e-31  4.73841043e-49  6.04734554e-32]
 [-4.03156370e-32  4.03156370e-32 -6.04734554e-32]
 [ 6.52426615e-64 -8.06312739e-32 -6.31788058e-49]]
stress =  [-2.15841484e-14 -2.15841484e-14 -2.15841484e-14  2.87532962e-30
 -3.41381946e-34  8.38571889e-51]
energy per atom =  -1.0075433586852567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0