element(s):
['Li']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0565', '1.639326']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0565, 0, 0], [-1.52825, 2.6470066466671, 0], [0, 0, 5.0106]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:04:22       -2.638866         2.137673
BFGS:    1 13:04:22       -2.816473         1.765549
BFGS:    2 13:04:22       -3.038886         1.250301
BFGS:    3 13:04:22       -3.188145         0.799796
BFGS:    4 13:04:22       -3.274070         0.420099
BFGS:    5 13:04:22       -3.308720         0.103765
BFGS:    6 13:04:22       -3.310666         0.026285
BFGS:    7 13:04:22       -3.310722         0.031295
BFGS:    8 13:04:22       -3.310751         0.031935
BFGS:    9 13:04:22       -3.310837         0.025966
BFGS:   10 13:04:22       -3.310895         0.013660
BFGS:   11 13:04:22       -3.310918         0.003250
BFGS:   12 13:04:22       -3.310921         0.000652
BFGS:   13 13:04:23       -3.310921         0.000065
BFGS:   14 13:04:23       -3.310921         0.000004
BFGS:   15 13:04:23       -3.310921         0.000000
BFGS:   16 13:04:23       -3.310921         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.1199792436958431e-32 eV/Angstrom
Maximum stress component: 3.727437717839928e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.439862989750302, -8.788995523711649e-17, 7.52969071099991e-37], [-1.719931494875151, 2.9790087346616514, 4.3616850572112084e-36], [1.1670345332702676e-36, -3.6456368153594793e-35, 5.582657380227489]])
forces =  [[-2.11997924e-32  1.22397059e-32  5.73429708e-33]
 [ 1.05998962e-32 -6.11985294e-33 -5.73429708e-33]]
stress =  [-3.72743772e-11 -3.72743772e-11  1.33637276e-12  2.47050907e-34
 -5.41457764e-48 -6.67605460e-28]
energy per atom =  -1.6554604024177637
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Hexagonal Close Packed" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.