element(s):
['I', 'Li']
AFLOW prototype label:
AB_hP4_194_c_a
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:
['4.2428', '1.644645']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Li']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]]
spacegroup =  194
cell =  [[4.2428, 0, 0], [-2.1214, 3.6743725831766, 0], [0, 0, 6.9779]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:48:25      -10.753401        1.3708
BFGS:    1 15:48:25      -10.792417        0.8168
BFGS:    2 15:48:25      -10.810131        0.2368
BFGS:    3 15:48:25      -10.811294        0.1363
BFGS:    4 15:48:25      -10.812766        0.1423
BFGS:    5 15:48:25      -10.813914        0.0981
BFGS:    6 15:48:25      -10.814338        0.0332
BFGS:    7 15:48:25      -10.814388        0.0070
BFGS:    8 15:48:25      -10.814390        0.0004
BFGS:    9 15:48:25      -10.814390        0.0000
BFGS:   10 15:48:25      -10.814390        0.0000
BFGS:   11 15:48:25      -10.814390        0.0000
Minimization converged after 11 steps.
Maximum force component: 5.301984748069561e-32 eV/Angstrom
Maximum stress component: 2.603879451925558e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'Li', 'Li']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333354e-09 0.00000000e+00]
 [9.99999997e-01 3.33333354e-09 5.00000000e-01]]
cellpar =  Cell([[4.257362134224517, 4.000440526375523e-18, 6.553675738667417e-37], [-2.1286810671122587, 3.686983761348368, -3.160382318936342e-36], [-6.0354234492949775e-37, 1.7264827614338758e-38, 7.106685100530436]])
forces =  [[ 4.37300332e-32 -4.54455836e-32  4.16473960e-68]
 [-3.06110232e-32  5.30198475e-32 -4.54471729e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.06514409e-10 -1.06514409e-10 -2.60387945e-10  1.00355431e-32
  3.30103521e-46 -2.14792617e-26]
energy per atom =  -2.7035975377358663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0