element(s):
['I', 'Li']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5674', '1.6257608', '0.875439', '0.499561']
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 0.375439  ]
 [0.33333333 0.66666667 0.999561  ]]
spacegroup =  186
cell =  [[4.5674, 0, 0], [-2.2837, 3.955484429245, 0], [0, 0, 7.4255]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:27:13       -6.077960        14.906860
BFGS:    1 11:27:13       -7.867499         9.606856
BFGS:    2 11:27:13       -8.965459         6.263807
BFGS:    3 11:27:13       -9.542268         3.615738
BFGS:    4 11:27:14       -9.851395         1.816477
BFGS:    5 11:27:14       -9.931433         0.273957
BFGS:    6 11:27:14       -9.934957         0.041059
BFGS:    7 11:27:14       -9.935053         0.009203
BFGS:    8 11:27:14       -9.935058         0.009761
BFGS:    9 11:27:14       -9.935077         0.015716
BFGS:   10 11:27:14       -9.935100         0.020099
BFGS:   11 11:27:15       -9.935134         0.018866
BFGS:   12 11:27:15       -9.935155         0.011407
BFGS:   13 11:27:15       -9.935160         0.002530
BFGS:   14 11:27:15       -9.935160         0.000162
BFGS:   15 11:27:15       -9.935160         0.000016
BFGS:   16 11:27:15       -9.935160         0.000001
BFGS:   17 11:27:15       -9.935160         0.000000
BFGS:   18 11:27:15       -9.935160         0.000000
BFGS:   19 11:27:16       -9.935160         0.000000
Minimization converged after 19 steps.
Maximum force component: 9.320209222452025e-10 eV/Angstrom
Maximum stress component: 7.627028119529967e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'Li', 'Li']
basis =  [[0.33333333 0.66666667 0.37517819]
 [0.66666666 0.33333334 0.87517819]
 [0.33333333 0.66666667 0.99982181]
 [0.66666666 0.33333334 0.49982181]]
cellpar =  Cell([[4.821496362448469, 1.84946811839383e-17, -1.2998253225596854e-35], [-2.4107481812242346, 4.175538334134641, -5.442259995108373e-35], [-2.0609633790159536e-35, -9.070041230530388e-36, 7.862896295593059]])
forces =  [[ 3.16957499e-31  5.48986492e-31  9.32020811e-10]
 [ 6.33914998e-31 -1.07267695e-45  9.32020811e-10]
 [ 2.47813266e-45  1.09797298e-30 -9.32020922e-10]
 [-2.21870249e-30  5.48986492e-31 -9.32020922e-10]]
stress =  [-3.55375345e-11 -3.55375345e-11 -7.62702812e-11 -5.00569257e-34
 -8.67011386e-34 -3.65993667e-27]
energy per atom =  -2.4837899740612923
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0