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_001
==== 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 13:03:27       -6.077960        14.906860
BFGS:    1 13:03:28       -7.867499         9.606856
BFGS:    2 13:03:28       -8.965459         6.263807
BFGS:    3 13:03:28       -9.542268         3.615738
BFGS:    4 13:03:28       -9.851395         1.816477
BFGS:    5 13:03:28       -9.931433         0.273957
BFGS:    6 13:03:29       -9.934957         0.041059
BFGS:    7 13:03:29       -9.935053         0.009203
BFGS:    8 13:03:29       -9.935058         0.009761
BFGS:    9 13:03:29       -9.935077         0.015716
BFGS:   10 13:03:29       -9.935100         0.020099
BFGS:   11 13:03:29       -9.935134         0.018866
BFGS:   12 13:03:30       -9.935155         0.011407
BFGS:   13 13:03:30       -9.935160         0.002530
BFGS:   14 13:03:30       -9.935160         0.000162
BFGS:   15 13:03:30       -9.935160         0.000016
BFGS:   16 13:03:30       -9.935160         0.000001
BFGS:   17 13:03:31       -9.935160         0.000000
BFGS:   18 13:03:31       -9.935160         0.000000
BFGS:   19 13:03:31       -9.935160         0.000000
Minimization converged after 19 steps.
Maximum force component: 9.320241176058452e-10 eV/Angstrom
Maximum stress component: 7.626999373044182e-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([[4.82149636244847, -2.535787137284768e-17, -5.9732201687422854e-36], [-2.410748181224235, 4.17553833413464, -4.137263320005103e-35], [-1.1615593316446519e-35, -2.4085508523562872e-34, 7.862896295593058]])
forces =  [[-1.37684769e-45 -2.85496194e-44  9.32023903e-10]
 [-3.96196873e-32 -6.86233115e-32  9.32023903e-10]
 [ 3.96196873e-32  6.86233115e-32 -9.32024118e-10]
 [-7.92393747e-32  1.37246623e-31 -9.32024118e-10]]
stress =  [-3.55371233e-11 -3.55371233e-11 -7.62699937e-11  3.12855786e-35
  5.41882116e-35  3.99839937e-28]
energy per atom =  -2.483789974061292
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0