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_000
==== 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 14:58:53       -2.638866        2.1377
BFGS:    1 14:58:53       -2.816473        1.7655
BFGS:    2 14:58:53       -3.038886        1.2503
BFGS:    3 14:58:53       -3.188145        0.7998
BFGS:    4 14:58:53       -3.274070        0.4201
BFGS:    5 14:58:53       -3.308720        0.1038
BFGS:    6 14:58:53       -3.310666        0.0263
BFGS:    7 14:58:54       -3.310722        0.0313
BFGS:    8 14:58:54       -3.310751        0.0319
BFGS:    9 14:58:54       -3.310837        0.0260
BFGS:   10 14:58:54       -3.310895        0.0137
BFGS:   11 14:58:54       -3.310918        0.0032
BFGS:   12 14:58:54       -3.310921        0.0007
BFGS:   13 14:58:54       -3.310921        0.0001
BFGS:   14 14:58:54       -3.310921        0.0000
BFGS:   15 14:58:54       -3.310921        0.0000
BFGS:   16 14:58:54       -3.310921        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.146859415235682e-32 eV/Angstrom
Maximum stress component: 3.727405630949428e-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([[3.439862989750304, -4.507366259096117e-18, -1.3143310464419724e-36], [-1.719931494875152, 2.9790087346616536, -3.9842000872858455e-36], [2.271106955488687e-35, 1.0879212644875331e-34, 5.582657380227489]])
forces =  [[-1.76664937e-33  3.05992647e-33 -1.14685942e-32]
 [ 1.76664937e-33 -3.05992647e-33  1.14685942e-32]]
stress =  [-3.72740563e-11 -3.72740563e-11  1.33651031e-12 -6.79389995e-34
 -1.06976181e-34  7.17878634e-27]
energy per atom =  -1.6554604024177644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0