element(s):
['Li']
AFLOW prototype label:
A_hP1_191_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:
['2.9353', '0.92505025']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.9353, 0, 0], [-1.46765, 2.5420443677285, 0], [0, 0, 2.7153]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:38:11       -1.121764        3.2461
BFGS:    1 14:38:11       -1.377019        1.5389
BFGS:    2 14:38:11       -1.507212        0.4600
BFGS:    3 14:38:11       -1.519465        0.1460
BFGS:    4 14:38:11       -1.520516        0.0744
BFGS:    5 14:38:11       -1.520663        0.0592
BFGS:    6 14:38:11       -1.520749        0.0220
BFGS:    7 14:38:11       -1.520761        0.0033
BFGS:    8 14:38:11       -1.520762        0.0005
BFGS:    9 14:38:11       -1.520762        0.0000
BFGS:   10 14:38:11       -1.520762        0.0000
BFGS:   11 14:38:11       -1.520762        0.0000
BFGS:   12 14:38:11       -1.520762        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3071604145723037e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.2573484265174035, -2.37897764658387e-17, 2.389065270387665e-35], [-1.6286742132587018, 2.820946486341339, 4.026406599883912e-37], [9.775477400614878e-36, 4.1418850203913833e-35, 3.008224975418074]])
forces =  [[0. 0. 0.]]
stress =  [-9.40288118e-12 -9.40288118e-12 -1.30716041e-11 -1.94900839e-47
  5.50077192e-47  4.38164653e-27]
energy per atom =  -1.520762361669032
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0