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 15:28:50       -1.121764         3.246067
BFGS:    1 15:28:50       -1.377019         1.538887
BFGS:    2 15:28:50       -1.507212         0.460031
BFGS:    3 15:28:50       -1.519465         0.146000
BFGS:    4 15:28:50       -1.520516         0.074426
BFGS:    5 15:28:50       -1.520663         0.059176
BFGS:    6 15:28:51       -1.520749         0.022013
BFGS:    7 15:28:51       -1.520761         0.003270
BFGS:    8 15:28:51       -1.520762         0.000459
BFGS:    9 15:28:51       -1.520762         0.000038
BFGS:   10 15:28:51       -1.520762         0.000001
BFGS:   11 15:28:51       -1.520762         0.000000
BFGS:   12 15:28:51       -1.520762         0.000000
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