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_001
==== 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 16:53:03       -1.121764         3.246067
BFGS:    1 16:53:03       -1.377019         1.538887
BFGS:    2 16:53:03       -1.507212         0.460031
BFGS:    3 16:53:04       -1.519465         0.146000
BFGS:    4 16:53:04       -1.520516         0.074426
BFGS:    5 16:53:04       -1.520663         0.059176
BFGS:    6 16:53:04       -1.520749         0.022013
BFGS:    7 16:53:04       -1.520761         0.003270
BFGS:    8 16:53:04       -1.520762         0.000459
BFGS:    9 16:53:04       -1.520762         0.000038
BFGS:   10 16:53:04       -1.520762         0.000001
BFGS:   11 16:53:04       -1.520762         0.000000
BFGS:   12 16:53:04       -1.520762         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3071301532394181e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.2573484265174035, -2.3009944375810247e-17, 1.4205769330470514e-36], [-1.6286742132587018, 2.820946486341339, -7.823354922407816e-36], [-1.966200612060259e-34, -5.4452725767150045e-34, 3.0082249754180754]])
forces =  [[0. 0. 0.]]
stress =  [-9.40288520e-12 -9.40288520e-12 -1.30713015e-11  1.39354750e-45
  4.74881670e-46  2.74290131e-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