element(s):
['Li']
AFLOW prototype label:
A_cP4_213_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0068']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li']
representative atom coordinates =  [[0.375 0.375 0.375]]
spacegroup =  213
cell =  [[4.0068, 0, 0], [0, 4.0068, 0], [0, 0, 4.0068]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:34        2.690474        6.8124
BFGS:    1 14:23:34        1.721904        6.1101
BFGS:    2 14:23:34        0.855039        5.4558
BFGS:    3 14:23:34        0.082931        4.8463
BFGS:    4 14:23:34       -0.600982        4.2795
BFGS:    5 14:23:34       -1.202949        3.7534
BFGS:    6 14:23:34       -1.730983        3.2860
BFGS:    7 14:23:34       -2.189114        2.8291
BFGS:    8 14:23:34       -2.581651        2.4111
BFGS:    9 14:23:34       -2.916780        2.0473
BFGS:   10 14:23:34       -3.196944        1.6944
BFGS:   11 14:23:34       -3.426879        1.3772
BFGS:   12 14:23:35       -3.611770        1.0935
BFGS:   13 14:23:35       -3.756500        0.8414
BFGS:   14 14:23:35       -3.865678        0.6192
BFGS:   15 14:23:35       -3.943655        0.4251
BFGS:   16 14:23:35       -3.994535        0.2576
BFGS:   17 14:23:35       -4.022169        0.1149
BFGS:   18 14:23:35       -4.029982        0.0169
BFGS:   19 14:23:35       -4.030172        0.0014
BFGS:   20 14:23:35       -4.030173        0.0000
BFGS:   21 14:23:35       -4.030173        0.0000
BFGS:   22 14:23:35       -4.030173        0.0000
Minimization converged after 22 steps.
Maximum force component: 2.141768213706608e-32 eV/Angstrom
Maximum stress component: 2.1502672478430118e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li']
basis =  [[0.375 0.375 0.375]
 [0.125 0.625 0.875]
 [0.625 0.875 0.125]
 [0.875 0.125 0.625]]
cellpar =  Cell([[4.90618957400231, 1.40797643646629e-32, 8.994712717465222e-34], [1.1356718731694606e-32, 4.90618957400231, 7.328594533068907e-18], [-3.988895064767458e-33, 7.328594533068909e-18, 4.90618957400231]])
forces =  [[ 1.86066156e-65  1.51183639e-32  2.01578185e-32]
 [ 5.03945462e-33  1.44622079e-65  9.23903283e-67]
 [-1.00789092e-32 -1.51183639e-32  2.14176821e-32]
 [ 1.63889759e-65 -3.01106339e-50 -2.01578185e-32]]
stress =  [-2.15026725e-14 -2.15026725e-14 -2.15026725e-14 -6.25971262e-31
 -3.63110894e-64  1.59080405e-62]
energy per atom =  -1.0075433586852567
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0