element(s):
['Cs']
AFLOW prototype label:
A_tI4_141_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:
['5.0985', '3.6231244']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[5.0985, 0, 0], [0, 5.0985, 0], [0, 0, 18.4725]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:45       -8.648746         2.982467
BFGS:    1 09:47:45       -8.965602         2.995539
BFGS:    2 09:47:45       -9.328874         2.965338
BFGS:    3 09:47:45       -9.676761         2.879185
BFGS:    4 09:47:45      -10.000982         2.722129
BFGS:    5 09:47:45      -10.292635         2.477750
BFGS:    6 09:47:45      -10.541749         2.118128
BFGS:    7 09:47:45      -10.736816         1.625158
BFGS:    8 09:47:45      -10.864157         0.958893
BFGS:    9 09:47:45      -10.908791         0.071673
BFGS:   10 09:47:45      -10.908983         0.068073
BFGS:   11 09:47:45      -10.909285         0.014183
BFGS:   12 09:47:45      -10.909291         0.001377
BFGS:   13 09:47:45      -10.909291         0.000062
BFGS:   14 09:47:45      -10.909291         0.000002
BFGS:   15 09:47:45      -10.909291         0.000000
BFGS:   16 09:47:45      -10.909291         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.256198364774824e-32 eV/Angstrom
Maximum stress component: 2.550231420885813e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.0000000e+00 4.0745426e-33 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [0.0000000e+00 5.0000000e-01 2.5000000e-01]
 [5.0000000e-01 0.0000000e+00 7.5000000e-01]]
cellpar =  Cell([[4.65896773079779, 4.757564219994273e-36, 4.362593571156639e-40], [3.4487499148677925e-36, 4.65896773079779, -1.0890879799951482e-16], [-6.310060254337955e-40, -3.967916701864387e-16, 16.405583734421235]])
forces =  [[ 3.58913819e-33 -3.58913819e-33  8.39002861e-50]
 [ 3.58913819e-33 -8.97284546e-33  6.31920099e-33]
 [ 3.58913819e-33 -1.25619836e-32  2.93651001e-49]
 [-1.79456909e-33  2.69185364e-33 -6.29252146e-50]]
stress =  [-1.47376146e-12 -1.47376146e-12 -2.55023142e-12 -9.28993372e-29
  1.15957197e-51  6.63557613e-65]
energy per atom =  -2.7273227283314125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0