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 16:21:22       -8.648746         2.982467
BFGS:    1 16:21:22       -8.965602         2.995539
BFGS:    2 16:21:22       -9.328874         2.965338
BFGS:    3 16:21:22       -9.676761         2.879185
BFGS:    4 16:21:22      -10.000982         2.722129
BFGS:    5 16:21:22      -10.292635         2.477750
BFGS:    6 16:21:22      -10.541749         2.118128
BFGS:    7 16:21:22      -10.736816         1.625158
BFGS:    8 16:21:22      -10.864157         0.958893
BFGS:    9 16:21:22      -10.908791         0.071673
BFGS:   10 16:21:22      -10.908983         0.068073
BFGS:   11 16:21:22      -10.909285         0.014183
BFGS:   12 16:21:22      -10.909291         0.001377
BFGS:   13 16:21:22      -10.909291         0.000062
BFGS:   14 16:21:22      -10.909291         0.000002
BFGS:   15 16:21:22      -10.909291         0.000000
BFGS:   16 16:21:22      -10.909291         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.5276803975419213e-32 eV/Angstrom
Maximum stress component: 2.5505014166987067e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[1.38442884e-32 2.03576814e-33 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 8.01959642e-33 7.50000000e-01]]
cellpar =  Cell([[4.658967730797791, 2.9674628192208077e-37, 4.3625935711559714e-40], [1.7506731807613402e-36, 4.658967730797791, 9.764324866330715e-19], [-6.310060254336757e-40, 3.284467881369921e-18, 16.405583734421228]])
forces =  [[-9.53364830e-34 -1.34592682e-33 -2.82081085e-52]
 [-1.57024796e-33  8.97284546e-34 -1.57980025e-33]
 [ 3.36481705e-34  6.16883126e-34  2.52768040e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.47367167e-12 -1.47367167e-12 -2.55050142e-12  3.84298305e-31
  1.00790381e-35  1.09277150e-54]
energy per atom =  -2.7273227283314134
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0