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:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cs__MO_999639780744_004
==== 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 17:23:32       -2.966096         0.035246
BFGS:    1 17:23:32       -2.966132         0.034888
BFGS:    2 17:23:32       -2.968018         0.002686
BFGS:    3 17:23:32       -2.968024         0.002944
BFGS:    4 17:23:32       -2.968024         0.002879
BFGS:    5 17:23:32       -2.968024         0.002808
BFGS:    6 17:23:32       -2.968025         0.002422
BFGS:    7 17:23:32       -2.968026         0.001747
BFGS:    8 17:23:32       -2.968028         0.000856
BFGS:    9 17:23:33       -2.968029         0.000446
BFGS:   10 17:23:33       -2.968030         0.000103
BFGS:   11 17:23:33       -2.968030         0.000022
BFGS:   12 17:23:33       -2.968030         0.000001
BFGS:   13 17:23:33       -2.968030         0.000000
BFGS:   14 17:23:33       -2.968030         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.559810998453226e-33 eV/Angstrom
Maximum stress component: 5.2470416452611004e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[2.89371444e-34 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.83245180e-33 7.50000000e-01]]
cellpar =  Cell([[5.031641354650361, 8.322980259227644e-39, -6.369675853804446e-40], [4.844947651881547e-39, 5.031641354650361, 9.122696727543957e-19], [-4.1657218707951483e-54, 3.3436227913878306e-18, 18.483595464246413]])
forces =  [[-4.84529438e-34 -6.05661797e-34 -1.09810468e-52]
 [ 9.69058875e-34  7.26794157e-34  8.89952750e-34]
 [-2.42264719e-33  1.45358831e-33  2.63545122e-52]
 [-1.93811775e-33 -1.12047432e-33  3.55981100e-33]]
stress =  [-5.24704165e-12 -5.24704165e-12 -4.78338812e-12  3.75210704e-28
  1.33651081e-65 -2.03513997e-67]
energy per atom =  -0.7420074029763208
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0