element(s):
['Cs']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4396', '1.7485477', '1.6329142', '0.66118538']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0.         0.66118538 0.25      ]]
spacegroup =  63
cell =  [[5.4396, 0, 0], [0, 9.5114, 0], [0, 0, 8.8824]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:05:58       -0.310648         0.607810
BFGS:    1 14:05:58       -0.326070         0.629306
BFGS:    2 14:05:58       -0.425722         0.758108
BFGS:    3 14:05:59       -0.544632         0.892222
BFGS:    4 14:05:59       -0.683384         1.026499
BFGS:    5 14:05:59       -0.841807         1.155219
BFGS:    6 14:05:59       -1.018910         1.272512
BFGS:    7 14:05:59       -1.212858         1.372752
BFGS:    8 14:06:00       -1.421012         1.455897
BFGS:    9 14:06:00       -1.639988         1.517522
BFGS:   10 14:06:00       -1.865735         1.549588
BFGS:   11 14:06:00       -2.093588         1.548131
BFGS:   12 14:06:00       -2.318258         1.508861
BFGS:   13 14:06:00       -2.533795         1.426302
BFGS:   14 14:06:00       -2.732806         1.293088
BFGS:   15 14:06:01       -2.906415         1.099375
BFGS:   16 14:06:01       -3.044734         0.833400
BFGS:   17 14:06:01       -3.136407         0.475000
BFGS:   18 14:06:01       -3.167241         0.128327
BFGS:   19 14:06:01       -3.167687         0.083414
BFGS:   20 14:06:01       -3.168246         0.059672
BFGS:   21 14:06:01       -3.169613         0.061856
BFGS:   22 14:06:01       -3.170316         0.067566
BFGS:   23 14:06:01       -3.170625         0.061666
BFGS:   24 14:06:01       -3.170836         0.057004
BFGS:   25 14:06:02       -3.171263         0.076652
BFGS:   26 14:06:02       -3.171982         0.084369
BFGS:   27 14:06:02       -3.172892         0.069716
BFGS:   28 14:06:02       -3.173437         0.038226
BFGS:   29 14:06:02       -3.173551         0.013414
BFGS:   30 14:06:02       -3.173560         0.007095
BFGS:   31 14:06:02       -3.173562         0.006232
BFGS:   32 14:06:02       -3.173565         0.004902
BFGS:   33 14:06:02       -3.173568         0.002628
BFGS:   34 14:06:02       -3.173570         0.001023
BFGS:   35 14:06:02       -3.173570         0.000253
BFGS:   36 14:06:02       -3.173570         0.000030
BFGS:   37 14:06:03       -3.173570         0.000002
BFGS:   38 14:06:03       -3.173570         0.000000
BFGS:   39 14:06:03       -3.173570         0.000000
BFGS:   40 14:06:03       -3.173570         0.000000
Minimization converged after 40 steps.
Maximum force component: 1.2038385244174043e-09 eV/Angstrom
Maximum stress component: 8.474619663394418e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[1.76321713e-36 6.66666667e-01 2.50000000e-01]
 [0.00000000e+00 3.33333333e-01 7.50000000e-01]
 [5.00000000e-01 1.66666667e-01 2.50000000e-01]
 [5.00000000e-01 8.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[4.30539215909368, -1.984604941594245e-36, 0.0], [7.626601493320166e-36, 7.4571579649494035, 0.0], [0.0, 0.0, 7.030675950791011]])
forces =  [[ 1.23119246e-45  1.20383852e-09  0.00000000e+00]
 [-1.23119246e-45 -1.20383852e-09  0.00000000e+00]
 [ 1.23119246e-45  1.20383852e-09  0.00000000e+00]
 [-1.23119246e-45 -1.20383852e-09  0.00000000e+00]]
stress =  [ 6.75271197e-11  1.12780007e-11 -8.47461966e-11  0.00000000e+00
  0.00000000e+00  1.87458203e-37]
energy per atom =  -0.7933924694227321
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.