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_000
==== 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 16:36:33       -0.310648        0.6078
BFGS:    1 16:36:34       -0.326070        0.6293
BFGS:    2 16:36:34       -0.425722        0.7581
BFGS:    3 16:36:34       -0.544632        0.8922
BFGS:    4 16:36:34       -0.683384        1.0265
BFGS:    5 16:36:34       -0.841807        1.1552
BFGS:    6 16:36:34       -1.018910        1.2725
BFGS:    7 16:36:34       -1.212858        1.3728
BFGS:    8 16:36:34       -1.421012        1.4559
BFGS:    9 16:36:34       -1.639988        1.5175
BFGS:   10 16:36:34       -1.865735        1.5496
BFGS:   11 16:36:34       -2.093588        1.5481
BFGS:   12 16:36:34       -2.318258        1.5089
BFGS:   13 16:36:34       -2.533795        1.4263
BFGS:   14 16:36:34       -2.732806        1.2931
BFGS:   15 16:36:34       -2.906415        1.0994
BFGS:   16 16:36:35       -3.044734        0.8334
BFGS:   17 16:36:35       -3.136407        0.4750
BFGS:   18 16:36:35       -3.167241        0.1283
BFGS:   19 16:36:35       -3.167687        0.0834
BFGS:   20 16:36:35       -3.168246        0.0597
BFGS:   21 16:36:35       -3.169613        0.0619
BFGS:   22 16:36:35       -3.170316        0.0676
BFGS:   23 16:36:35       -3.170625        0.0617
BFGS:   24 16:36:35       -3.170836        0.0570
BFGS:   25 16:36:35       -3.171263        0.0767
BFGS:   26 16:36:35       -3.171982        0.0844
BFGS:   27 16:36:35       -3.172892        0.0697
BFGS:   28 16:36:35       -3.173437        0.0382
BFGS:   29 16:36:35       -3.173551        0.0134
BFGS:   30 16:36:36       -3.173560        0.0071
BFGS:   31 16:36:36       -3.173562        0.0062
BFGS:   32 16:36:36       -3.173565        0.0049
BFGS:   33 16:36:36       -3.173568        0.0026
BFGS:   34 16:36:36       -3.173570        0.0010
BFGS:   35 16:36:36       -3.173570        0.0003
BFGS:   36 16:36:36       -3.173570        0.0000
BFGS:   37 16:36:36       -3.173570        0.0000
BFGS:   38 16:36:36       -3.173570        0.0000
BFGS:   39 16:36:36       -3.173570        0.0000
BFGS:   40 16:36:36       -3.173570        0.0000
Minimization converged after 40 steps.
Maximum force component: 1.2038379025732483e-09 eV/Angstrom
Maximum stress component: 8.474633591022911e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 6.66666667e-01 2.50000000e-01]
 [6.22648459e-36 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, 5.82868297200276e-37, 0.0], [1.4273577319455147e-35, 7.457157964949401, 0.0], [0.0, 0.0, 7.030675950791009]])
forces =  [[ 2.30423889e-45  1.20383790e-09  1.73319544e-31]
 [-2.30423889e-45 -1.20383790e-09 -1.73319544e-31]
 [ 2.30423889e-45  1.20383790e-09  8.66597718e-32]
 [-2.30423889e-45 -1.20383790e-09 -8.66597718e-32]]
stress =  [ 6.75270439e-11  1.12778776e-11 -8.47463359e-11  0.00000000e+00
  0.00000000e+00  4.79892999e-35]
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.