element(s):
['Cs']
AFLOW prototype label:
A_tI2_139_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:
['5.404', '1.4448557']
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 0]]
spacegroup =  139
cell =  [[5.404, 0, 0], [0, 5.404, 0], [0, 0, 7.808]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:18:38       -0.164528         0.629381
BFGS:    1 17:18:38       -0.181525         0.674385
BFGS:    2 17:18:38       -0.298847         0.937527
BFGS:    3 17:18:38       -0.455782         1.192109
BFGS:    4 17:18:38       -0.648635         1.410430
BFGS:    5 17:18:38       -0.867090         1.550267
BFGS:    6 17:18:39       -1.095011         1.565522
BFGS:    7 17:18:39       -1.310985         1.420460
BFGS:    8 17:18:39       -1.484749         1.061531
BFGS:    9 17:18:39       -1.578568         0.392716
BFGS:   10 17:18:39       -1.583619         0.184127
BFGS:   11 17:18:39       -1.584791         0.121002
BFGS:   12 17:18:39       -1.585156         0.118986
BFGS:   13 17:18:39       -1.586717         0.037314
BFGS:   14 17:18:39       -1.586783         0.006497
BFGS:   15 17:18:39       -1.586785         0.000758
BFGS:   16 17:18:39       -1.586785         0.000052
BFGS:   17 17:18:39       -1.586785         0.000003
BFGS:   18 17:18:39       -1.586785         0.000000
BFGS:   19 17:18:40       -1.586785         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.84099714933263e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.305392157957106, -8.67457582974167e-35, 1.2430045504503498e-32], [-7.594272646222404e-35, 4.305392157957109, 7.285200003428237e-17], [-8.738124099141332e-33, 1.0772369165434925e-16, 6.088743981332825]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.84099715e-12 -6.84099715e-12 -2.95702961e-12  9.49875498e-28
 -6.19777419e-35  1.66119901e-50]
energy per atom =  -0.7933924694227323
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.