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_000
==== 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 14:30:39       -0.164528        0.6294
BFGS:    1 14:30:39       -0.181525        0.6744
BFGS:    2 14:30:39       -0.298847        0.9375
BFGS:    3 14:30:39       -0.455782        1.1921
BFGS:    4 14:30:39       -0.648635        1.4104
BFGS:    5 14:30:40       -0.867090        1.5503
BFGS:    6 14:30:40       -1.095011        1.5655
BFGS:    7 14:30:40       -1.310985        1.4205
BFGS:    8 14:30:40       -1.484749        1.0615
BFGS:    9 14:30:40       -1.578568        0.3927
BFGS:   10 14:30:40       -1.583619        0.1841
BFGS:   11 14:30:40       -1.584791        0.1210
BFGS:   12 14:30:40       -1.585156        0.1190
BFGS:   13 14:30:40       -1.586717        0.0373
BFGS:   14 14:30:40       -1.586783        0.0065
BFGS:   15 14:30:40       -1.586785        0.0008
BFGS:   16 14:30:40       -1.586785        0.0001
BFGS:   17 14:30:41       -1.586785        0.0000
BFGS:   18 14:30:41       -1.586785        0.0000
BFGS:   19 14:30:41       -1.586785        0.0000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.841007716285762e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.305392157957107, 2.8539179798153874e-35, 2.979494667829206e-32], [-2.950036109621644e-35, 4.305392157957106, -7.156538290759788e-17], [-1.6109727103228683e-32, -1.0725428659562612e-16, 6.088743981332827]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.84100772e-12 -6.84100772e-12 -2.95698007e-12 -1.10836803e-27
 -2.45280201e-45 -1.00669132e-60]
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.