element(s):
['Rb']
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:
['5.793', '0.92463318']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[5.793, 0, 0], [0, 5.793, 0], [0, 0, 5.3564]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:05:57       -1.642491         0.498197
BFGS:    1 14:05:57       -1.650675         0.457889
BFGS:    2 14:05:57       -1.683409         0.109015
BFGS:    3 14:05:57       -1.684393         0.147397
BFGS:    4 14:05:57       -1.684745         0.141541
BFGS:    5 14:05:57       -1.690289         0.052843
BFGS:    6 14:05:57       -1.691291         0.011458
BFGS:    7 14:05:57       -1.691328         0.001117
BFGS:    8 14:05:58       -1.691328         0.000023
BFGS:    9 14:05:58       -1.691328         0.000000
BFGS:   10 14:05:58       -1.691328         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5614994009903686e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.487757384332096, -2.610438919578875e-34, -7.251949072475362e-33], [1.08731446873818e-35, 5.487757384332094, -1.258661295167169e-17], [-9.102845527539006e-33, -1.1940560415123934e-17, 5.487757384212217]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.56149940e-12  2.56149940e-12  1.97384200e-12 -7.20810634e-28
 -1.27902984e-34  5.24077112e-50]
energy per atom =  -0.8456642074715407
===============================================
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_cI2_229_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.