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:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Rb__MO_147245690895_004
==== 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 17:10:10       -1.741331        0.0243
BFGS:    1 17:10:10       -1.741342        0.0241
BFGS:    2 17:10:10       -1.742378        0.0112
BFGS:    3 17:10:10       -1.742704        0.0125
BFGS:    4 17:10:10       -1.742745        0.0125
BFGS:    5 17:10:10       -1.742752        0.0122
BFGS:    6 17:10:10       -1.742791        0.0096
BFGS:    7 17:10:10       -1.742827        0.0073
BFGS:    8 17:10:10       -1.742858        0.0033
BFGS:    9 17:10:10       -1.742870        0.0005
BFGS:   10 17:10:10       -1.742871        0.0002
BFGS:   11 17:10:10       -1.742871        0.0000
BFGS:   12 17:10:10       -1.742871        0.0000
BFGS:   13 17:10:10       -1.742871        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.631541472837636e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.644781560036108, -2.5874972016765685e-34, 1.3999998541661403e-34], [-2.743694836674041e-34, 5.644781560036106, -8.969825805576922e-19], [-1.984129691024264e-32, -9.569623582454488e-19, 5.644781540045525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.80565230e-12  2.80565230e-12 -9.63154147e-12 -3.12403933e-27
 -1.66218324e-35 -5.33185565e-51]
energy per atom =  -0.8714356719248816
===============================================
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.