element(s):
['Rb']
AFLOW prototype label:
A_aP1_2_a
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9755', '1.0048236', '1.004904', '119.5488', '119.4172', '90.2172']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  2
cell =  [[4.9755, 0, 0], [-0.018952334856333, 4.999464077179, 0], [-2.4557772181876, -2.4751013479451, 3.5835780418503]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:51:44       -0.776452         0.107850
BFGS:    1 14:51:44       -0.776889         0.108059
BFGS:    2 14:51:44       -0.780769         0.047676
BFGS:    3 14:51:44       -0.781519         0.007458
BFGS:    4 14:51:44       -0.781521         0.007690
BFGS:    5 14:51:44       -0.781543         0.009175
BFGS:    6 14:51:44       -0.781562         0.008499
BFGS:    7 14:51:44       -0.781577         0.006230
BFGS:    8 14:51:44       -0.781580         0.004909
BFGS:    9 14:51:44       -0.781582         0.004983
BFGS:   10 14:51:44       -0.781583         0.005289
BFGS:   11 14:51:44       -0.781587         0.005250
BFGS:   12 14:51:44       -0.781593         0.004205
BFGS:   13 14:51:44       -0.781599         0.002439
BFGS:   14 14:51:44       -0.781600         0.000888
BFGS:   15 14:51:44       -0.781601         0.000204
BFGS:   16 14:51:44       -0.781601         0.000156
BFGS:   17 14:51:44       -0.781601         0.000146
BFGS:   18 14:51:44       -0.781601         0.000126
BFGS:   19 14:51:44       -0.781601         0.000101
BFGS:   20 14:51:44       -0.781601         0.000076
BFGS:   21 14:51:44       -0.781601         0.000071
BFGS:   22 14:51:44       -0.781601         0.000069
BFGS:   23 14:51:44       -0.781601         0.000067
BFGS:   24 14:51:44       -0.781601         0.000062
BFGS:   25 14:51:44       -0.781601         0.000053
BFGS:   26 14:51:44       -0.781601         0.000049
BFGS:   27 14:51:44       -0.781601         0.000045
BFGS:   28 14:51:44       -0.781601         0.000025
BFGS:   29 14:51:44       -0.781601         0.000006
BFGS:   30 14:51:44       -0.781601         0.000002
BFGS:   31 14:51:44       -0.781601         0.000002
BFGS:   32 14:51:44       -0.781601         0.000002
BFGS:   33 14:51:44       -0.781601         0.000001
BFGS:   34 14:51:44       -0.781601         0.000001
BFGS:   35 14:51:44       -0.781601         0.000000
BFGS:   36 14:51:44       -0.781601         0.000000
BFGS:   37 14:51:44       -0.781601         0.000000
BFGS:   38 14:51:44       -0.781601         0.000000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.034254545617292e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[5.170812398058094, 0.00977200657047369, -0.016670222638586994], [-0.009830468706867233, 5.170807363022457, -0.01813378087639777], [-2.5687276566015624, -2.5774448509371934, 3.673702556412144]])
forces =  [[0. 0. 0.]]
stress =  [-1.49909567e-12  3.68357743e-12 -1.73168119e-12 -1.77215027e-11
  2.03425455e-11 -5.07419313e-12]
energy per atom =  -0.7816006198185572
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_aP1_2_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.