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_1959MedCutoff_Rb__MO_147245690895_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 16:36:56       -0.871456        0.0216
BFGS:    1 16:36:56       -0.871468        0.0211
BFGS:    2 16:36:56       -0.871585        0.0115
BFGS:    3 16:36:56       -0.871606        0.0061
BFGS:    4 16:36:56       -0.871607        0.0059
BFGS:    5 16:36:56       -0.871621        0.0029
BFGS:    6 16:36:56       -0.871622        0.0031
BFGS:    7 16:36:56       -0.871622        0.0030
BFGS:    8 16:36:56       -0.871623        0.0029
BFGS:    9 16:36:56       -0.871625        0.0035
BFGS:   10 16:36:56       -0.871628        0.0037
BFGS:   11 16:36:56       -0.871633        0.0030
BFGS:   12 16:36:56       -0.871636        0.0016
BFGS:   13 16:36:56       -0.871637        0.0005
BFGS:   14 16:36:56       -0.871637        0.0002
BFGS:   15 16:36:56       -0.871637        0.0002
BFGS:   16 16:36:56       -0.871637        0.0002
BFGS:   17 16:36:56       -0.871637        0.0002
BFGS:   18 16:36:56       -0.871637        0.0001
BFGS:   19 16:36:56       -0.871637        0.0001
BFGS:   20 16:36:56       -0.871637        0.0001
BFGS:   21 16:36:56       -0.871637        0.0001
BFGS:   22 16:36:56       -0.871637        0.0001
BFGS:   23 16:36:56       -0.871637        0.0001
BFGS:   24 16:36:56       -0.871637        0.0001
BFGS:   25 16:36:56       -0.871637        0.0001
BFGS:   26 16:36:56       -0.871637        0.0001
BFGS:   27 16:36:56       -0.871637        0.0000
BFGS:   28 16:36:56       -0.871637        0.0000
BFGS:   29 16:36:56       -0.871637        0.0000
BFGS:   30 16:36:56       -0.871637        0.0000
BFGS:   31 16:36:56       -0.871637        0.0000
BFGS:   32 16:36:56       -0.871637        0.0000
BFGS:   33 16:36:56       -0.871637        0.0000
BFGS:   34 16:36:56       -0.871637        0.0000
BFGS:   35 16:36:56       -0.871637        0.0000
BFGS:   36 16:36:56       -0.871637        0.0000
BFGS:   37 16:36:56       -0.871637        0.0000
Minimization converged after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.725399756048119e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[5.035135874437225, 0.009515150150200711, -0.016138455808151903], [-0.009571389822829837, 5.035131041909444, -0.017554134075506076], [-2.501394174141598, -2.509888850608097, 3.5772097411093515]])
forces =  [[0. 0. 0.]]
stress =  [-2.50670903e-11  2.36226479e-11  9.12620601e-13 -2.72539976e-11
  1.05999118e-11  5.49685948e-12]
energy per atom =  -0.8716373269613423
===============================================
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.