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 15:59:27       -0.871456         0.021600
BFGS:    1 15:59:27       -0.871468         0.021129
BFGS:    2 15:59:27       -0.871585         0.011456
BFGS:    3 15:59:27       -0.871606         0.006104
BFGS:    4 15:59:27       -0.871607         0.005919
BFGS:    5 15:59:27       -0.871621         0.002911
BFGS:    6 15:59:27       -0.871622         0.003098
BFGS:    7 15:59:27       -0.871622         0.002967
BFGS:    8 15:59:27       -0.871623         0.002934
BFGS:    9 15:59:27       -0.871625         0.003475
BFGS:   10 15:59:27       -0.871628         0.003709
BFGS:   11 15:59:27       -0.871633         0.003033
BFGS:   12 15:59:27       -0.871636         0.001621
BFGS:   13 15:59:27       -0.871637         0.000460
BFGS:   14 15:59:27       -0.871637         0.000230
BFGS:   15 15:59:27       -0.871637         0.000225
BFGS:   16 15:59:27       -0.871637         0.000223
BFGS:   17 15:59:27       -0.871637         0.000193
BFGS:   18 15:59:27       -0.871637         0.000137
BFGS:   19 15:59:27       -0.871637         0.000104
BFGS:   20 15:59:27       -0.871637         0.000104
BFGS:   21 15:59:27       -0.871637         0.000105
BFGS:   22 15:59:28       -0.871637         0.000102
BFGS:   23 15:59:28       -0.871637         0.000094
BFGS:   24 15:59:28       -0.871637         0.000078
BFGS:   25 15:59:28       -0.871637         0.000075
BFGS:   26 15:59:28       -0.871637         0.000066
BFGS:   27 15:59:28       -0.871637         0.000033
BFGS:   28 15:59:28       -0.871637         0.000008
BFGS:   29 15:59:28       -0.871637         0.000005
BFGS:   30 15:59:28       -0.871637         0.000005
BFGS:   31 15:59:28       -0.871637         0.000004
BFGS:   32 15:59:28       -0.871637         0.000003
BFGS:   33 15:59:28       -0.871637         0.000002
BFGS:   34 15:59:28       -0.871637         0.000001
BFGS:   35 15:59:28       -0.871637         0.000000
BFGS:   36 15:59:28       -0.871637         0.000000
BFGS:   37 15:59:28       -0.871637         0.000000
Minimization converged after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.725400400354669e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[5.035135874437221, 0.009515150150145785, -0.01613845580823719], [-0.00957138982278164, 5.03513104190944, -0.017554134075182606], [-2.50139417414156, -2.5098888506082973, 3.5772097411092365]])
forces =  [[0. 0. 0.]]
stress =  [-2.50671129e-11  2.36226253e-11  9.12607386e-13 -2.72540040e-11
  1.05999095e-11  5.49685456e-12]
energy per atom =  -0.8716373269613421
===============================================
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.