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_1959HighCutoff_Rb__MO_908110223949_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 16:35:13       -0.890116        0.0138
BFGS:    1 16:35:13       -0.890122        0.0134
BFGS:    2 16:35:13       -0.890197        0.0046
BFGS:    3 16:35:13       -0.890197        0.0045
BFGS:    4 16:35:13       -0.890206        0.0043
BFGS:    5 16:35:13       -0.890207        0.0033
BFGS:    6 16:35:13       -0.890207        0.0031
BFGS:    7 16:35:13       -0.890210        0.0025
BFGS:    8 16:35:13       -0.890213        0.0031
BFGS:    9 16:35:13       -0.890218        0.0028
BFGS:   10 16:35:13       -0.890221        0.0014
BFGS:   11 16:35:13       -0.890221        0.0006
BFGS:   12 16:35:13       -0.890221        0.0004
BFGS:   13 16:35:13       -0.890221        0.0003
BFGS:   14 16:35:13       -0.890221        0.0003
BFGS:   15 16:35:13       -0.890221        0.0002
BFGS:   16 16:35:13       -0.890221        0.0002
BFGS:   17 16:35:13       -0.890221        0.0001
BFGS:   18 16:35:13       -0.890221        0.0001
BFGS:   19 16:35:13       -0.890221        0.0001
BFGS:   20 16:35:13       -0.890221        0.0001
BFGS:   21 16:35:13       -0.890221        0.0001
BFGS:   22 16:35:13       -0.890221        0.0001
BFGS:   23 16:35:13       -0.890222        0.0001
BFGS:   24 16:35:13       -0.890222        0.0001
BFGS:   25 16:35:13       -0.890222        0.0001
BFGS:   26 16:35:13       -0.890222        0.0000
BFGS:   27 16:35:13       -0.890222        0.0000
BFGS:   28 16:35:13       -0.890222        0.0000
BFGS:   29 16:35:13       -0.890222        0.0000
BFGS:   30 16:35:13       -0.890222        0.0000
BFGS:   31 16:35:13       -0.890222        0.0000
BFGS:   32 16:35:13       -0.890222        0.0000
BFGS:   33 16:35:13       -0.890222        0.0000
BFGS:   34 16:35:13       -0.890222        0.0000
BFGS:   35 16:35:13       -0.890222        0.0000
Minimization converged after 35 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.894119060200056e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[5.00333663645753, 0.009457800191317657, -0.01603477176787393], [-0.009513658340000553, 5.003331839095161, -0.017442705567466767], [-2.48559658734434, -2.494039508293228, 3.5546168323869316]])
forces =  [[0. 0. 0.]]
stress =  [-4.64078095e-11  4.06258843e-11 -1.45729657e-12 -5.89411906e-11
  3.21897920e-11  1.03457732e-11]
energy per atom =  -0.8902215288366376
===============================================
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.