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 14:51:44       -0.890116         0.013847
BFGS:    1 14:51:44       -0.890122         0.013411
BFGS:    2 14:51:44       -0.890197         0.004584
BFGS:    3 14:51:44       -0.890197         0.004457
BFGS:    4 14:51:44       -0.890206         0.004292
BFGS:    5 14:51:44       -0.890207         0.003305
BFGS:    6 14:51:44       -0.890207         0.003126
BFGS:    7 14:51:44       -0.890210         0.002531
BFGS:    8 14:51:44       -0.890213         0.003127
BFGS:    9 14:51:44       -0.890218         0.002814
BFGS:   10 14:51:44       -0.890221         0.001444
BFGS:   11 14:51:44       -0.890221         0.000588
BFGS:   12 14:51:44       -0.890221         0.000358
BFGS:   13 14:51:44       -0.890221         0.000324
BFGS:   14 14:51:44       -0.890221         0.000288
BFGS:   15 14:51:44       -0.890221         0.000241
BFGS:   16 14:51:44       -0.890221         0.000169
BFGS:   17 14:51:44       -0.890221         0.000137
BFGS:   18 14:51:44       -0.890221         0.000136
BFGS:   19 14:51:45       -0.890221         0.000126
BFGS:   20 14:51:45       -0.890221         0.000118
BFGS:   21 14:51:45       -0.890221         0.000104
BFGS:   22 14:51:45       -0.890221         0.000093
BFGS:   23 14:51:45       -0.890222         0.000119
BFGS:   24 14:51:45       -0.890222         0.000114
BFGS:   25 14:51:45       -0.890222         0.000063
BFGS:   26 14:51:45       -0.890222         0.000019
BFGS:   27 14:51:45       -0.890222         0.000009
BFGS:   28 14:51:45       -0.890222         0.000008
BFGS:   29 14:51:45       -0.890222         0.000008
BFGS:   30 14:51:45       -0.890222         0.000006
BFGS:   31 14:51:45       -0.890222         0.000004
BFGS:   32 14:51:45       -0.890222         0.000001
BFGS:   33 14:51:45       -0.890222         0.000000
BFGS:   34 14:51:45       -0.890222         0.000000
BFGS:   35 14:51:45       -0.890222         0.000000
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.