element(s):
['Rb']
AFLOW prototype label:
A_tP4_123_l
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.1251', '0.41217607', '0.70689819']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0.70689819 0.         0.        ]]
spacegroup =  123
cell =  [[11.1251, 0, 0], [0, 11.1251, 0], [0, 0, 4.5855]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:44:42       -1.491177        0.4413
BFGS:    1 17:44:42       -1.495381        0.4334
BFGS:    2 17:44:42       -1.526077        0.3763
BFGS:    3 17:44:42       -1.552010        0.3197
BFGS:    4 17:44:42       -1.573624        0.2772
BFGS:    5 17:44:42       -1.591227        0.2272
BFGS:    6 17:44:42       -1.604919        0.1844
BFGS:    7 17:44:42       -1.614994        0.1441
BFGS:    8 17:44:42       -1.621461        0.1031
BFGS:    9 17:44:42       -1.624605        0.0650
BFGS:   10 17:44:42       -1.625137        0.0509
BFGS:   11 17:44:42       -1.625389        0.0447
BFGS:   12 17:44:42       -1.625799        0.0461
BFGS:   13 17:44:42       -1.627289        0.0476
BFGS:   14 17:44:42       -1.628807        0.0399
BFGS:   15 17:44:42       -1.631895        0.0287
BFGS:   16 17:44:42       -1.632211        0.0266
BFGS:   17 17:44:42       -1.632290        0.0267
BFGS:   18 17:44:42       -1.632324        0.0264
BFGS:   19 17:44:42       -1.632579        0.0232
BFGS:   20 17:44:42       -1.632924        0.0174
BFGS:   21 17:44:42       -1.633403        0.0118
BFGS:   22 17:44:42       -1.633653        0.0072
BFGS:   23 17:44:42       -1.633702        0.0018
BFGS:   24 17:44:42       -1.633705        0.0002
BFGS:   25 17:44:42       -1.633706        0.0000
BFGS:   26 17:44:42       -1.633706        0.0000
BFGS:   27 17:44:42       -1.633706        0.0000
BFGS:   28 17:44:42       -1.633706        0.0000
Minimization converged after 28 steps.
Maximum force component: 3.1672737269368065e-10 eV/Angstrom
Maximum stress component: 2.2323054458745215e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[6.97504542e-01 0.00000000e+00 0.00000000e+00]
 [3.02495458e-01 0.00000000e+00 7.87581215e-36]
 [1.01281826e-35 6.97504542e-01 0.00000000e+00]
 [1.26659746e-35 3.02495458e-01 0.00000000e+00]]
cellpar =  Cell([[11.540281529102181, 9.101050080267114e-37, 1.8077404571761597e-32], [-5.762871194437645e-36, 11.540281529102174, -5.816598821025121e-18], [-3.9468219045384207e-32, -1.380113396737116e-18, 5.198653659407413]])
forces =  [[-3.16727373e-10 -2.49781747e-47 -4.96141177e-43]
 [ 3.16727373e-10  2.49781768e-47 -7.82206415e-36]
 [ 1.58164170e-46 -3.16727373e-10  1.59638745e-28]
 [-1.58164170e-46  3.16727373e-10 -1.59638745e-28]]
stress =  [-1.13711624e-12 -1.13711624e-12  2.23230545e-12  9.84890223e-29
 -1.20722096e-44  3.28348745e-65]
energy per atom =  -0.4084263871755454
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0