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_1959HighCutoff_Rb__MO_908110223949_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       -1.775003        0.3726
BFGS:    1 17:44:42       -1.778357        0.3662
BFGS:    2 17:44:42       -1.806943        0.3087
BFGS:    3 17:44:42       -1.830414        0.2553
BFGS:    4 17:44:42       -1.848973        0.2048
BFGS:    5 17:44:42       -1.862806        0.1574
BFGS:    6 17:44:42       -1.872121        0.1133
BFGS:    7 17:44:42       -1.877142        0.0719
BFGS:    8 17:44:42       -1.878282        0.0435
BFGS:    9 17:44:42       -1.878362        0.0413
BFGS:   10 17:44:42       -1.879229        0.0288
BFGS:   11 17:44:42       -1.879954        0.0222
BFGS:   12 17:44:42       -1.880572        0.0080
BFGS:   13 17:44:42       -1.880684        0.0046
BFGS:   14 17:44:42       -1.880695        0.0041
BFGS:   15 17:44:42       -1.880695        0.0039
BFGS:   16 17:44:42       -1.880697        0.0037
BFGS:   17 17:44:42       -1.880699        0.0033
BFGS:   18 17:44:42       -1.880706        0.0034
BFGS:   19 17:44:42       -1.880718        0.0038
BFGS:   20 17:44:42       -1.880730        0.0028
BFGS:   21 17:44:42       -1.880735        0.0009
BFGS:   22 17:44:42       -1.880736        0.0002
BFGS:   23 17:44:42       -1.880736        0.0000
BFGS:   24 17:44:42       -1.880736        0.0000
BFGS:   25 17:44:42       -1.880736        0.0000
BFGS:   26 17:44:42       -1.880736        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.9602211283769022e-10 eV/Angstrom
Maximum stress component: 1.6881811241954619e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[6.96247519e-01 1.42129324e-36 9.25187522e-36]
 [3.03752481e-01 0.00000000e+00 6.39542395e-36]
 [2.18379478e-35 6.96247519e-01 0.00000000e+00]
 [0.00000000e+00 3.03752481e-01 1.14490987e-34]]
cellpar =  Cell([[11.066756921238866, -1.4386026122364333e-36, 3.933153787278893e-34], [-2.3172195973308137e-35, 11.066756921238868, -2.4836715276005923e-18], [-7.127986941190527e-32, -7.849913709188781e-19, 5.046501892980546]])
forces =  [[-1.96022113e-10  2.66422482e-34 -6.07450569e-35]
 [ 1.96022113e-10  2.13137985e-33 -1.82235171e-34]
 [ 4.10442088e-46 -1.96022113e-10  4.39926277e-29]
 [-5.32844964e-34  1.96022113e-10 -4.39925821e-29]]
stress =  [-1.68818112e-12 -1.68818112e-12  1.07945811e-12  2.72687972e-28
 -2.70153602e-44  4.36793289e-60]
energy per atom =  -0.4701840795153127
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0