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 15:03:16       -1.775003         0.372598
BFGS:    1 15:03:16       -1.778357         0.366233
BFGS:    2 15:03:17       -1.806943         0.308674
BFGS:    3 15:03:17       -1.830414         0.255297
BFGS:    4 15:03:17       -1.848973         0.204770
BFGS:    5 15:03:17       -1.862806         0.157419
BFGS:    6 15:03:17       -1.872121         0.113341
BFGS:    7 15:03:18       -1.877142         0.071918
BFGS:    8 15:03:18       -1.878282         0.043548
BFGS:    9 15:03:18       -1.878362         0.041273
BFGS:   10 15:03:18       -1.879229         0.028796
BFGS:   11 15:03:18       -1.879954         0.022241
BFGS:   12 15:03:18       -1.880572         0.007959
BFGS:   13 15:03:18       -1.880684         0.004625
BFGS:   14 15:03:19       -1.880695         0.004098
BFGS:   15 15:03:19       -1.880695         0.003919
BFGS:   16 15:03:19       -1.880697         0.003651
BFGS:   17 15:03:19       -1.880699         0.003250
BFGS:   18 15:03:19       -1.880706         0.003434
BFGS:   19 15:03:19       -1.880718         0.003806
BFGS:   20 15:03:19       -1.880730         0.002843
BFGS:   21 15:03:19       -1.880735         0.000922
BFGS:   22 15:03:20       -1.880736         0.000160
BFGS:   23 15:03:20       -1.880736         0.000010
BFGS:   24 15:03:20       -1.880736         0.000001
BFGS:   25 15:03:20       -1.880736         0.000000
BFGS:   26 15:03:20       -1.880736         0.000000
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