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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 15:02:59       -1.290049         0.443525
BFGS:    1 15:03:00       -1.295556         0.426792
BFGS:    2 15:03:01       -1.333717         0.307802
BFGS:    3 15:03:02       -1.363098         0.207968
BFGS:    4 15:03:03       -1.384683         0.158452
BFGS:    5 15:03:04       -1.399215         0.115091
BFGS:    6 15:03:05       -1.407234         0.072988
BFGS:    7 15:03:05       -1.409223         0.059078
BFGS:    8 15:03:06       -1.409344         0.061702
BFGS:    9 15:03:07       -1.409842         0.063110
BFGS:   10 15:03:08       -1.410491         0.052951
BFGS:   11 15:03:09       -1.411179         0.025588
BFGS:   12 15:03:10       -1.411410         0.005592
BFGS:   13 15:03:10       -1.411444         0.003828
BFGS:   14 15:03:11       -1.411447         0.003722
BFGS:   15 15:03:12       -1.411448         0.003611
BFGS:   16 15:03:13       -1.411453         0.002962
BFGS:   17 15:03:14       -1.411459         0.001891
BFGS:   18 15:03:14       -1.411465         0.001506
BFGS:   19 15:03:15       -1.411468         0.000590
BFGS:   20 15:03:16       -1.411468         0.000076
BFGS:   21 15:03:17       -1.411468         0.000009
BFGS:   22 15:03:18       -1.411468         0.000000
BFGS:   23 15:03:18       -1.411468         0.000000
BFGS:   24 15:03:19       -1.411468         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.1893126912986e-10 eV/Angstrom
Maximum stress component: 1.0830133516569764e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[7.07772801e-01 0.00000000e+00 0.00000000e+00]
 [2.92227199e-01 4.30954951e-35 3.14515269e-34]
 [0.00000000e+00 7.07772801e-01 0.00000000e+00]
 [0.00000000e+00 2.92227199e-01 2.52285836e-33]]
cellpar =  Cell([[11.817487968284597, -4.9573293487057226e-36, 8.884369274346781e-33], [4.926018889854738e-36, 11.817487968284599, 2.6480936955917597e-16], [4.154393759353692e-32, 1.1037732217829442e-16, 4.885708936808081]])
forces =  [[ 1.18931269e-10 -6.82789618e-33  4.57186348e-34]
 [-1.18931269e-10  6.82789618e-33 -8.94121922e-44]
 [ 4.95754834e-47  1.18931269e-10  2.66504260e-27]
 [-4.95754834e-47 -1.18931269e-10 -2.66504283e-27]]
stress =  [ 1.08301335e-12  1.08301335e-12 -6.38541044e-13 -4.10826181e-29
 -1.01370848e-44  2.05597510e-60]
energy per atom =  -0.3528669691850894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0