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_001
==== 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 17:58:31       -1.290049         0.443525
BFGS:    1 17:58:31       -1.295556         0.426792
BFGS:    2 17:58:31       -1.333717         0.307802
BFGS:    3 17:58:32       -1.363098         0.207968
BFGS:    4 17:58:32       -1.384683         0.158452
BFGS:    5 17:58:32       -1.399215         0.115091
BFGS:    6 17:58:32       -1.407234         0.072988
BFGS:    7 17:58:32       -1.409223         0.059078
BFGS:    8 17:58:32       -1.409344         0.061702
BFGS:    9 17:58:32       -1.409842         0.063110
BFGS:   10 17:58:32       -1.410491         0.052951
BFGS:   11 17:58:33       -1.411179         0.025588
BFGS:   12 17:58:33       -1.411410         0.005592
BFGS:   13 17:58:33       -1.411444         0.003828
BFGS:   14 17:58:33       -1.411447         0.003722
BFGS:   15 17:58:33       -1.411448         0.003611
BFGS:   16 17:58:33       -1.411453         0.002962
BFGS:   17 17:58:33       -1.411459         0.001891
BFGS:   18 17:58:33       -1.411465         0.001506
BFGS:   19 17:58:33       -1.411468         0.000590
BFGS:   20 17:58:33       -1.411468         0.000076
BFGS:   21 17:58:33       -1.411468         0.000009
BFGS:   22 17:58:33       -1.411468         0.000000
BFGS:   23 17:58:33       -1.411468         0.000000
BFGS:   24 17:58:33       -1.411468         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.1893172861474064e-10 eV/Angstrom
Maximum stress component: 1.0830139186231618e-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 5.80585185e-36 1.63158639e-34]
 [0.00000000e+00 7.07772801e-01 1.51371502e-32]
 [1.66064747e-35 2.92227199e-01 0.00000000e+00]]
cellpar =  Cell([[11.817487968284599, 1.3515715787666785e-35, -1.711378166826553e-33], [-4.957303620196559e-36, 11.817487968284597, 2.5027601893230104e-16], [3.650617337853168e-32, 1.0430498101918593e-16, 4.885708936808082]])
forces =  [[ 1.18931729e-10  1.36022142e-46 -2.94047911e-35]
 [-1.18931729e-10 -1.36022142e-46  2.94047911e-35]
 [-4.98905258e-47  1.18931729e-10  2.51878916e-27]
 [ 4.98905258e-47 -1.18931729e-10 -2.51878914e-27]]
stress =  [ 1.08301392e-12  1.08301392e-12 -6.38533681e-13 -1.21245852e-28
 -8.90782103e-45 -9.89080949e-61]
energy per atom =  -0.35286696918508936
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0