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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:05:37       -6.237943         2.023591
BFGS:    1 15:05:37       -6.373906         1.960356
BFGS:    2 15:05:37       -6.602983         1.803891
BFGS:    3 15:05:37       -6.818025         1.568470
BFGS:    4 15:05:37       -7.012006         1.295313
BFGS:    5 15:05:37       -7.174264         1.072010
BFGS:    6 15:05:37       -7.289180         0.720399
BFGS:    7 15:05:37       -7.332980         0.444717
BFGS:    8 15:05:38       -7.339682         0.387066
BFGS:    9 15:05:38       -7.354202         0.082467
BFGS:   10 15:05:38       -7.354827         0.076059
BFGS:   11 15:05:38       -7.355344         0.066700
BFGS:   12 15:05:38       -7.355536         0.027745
BFGS:   13 15:05:38       -7.355567         0.003744
BFGS:   14 15:05:38       -7.355568         0.000407
BFGS:   15 15:05:38       -7.355569         0.000030
BFGS:   16 15:05:39       -7.355569         0.000001
BFGS:   17 15:05:39       -7.355569         0.000000
BFGS:   18 15:05:39       -7.355569         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.2660019421887445e-10 eV/Angstrom
Maximum stress component: 3.281839339327546e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[7.07299412e-01 7.01288081e-37 0.00000000e+00]
 [2.92700588e-01 1.34195796e-35 7.14229908e-35]
 [6.66973947e-36 7.07299412e-01 2.90329378e-33]
 [2.69835647e-35 2.92700588e-01 7.25823444e-34]]
cellpar =  Cell([[10.225278647011622, 3.386003134941803e-36, -5.806950008958568e-33], [1.903011293593801e-35, 10.22527864701162, -2.6718525208184988e-17], [-1.9257592695248764e-32, -1.061377015988014e-17, 4.245506168760424]])
forces =  [[-1.26600194e-10 -4.19224423e-47  7.18964269e-44]
 [ 1.26600194e-10  4.19226979e-47 -1.02206843e-34]
 [-2.35613725e-46 -1.26600194e-10  3.30804724e-28]
 [ 2.35613725e-46  1.26600194e-10 -3.30804724e-28]]
stress =  [-4.48437850e-13 -4.48437850e-13 -3.28183934e-12  4.74177929e-28
  1.10911318e-36 -1.53377507e-52]
energy per atom =  -1.838892130237381
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0