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 17:58:45       -6.237943         2.023591
BFGS:    1 17:58:45       -6.373906         1.960356
BFGS:    2 17:58:45       -6.602983         1.803891
BFGS:    3 17:58:45       -6.818025         1.568470
BFGS:    4 17:58:45       -7.012006         1.295313
BFGS:    5 17:58:45       -7.174264         1.072010
BFGS:    6 17:58:45       -7.289180         0.720399
BFGS:    7 17:58:45       -7.332980         0.444717
BFGS:    8 17:58:45       -7.339682         0.387066
BFGS:    9 17:58:45       -7.354202         0.082467
BFGS:   10 17:58:45       -7.354827         0.076059
BFGS:   11 17:58:45       -7.355344         0.066700
BFGS:   12 17:58:45       -7.355536         0.027745
BFGS:   13 17:58:45       -7.355567         0.003744
BFGS:   14 17:58:45       -7.355568         0.000407
BFGS:   15 17:58:45       -7.355569         0.000030
BFGS:   16 17:58:45       -7.355569         0.000001
BFGS:   17 17:58:45       -7.355569         0.000000
BFGS:   18 17:58:45       -7.355569         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.2659817674224813e-10 eV/Angstrom
Maximum stress component: 3.2814474712389843e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[7.07299412e-01 1.10986211e-35 5.25445975e-36]
 [2.92700588e-01 0.00000000e+00 0.00000000e+00]
 [2.27761214e-35 7.07299412e-01 9.07279306e-34]
 [0.00000000e+00 2.92700588e-01 4.53639653e-34]]
cellpar =  Cell([[10.225278647011624, -4.205920667515196e-36, 7.612413997355903e-32], [-3.676755764727208e-35, 10.225278647011624, 6.8063185711687274e-18], [-2.473733079772141e-32, 2.9093688797769796e-18, 4.245506168760428]])
forces =  [[-1.26598177e-10  5.20731282e-47  5.11034207e-35]
 [ 1.26598177e-10 -5.20731632e-47 -1.02206842e-34]
 [ 4.55215542e-46 -1.26598177e-10 -8.42682891e-29]
 [-4.55215542e-46  1.26598177e-10  8.42685702e-29]]
stress =  [-4.48345560e-13 -4.48345560e-13 -3.28144747e-12 -2.90510743e-28
  2.07958722e-37  1.52563208e-53]
energy per atom =  -1.8388921302373813
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0