element(s):
['Rb']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6857', '3.615511']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.6857, 0, 0], [0, 4.6857, 0], [0, 0, 16.9412]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:33       -2.232548         0.221999
BFGS:    1 09:47:33       -2.234019         0.216163
BFGS:    2 09:47:33       -2.252142         0.130204
BFGS:    3 09:47:33       -2.261424         0.053228
BFGS:    4 09:47:33       -2.263104         0.036310
BFGS:    5 09:47:33       -2.263133         0.037132
BFGS:    6 09:47:33       -2.263193         0.035837
BFGS:    7 09:47:33       -2.263301         0.029059
BFGS:    8 09:47:33       -2.263427         0.015246
BFGS:    9 09:47:33       -2.263494         0.004180
BFGS:   10 09:47:33       -2.263507         0.001024
BFGS:   11 09:47:33       -2.263508         0.000198
BFGS:   12 09:47:34       -2.263508         0.000015
BFGS:   13 09:47:34       -2.263508         0.000000
BFGS:   14 09:47:34       -2.263508         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.672388335596736e-33 eV/Angstrom
Maximum stress component: 3.9187322689270664e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[0.00000000e+00 4.10952825e-34 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 1.27017050e-33 7.50000000e-01]]
cellpar =  Cell([[4.852085455354742, 2.495886852990593e-37, -1.6271903312533053e-39], [5.112582592826318e-37, 4.852085455354741, 1.2003433617812121e-17], [1.572539077749541e-37, 4.2404512948271914e-17, 17.05306240915027]])
forces =  [[-1.63533592e-33 -1.40171650e-33 -3.46766584e-51]
 [-2.75196050e-33  1.49662439e-33  1.64215018e-33]
 [-1.75214563e-34  4.67238834e-33  1.15588861e-50]
 [-2.22599984e-70 -1.82515169e-33 -3.28430035e-33]]
stress =  [-3.91873227e-11 -3.91873227e-11  1.19531354e-11 -5.49938120e-27
 -2.32760705e-36 -2.58416293e-52]
energy per atom =  -0.5658770455137946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0