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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 20:02:29       -9.043279         3.313736
BFGS:    1 20:02:29       -9.454605         3.371039
BFGS:    2 20:02:29       -9.886984         3.404499
BFGS:    3 20:02:29      -10.312219         3.391137
BFGS:    4 20:02:29      -10.723038         3.311448
BFGS:    5 20:02:29      -11.110514         3.152116
BFGS:    6 20:02:29      -11.463704         2.891701
BFGS:    7 20:02:29      -11.770624         2.506495
BFGS:    8 20:02:29      -12.017490         1.955752
BFGS:    9 20:02:30      -12.187228         1.223522
BFGS:   10 20:02:30      -12.259635         0.218472
BFGS:   11 20:02:30      -12.260853         0.048049
BFGS:   12 20:02:30      -12.260920         0.031314
BFGS:   13 20:02:30      -12.260966         0.024489
BFGS:   14 20:02:30      -12.260983         0.007525
BFGS:   15 20:02:30      -12.260984         0.000831
BFGS:   16 20:02:30      -12.260984         0.000079
BFGS:   17 20:02:30      -12.260984         0.000004
BFGS:   18 20:02:30      -12.260984         0.000000
BFGS:   19 20:02:31      -12.260984         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.9371936309856387e-31 eV/Angstrom
Maximum stress component: 1.214178916842424e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[0.00000000e+00 7.30079705e-34 2.42622954e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [4.40367304e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 5.86852294e-33 7.50000000e-01]]
cellpar =  Cell([[4.200699825925952, -1.3052814847015957e-36, -3.4355042000389926e-37], [-6.0032061101917925e-36, 4.200699825925952, 7.004900850749677e-17], [1.8238823911960425e-34, 2.638220936584608e-16, 14.791888830206481]])
forces =  [[-1.94166086e-32  2.58888115e-32  1.82324106e-31]
 [ 2.37936600e-66  6.47220287e-33  1.93719363e-31]
 [-6.47220287e-33 -3.23610143e-32 -9.11620532e-32]
 [-2.58888115e-32 -1.62592918e-48 -9.11620532e-32]]
stress =  [-1.09363103e-11 -1.09363103e-11 -1.21417892e-11 -3.39872469e-27
 -1.72150212e-45 -4.83196842e-61]
energy per atom =  -3.065246073107916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0