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 17:23:42       -9.043279         3.313736
BFGS:    1 17:23:42       -9.454605         3.371039
BFGS:    2 17:23:42       -9.886984         3.404499
BFGS:    3 17:23:42      -10.312219         3.391137
BFGS:    4 17:23:42      -10.723038         3.311448
BFGS:    5 17:23:42      -11.110514         3.152116
BFGS:    6 17:23:42      -11.463704         2.891701
BFGS:    7 17:23:42      -11.770624         2.506495
BFGS:    8 17:23:42      -12.017490         1.955752
BFGS:    9 17:23:42      -12.187228         1.223522
BFGS:   10 17:23:42      -12.259635         0.218472
BFGS:   11 17:23:42      -12.260853         0.048049
BFGS:   12 17:23:42      -12.260920         0.031314
BFGS:   13 17:23:42      -12.260966         0.024489
BFGS:   14 17:23:42      -12.260983         0.007525
BFGS:   15 17:23:42      -12.260984         0.000831
BFGS:   16 17:23:42      -12.260984         0.000079
BFGS:   17 17:23:42      -12.260984         0.000004
BFGS:   18 17:23:42      -12.260984         0.000000
BFGS:   19 17:23:42      -12.260984         0.000000
Minimization converged after 19 steps.
Maximum force component: 4.273221244821264e-32 eV/Angstrom
Maximum stress component: 1.2141131435656557e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[0.00000000e+00 0.00000000e+00 3.87895515e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.200699825925953, 2.8821094879934503e-36, -1.4311526740593638e-37], [-3.622493284528086e-36, 4.200699825925952, 1.3588303519963937e-17], [6.926324896942408e-38, 4.578439717458614e-17, 14.79188883020649]])
forces =  [[ 9.70830430e-33  6.66088916e-69 -3.30755975e-70]
 [ 1.94166086e-32  6.47220287e-33  4.27322124e-32]
 [ 6.47220287e-33  4.44059277e-69 -2.20503983e-70]
 [-6.47220287e-33 -4.44059277e-69  2.20503983e-70]]
stress =  [-1.09361134e-11 -1.09361134e-11 -1.21411314e-11 -2.13394492e-27
 -6.53715577e-49  1.15065023e-63]
energy per atom =  -3.0652460731079154
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0