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 17:12:31       -9.043279        3.3137
BFGS:    1 17:12:31       -9.454605        3.3710
BFGS:    2 17:12:31       -9.886984        3.4045
BFGS:    3 17:12:31      -10.312219        3.3911
BFGS:    4 17:12:31      -10.723038        3.3114
BFGS:    5 17:12:31      -11.110514        3.1521
BFGS:    6 17:12:31      -11.463704        2.8917
BFGS:    7 17:12:31      -11.770624        2.5065
BFGS:    8 17:12:31      -12.017490        1.9558
BFGS:    9 17:12:31      -12.187228        1.2235
BFGS:   10 17:12:31      -12.259635        0.2185
BFGS:   11 17:12:31      -12.260853        0.0480
BFGS:   12 17:12:31      -12.260920        0.0313
BFGS:   13 17:12:31      -12.260966        0.0245
BFGS:   14 17:12:31      -12.260983        0.0075
BFGS:   15 17:12:31      -12.260984        0.0008
BFGS:   16 17:12:31      -12.260984        0.0001
BFGS:   17 17:12:31      -12.260984        0.0000
BFGS:   18 17:12:31      -12.260984        0.0000
BFGS:   19 17:12:31      -12.260984        0.0000
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