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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_004
==== 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 17:12:20       -2.910253        0.1208
BFGS:    1 17:12:20       -2.910594        0.1191
BFGS:    2 17:12:20       -2.918536        0.0834
BFGS:    3 17:12:20       -2.924029        0.0403
BFGS:    4 17:12:20       -2.926561        0.0119
BFGS:    5 17:12:20       -2.926693        0.0069
BFGS:    6 17:12:20       -2.926696        0.0054
BFGS:    7 17:12:20       -2.926698        0.0050
BFGS:    8 17:12:20       -2.926707        0.0051
BFGS:    9 17:12:20       -2.926719        0.0047
BFGS:   10 17:12:20       -2.926737        0.0030
BFGS:   11 17:12:20       -2.926746        0.0014
BFGS:   12 17:12:20       -2.926748        0.0004
BFGS:   13 17:12:20       -2.926748        0.0000
BFGS:   14 17:12:20       -2.926748        0.0000
BFGS:   15 17:12:20       -2.926748        0.0000
BFGS:   16 17:12:20       -2.926748        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.391018717953104e-33 eV/Angstrom
Maximum stress component: 2.8643188882127845e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[2.21870059e-33 7.99688807e-34 7.70374910e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.09972115e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.803717244505891, -5.139121913368983e-38, -1.5480078698230472e-40], [6.20028387811663e-38, 4.80371724450589, 4.7981803344448856e-18], [-3.909996834238806e-39, 1.760490943181205e-17, 17.6071758364607]])
forces =  [[-4.62581144e-34 -2.31290572e-34 -2.31023980e-52]
 [ 5.49315109e-34  1.15645286e-34  3.39101872e-33]
 [-3.46935858e-34  6.93871716e-34  6.93071939e-52]
 [-6.93871716e-34  2.60201894e-34  2.59901977e-52]]
stress =  [ 5.08271798e-12  5.08271798e-12  2.86431889e-11  2.06959576e-26
 -8.43253295e-50 -6.51118253e-65]
energy per atom =  -0.7316870579283471
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0