element(s):
['Rb']
AFLOW prototype label:
A_aP1_2_a
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.9755', '1.0048236', '1.004904', '119.5488', '119.4172', '90.2172']
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 =  2
cell =  [[4.9755, 0, 0], [-0.018952334856333, 4.999464077179, 0], [-2.4557772181876, -2.4751013479451, 3.5835780418503]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:35:24       -2.415563        3.7420
BFGS:    1 16:35:24       -3.008789        4.1705
BFGS:    2 16:35:24       -3.595593        3.5955
BFGS:    3 16:35:24       -3.896748        0.3162
BFGS:    4 16:35:24       -3.897806        0.2012
BFGS:    5 16:35:24       -3.898167        0.0619
BFGS:    6 16:35:24       -3.898259        0.0146
BFGS:    7 16:35:24       -3.898263        0.0009
BFGS:    8 16:35:24       -3.898263        0.0005
BFGS:    9 16:35:24       -3.898263        0.0001
BFGS:   10 16:35:24       -3.898263        0.0000
BFGS:   11 16:35:25       -3.898263        0.0000
BFGS:   12 16:35:25       -3.898263        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8530867059236264e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.278776252113173, 0.008094592054011444, -0.01365817368799972], [-0.008142025927782105, 4.278772148465632, -0.014862413757724164], [-2.125679283041792, -2.132905751540374, 3.039799158682372]])
forces =  [[0. 0. 0.]]
stress =  [ 1.85308671e-11 -1.54934704e-11  8.36507850e-12 -5.16911931e-12
 -6.96668596e-12  1.20752832e-11]
energy per atom =  -3.898263112665451
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_aP1_2_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.