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 15:59:36       -2.415563         3.741994
BFGS:    1 15:59:36       -3.008789         4.170547
BFGS:    2 15:59:36       -3.595593         3.595474
BFGS:    3 15:59:36       -3.896748         0.316152
BFGS:    4 15:59:36       -3.897806         0.201213
BFGS:    5 15:59:36       -3.898167         0.061899
BFGS:    6 15:59:36       -3.898259         0.014570
BFGS:    7 15:59:36       -3.898263         0.000900
BFGS:    8 15:59:36       -3.898263         0.000543
BFGS:    9 15:59:36       -3.898263         0.000063
BFGS:   10 15:59:36       -3.898263         0.000007
BFGS:   11 15:59:36       -3.898263         0.000000
BFGS:   12 15:59:37       -3.898263         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8530348215006543e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.278776252113172, 0.008094592054011411, -0.013658173688001271], [-0.008142025927781653, 4.27877214846563, -0.014862413757732158], [-2.1256792830417925, -2.132905751540369, 3.0397991586823756]])
forces =  [[0. 0. 0.]]
stress =  [ 1.85303482e-11 -1.54943068e-11  8.36434211e-12 -5.16939000e-12
 -6.96694739e-12  1.20752918e-11]
energy per atom =  -3.8982631126654512
===============================================
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.