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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 14:51:43       -0.831965         0.239644
BFGS:    1 14:51:43       -0.833712         0.199267
BFGS:    2 14:51:43       -0.837029         0.036486
BFGS:    3 14:51:43       -0.837068         0.021045
BFGS:    4 14:51:43       -0.837088         0.022040
BFGS:    5 14:51:43       -0.837152         0.020379
BFGS:    6 14:51:43       -0.837168         0.015856
BFGS:    7 14:51:43       -0.837177         0.011762
BFGS:    8 14:51:43       -0.837184         0.012010
BFGS:    9 14:51:43       -0.837196         0.010911
BFGS:   10 14:51:43       -0.837205         0.005832
BFGS:   11 14:51:43       -0.837208         0.001881
BFGS:   12 14:51:44       -0.837208         0.000445
BFGS:   13 14:51:44       -0.837208         0.000421
BFGS:   14 14:51:44       -0.837208         0.000398
BFGS:   15 14:51:44       -0.837208         0.000312
BFGS:   16 14:51:44       -0.837208         0.000308
BFGS:   17 14:51:44       -0.837208         0.000289
BFGS:   18 14:51:44       -0.837208         0.000237
BFGS:   19 14:51:44       -0.837208         0.000169
BFGS:   20 14:51:44       -0.837208         0.000124
BFGS:   21 14:51:44       -0.837208         0.000067
BFGS:   22 14:51:44       -0.837208         0.000016
BFGS:   23 14:51:44       -0.837208         0.000003
BFGS:   24 14:51:44       -0.837208         0.000001
BFGS:   25 14:51:44       -0.837208         0.000001
BFGS:   26 14:51:45       -0.837208         0.000001
BFGS:   27 14:51:45       -0.837208         0.000001
BFGS:   28 14:51:45       -0.837208         0.000001
BFGS:   29 14:51:45       -0.837208         0.000001
BFGS:   30 14:51:45       -0.837208         0.000000
BFGS:   31 14:51:45       -0.837208         0.000000
BFGS:   32 14:51:45       -0.837208         0.000000
BFGS:   33 14:51:45       -0.837208         0.000000
BFGS:   34 14:51:45       -0.837208         0.000000
BFGS:   35 14:51:45       -0.837208         0.000000
BFGS:   36 14:51:45       -0.837208         0.000000
BFGS:   37 14:51:45       -0.837208         0.000000
BFGS:   38 14:51:45       -0.837208         0.000000
BFGS:   39 14:51:45       -0.837208         0.000000
BFGS:   40 14:51:46       -0.837208         0.000000
BFGS:   41 14:51:46       -0.837208         0.000000
BFGS:   42 14:51:46       -0.837208         0.000000
BFGS:   43 14:51:46       -0.837208         0.000000
BFGS:   44 14:51:46       -0.837208         0.000000
BFGS:   45 14:51:46       -0.837208         0.000000
BFGS:   46 14:51:46       -0.837208         0.000000
BFGS:   47 14:51:46       -0.837208         0.000000
BFGS:   48 14:51:46       -0.837208         0.000000
BFGS:   49 14:51:46       -0.837208         0.000000
BFGS:   50 14:51:46       -0.837208         0.000000
BFGS:   51 14:51:46       -0.837208         0.000000
BFGS:   52 14:51:46       -0.837208         0.000000
BFGS:   53 14:51:46       -0.837208         0.000000
BFGS:   54 14:51:46       -0.837208         0.000000
BFGS:   55 14:51:47       -0.837208         0.000000
BFGS:   56 14:51:47       -0.837208         0.000000
BFGS:   57 14:51:47       -0.837208         0.000000
BFGS:   58 14:51:47       -0.837208         0.000000
BFGS:   59 14:51:47       -0.837208         0.000000
Minimization converged after 59 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.14541734505467e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.938893337768295, 0.009338464232543768, -0.015795727495732707], [-0.009393418068139148, 4.938888589553529, -0.0171851830735962], [-2.4536037630185246, -2.4619406016937284, 3.508800526090914]])
forces =  [[0. 0. 0.]]
stress =  [ 4.76697245e-11 -4.44122991e-11  4.75144029e-12  9.14541735e-11
 -6.91026630e-11 -1.32216958e-12]
energy per atom =  -0.8372078557294022
===============================================
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.