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_001
==== 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 13:04:21       -0.831965         0.239644
BFGS:    1 13:04:22       -0.833712         0.199267
BFGS:    2 13:04:22       -0.837029         0.036486
BFGS:    3 13:04:22       -0.837068         0.021045
BFGS:    4 13:04:22       -0.837088         0.022040
BFGS:    5 13:04:22       -0.837152         0.020379
BFGS:    6 13:04:22       -0.837168         0.015856
BFGS:    7 13:04:22       -0.837177         0.011762
BFGS:    8 13:04:22       -0.837184         0.012010
BFGS:    9 13:04:22       -0.837196         0.010911
BFGS:   10 13:04:22       -0.837205         0.005832
BFGS:   11 13:04:22       -0.837208         0.001881
BFGS:   12 13:04:22       -0.837208         0.000445
BFGS:   13 13:04:22       -0.837208         0.000421
BFGS:   14 13:04:22       -0.837208         0.000398
BFGS:   15 13:04:23       -0.837208         0.000312
BFGS:   16 13:04:23       -0.837208         0.000308
BFGS:   17 13:04:23       -0.837208         0.000289
BFGS:   18 13:04:23       -0.837208         0.000237
BFGS:   19 13:04:23       -0.837208         0.000169
BFGS:   20 13:04:23       -0.837208         0.000124
BFGS:   21 13:04:23       -0.837208         0.000067
BFGS:   22 13:04:23       -0.837208         0.000016
BFGS:   23 13:04:23       -0.837208         0.000003
BFGS:   24 13:04:23       -0.837208         0.000001
BFGS:   25 13:04:23       -0.837208         0.000001
BFGS:   26 13:04:23       -0.837208         0.000001
BFGS:   27 13:04:23       -0.837208         0.000001
BFGS:   28 13:04:23       -0.837208         0.000001
BFGS:   29 13:04:24       -0.837208         0.000001
BFGS:   30 13:04:24       -0.837208         0.000000
BFGS:   31 13:04:24       -0.837208         0.000000
BFGS:   32 13:04:24       -0.837208         0.000000
BFGS:   33 13:04:24       -0.837208         0.000000
BFGS:   34 13:04:24       -0.837208         0.000000
BFGS:   35 13:04:24       -0.837208         0.000000
BFGS:   36 13:04:24       -0.837208         0.000000
BFGS:   37 13:04:24       -0.837208         0.000000
BFGS:   38 13:04:24       -0.837208         0.000000
BFGS:   39 13:04:24       -0.837208         0.000000
BFGS:   40 13:04:24       -0.837208         0.000000
BFGS:   41 13:04:25       -0.837208         0.000000
BFGS:   42 13:04:25       -0.837208         0.000000
BFGS:   43 13:04:25       -0.837208         0.000000
BFGS:   44 13:04:25       -0.837208         0.000000
BFGS:   45 13:04:25       -0.837208         0.000000
BFGS:   46 13:04:25       -0.837208         0.000000
BFGS:   47 13:04:25       -0.837208         0.000000
BFGS:   48 13:04:25       -0.837208         0.000000
BFGS:   49 13:04:26       -0.837208         0.000000
BFGS:   50 13:04:26       -0.837208         0.000000
BFGS:   51 13:04:26       -0.837208         0.000000
BFGS:   52 13:04:26       -0.837208         0.000000
BFGS:   53 13:04:26       -0.837208         0.000000
BFGS:   54 13:04:26       -0.837208         0.000000
BFGS:   55 13:04:26       -0.837208         0.000000
BFGS:   56 13:04:26       -0.837208         0.000000
BFGS:   57 13:04:26       -0.837208         0.000000
BFGS:   58 13:04:26       -0.837208         0.000000
BFGS:   59 13:04:26       -0.837208         0.000000
Minimization converged after 59 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.14541345159217e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.93889333776829, 0.009338464232562682, -0.015795727495737287], [-0.009393418068157163, 4.9388885895535255, -0.017185183073605868], [-2.4536037630185077, -2.4619406016937315, 3.508800526090922]])
forces =  [[0. 0. 0.]]
stress =  [ 4.76696253e-11 -4.44123805e-11  4.75137890e-12  9.14541345e-11
 -6.91026237e-11 -1.32218347e-12]
energy per atom =  -0.837207855729402
===============================================
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.