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:
EAM_Dynamo_NicholAckland_2016v2_Rb__MO_874930365376_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 14:52:06       -0.827561         0.016539
BFGS:    1 14:52:06       -0.827567         0.016165
BFGS:    2 14:52:06       -0.827709         0.016266
BFGS:    3 14:52:06       -0.827715         0.017172
BFGS:    4 14:52:06       -0.828294         0.070711
BFGS:    5 14:52:06       -0.830495         0.104542
BFGS:    6 14:52:06       -0.831388         0.089142
BFGS:    7 14:52:06       -0.834140         0.073229
BFGS:    8 14:52:06       -0.835138         0.060214
BFGS:    9 14:52:06       -0.835314         0.061620
BFGS:   10 14:52:06       -0.836841         0.075458
BFGS:   11 14:52:06       -0.837734         0.063150
BFGS:   12 14:52:06       -0.839038         0.041002
BFGS:   13 14:52:06       -0.839166         0.039349
BFGS:   14 14:52:06       -0.839393         0.040119
BFGS:   15 14:52:06       -0.839556         0.034373
BFGS:   16 14:52:07       -0.839720         0.019839
BFGS:   17 14:52:07       -0.839778         0.010165
BFGS:   18 14:52:07       -0.839795         0.006947
BFGS:   19 14:52:07       -0.839829         0.003427
BFGS:   20 14:52:07       -0.839830         0.009142
BFGS:   21 14:52:07       -0.839845         0.002852
BFGS:   22 14:52:07       -0.839846         0.002236
BFGS:   23 14:52:07       -0.839846         0.001692
BFGS:   24 14:52:07       -0.839846         0.001484
BFGS:   25 14:52:07       -0.839847         0.001051
BFGS:   26 14:52:07       -0.839847         0.000508
BFGS:   27 14:52:07       -0.839847         0.000142
BFGS:   28 14:52:07       -0.839847         0.000031
BFGS:   29 14:52:07       -0.839847         0.000024
BFGS:   30 14:52:07       -0.839847         0.000023
BFGS:   31 14:52:07       -0.839847         0.000021
BFGS:   32 14:52:07       -0.839847         0.000023
BFGS:   33 14:52:07       -0.839847         0.000021
BFGS:   34 14:52:07       -0.839847         0.000011
BFGS:   35 14:52:07       -0.839847         0.000002
BFGS:   36 14:52:07       -0.839847         0.000000
BFGS:   37 14:52:07       -0.839847         0.000000
BFGS:   38 14:52:07       -0.839847         0.000000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.836071266197697e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.83797634300848, -0.5230210880764731, -0.00793122258249763], [-0.5455723840810252, 4.83548178132649, -0.009787354928921684], [-2.139057668799558, -2.1477370950019066, 3.8067422726019107]])
forces =  [[0. 0. 0.]]
stress =  [-7.83607127e-12  3.10980749e-12 -2.65317585e-12 -1.92080852e-12
 -5.80634077e-13 -3.76771430e-14]
energy per atom =  -0.8398473065060893
===============================================
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_tI2_139_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.