element(s):
['Rb']
AFLOW prototype label:
A_tP4_123_l
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['11.1251', '0.41217607', '0.70689819']
model name:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rb']
representative atom coordinates =  [[0.70689819 0.         0.        ]]
spacegroup =  123
cell =  [[11.1251, 0, 0], [0, 11.1251, 0], [0, 0, 4.5855]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:57:25       -1.491177         0.441279
BFGS:    1 09:57:25       -1.495381         0.433378
BFGS:    2 09:57:25       -1.526077         0.376255
BFGS:    3 09:57:25       -1.552010         0.319720
BFGS:    4 09:57:25       -1.573624         0.277248
BFGS:    5 09:57:25       -1.591227         0.227164
BFGS:    6 09:57:26       -1.604919         0.184411
BFGS:    7 09:57:26       -1.614994         0.144072
BFGS:    8 09:57:26       -1.621461         0.103123
BFGS:    9 09:57:26       -1.624605         0.065046
BFGS:   10 09:57:26       -1.625137         0.050862
BFGS:   11 09:57:26       -1.625389         0.044669
BFGS:   12 09:57:26       -1.625799         0.046057
BFGS:   13 09:57:26       -1.627289         0.047602
BFGS:   14 09:57:26       -1.628807         0.039924
BFGS:   15 09:57:26       -1.631895         0.028714
BFGS:   16 09:57:26       -1.632211         0.026570
BFGS:   17 09:57:26       -1.632290         0.026685
BFGS:   18 09:57:26       -1.632324         0.026415
BFGS:   19 09:57:26       -1.632579         0.023206
BFGS:   20 09:57:26       -1.632924         0.017398
BFGS:   21 09:57:26       -1.633403         0.011821
BFGS:   22 09:57:26       -1.633653         0.007201
BFGS:   23 09:57:26       -1.633702         0.001757
BFGS:   24 09:57:26       -1.633705         0.000177
BFGS:   25 09:57:26       -1.633706         0.000014
BFGS:   26 09:57:26       -1.633706         0.000001
BFGS:   27 09:57:26       -1.633706         0.000000
BFGS:   28 09:57:26       -1.633706         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.1672737269368065e-10 eV/Angstrom
Maximum stress component: 2.2323054458745215e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[6.97504542e-01 0.00000000e+00 0.00000000e+00]
 [3.02495458e-01 0.00000000e+00 7.87581215e-36]
 [1.01281826e-35 6.97504542e-01 0.00000000e+00]
 [1.26659746e-35 3.02495458e-01 0.00000000e+00]]
cellpar =  Cell([[11.540281529102181, 9.101050080267114e-37, 1.8077404571761597e-32], [-5.762871194437645e-36, 11.540281529102174, -5.816598821025121e-18], [-3.9468219045384207e-32, -1.380113396737116e-18, 5.198653659407413]])
forces =  [[-3.16727373e-10 -2.49781747e-47 -4.96141177e-43]
 [ 3.16727373e-10  2.49781768e-47 -7.82206415e-36]
 [ 1.58164170e-46 -3.16727373e-10  1.59638745e-28]
 [-1.58164170e-46  3.16727373e-10 -1.59638745e-28]]
stress =  [-1.13711624e-12 -1.13711624e-12  2.23230545e-12  9.84890223e-29
 -1.20722096e-44  3.28348745e-65]
energy per atom =  -0.4084263871755454
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0