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_1959MedCutoff_Rb__MO_147245690895_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       -1.727833         0.383318
BFGS:    1 09:57:25       -1.731296         0.376718
BFGS:    2 09:57:25       -1.760015         0.318632
BFGS:    3 09:57:25       -1.783748         0.267004
BFGS:    4 09:57:25       -1.802728         0.216879
BFGS:    5 09:57:25       -1.817095         0.169549
BFGS:    6 09:57:25       -1.827103         0.126211
BFGS:    7 09:57:25       -1.832974         0.085585
BFGS:    8 09:57:25       -1.834952         0.048615
BFGS:    9 09:57:25       -1.835046         0.045519
BFGS:   10 09:57:25       -1.835742         0.032700
BFGS:   11 09:57:25       -1.836579         0.028413
BFGS:   12 09:57:25       -1.837475         0.015103
BFGS:   13 09:57:25       -1.837803         0.009509
BFGS:   14 09:57:25       -1.837859         0.009126
BFGS:   15 09:57:25       -1.837864         0.008734
BFGS:   16 09:57:25       -1.837868         0.008434
BFGS:   17 09:57:25       -1.837880         0.007556
BFGS:   18 09:57:25       -1.837905         0.005984
BFGS:   19 09:57:25       -1.837953         0.007459
BFGS:   20 09:57:25       -1.838011         0.006226
BFGS:   21 09:57:25       -1.838047         0.002423
BFGS:   22 09:57:25       -1.838053         0.001022
BFGS:   23 09:57:25       -1.838054         0.000014
BFGS:   24 09:57:25       -1.838054         0.000000
BFGS:   25 09:57:25       -1.838054         0.000000
Minimization converged after 25 steps.
Maximum force component: 9.16325941565736e-10 eV/Angstrom
Maximum stress component: 1.0014428424839533e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[6.96464726e-01 0.00000000e+00 1.69271187e-36]
 [3.03535274e-01 1.64510897e-35 1.11407477e-35]
 [0.00000000e+00 6.96464726e-01 3.03490184e-34]
 [0.00000000e+00 3.03535274e-01 0.00000000e+00]]
cellpar =  Cell([[11.156992464215584, 1.2127388015594743e-36, 1.2890965222857267e-32], [9.807430797872168e-37, 11.156992464215582, 1.7560445858097013e-17], [-2.2294423493233498e-33, 8.076996198755526e-18, 5.076750547447292]])
forces =  [[ 9.16325942e-10  9.96024806e-47  5.72898498e-36]
 [-9.16325942e-10  2.14875859e-33 -1.05873746e-42]
 [-5.37189647e-33  9.16325942e-10  1.44224280e-27]
 [-1.07437929e-33 -9.16325942e-10 -1.44224280e-27]]
stress =  [ 7.93328943e-12  7.93328943e-12 -1.00144284e-11  1.32972836e-27
 -2.12513992e-37 -1.28579425e-53]
energy per atom =  -0.4595134712421275
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0