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 17:58:36       -1.491177         0.441279
BFGS:    1 17:58:36       -1.495381         0.433378
BFGS:    2 17:58:37       -1.526077         0.376255
BFGS:    3 17:58:37       -1.552010         0.319720
BFGS:    4 17:58:37       -1.573624         0.277248
BFGS:    5 17:58:37       -1.591227         0.227164
BFGS:    6 17:58:37       -1.604919         0.184411
BFGS:    7 17:58:37       -1.614994         0.144072
BFGS:    8 17:58:37       -1.621461         0.103123
BFGS:    9 17:58:37       -1.624605         0.065046
BFGS:   10 17:58:37       -1.625137         0.050862
BFGS:   11 17:58:37       -1.625389         0.044669
BFGS:   12 17:58:37       -1.625799         0.046057
BFGS:   13 17:58:37       -1.627289         0.047602
BFGS:   14 17:58:37       -1.628807         0.039924
BFGS:   15 17:58:37       -1.631895         0.028714
BFGS:   16 17:58:37       -1.632211         0.026570
BFGS:   17 17:58:37       -1.632290         0.026685
BFGS:   18 17:58:37       -1.632324         0.026415
BFGS:   19 17:58:37       -1.632579         0.023206
BFGS:   20 17:58:37       -1.632924         0.017398
BFGS:   21 17:58:37       -1.633403         0.011821
BFGS:   22 17:58:37       -1.633653         0.007201
BFGS:   23 17:58:37       -1.633702         0.001757
BFGS:   24 17:58:37       -1.633705         0.000177
BFGS:   25 17:58:37       -1.633706         0.000014
BFGS:   26 17:58:37       -1.633706         0.000001
BFGS:   27 17:58:37       -1.633706         0.000000
BFGS:   28 17:58:37       -1.633706         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.167275225338089e-10 eV/Angstrom
Maximum stress component: 2.2323207386218196e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rb', 'Rb', 'Rb', 'Rb']
basis =  [[6.97504542e-01 1.24520231e-35 9.98229745e-35]
 [3.02495458e-01 0.00000000e+00 0.00000000e+00]
 [1.38721941e-36 6.97504542e-01 1.77824189e-33]
 [0.00000000e+00 3.02495458e-01 5.92747298e-34]]
cellpar =  Cell([[11.54028152910218, 3.613391647531658e-36, -1.2920024831764702e-31], [8.748955656979715e-36, 11.540281529102177, -3.535566185239235e-17], [7.82354813770415e-33, -1.4424119248566116e-17, 5.198653659407418]])
forces =  [[-3.16727523e-10  2.22257738e-33  3.12882590e-34]
 [ 3.16727523e-10 -2.22257738e-33 -6.25765208e-35]
 [-1.11128869e-33 -3.16727523e-10  9.70349976e-28]
 [ 1.11128869e-33  3.16727523e-10 -9.70349968e-28]]
stress =  [-1.13711560e-12 -1.13711560e-12  2.23232074e-12 -4.64391634e-28
  2.39300534e-45 -3.32786792e-61]
energy per atom =  -0.40842638717554614
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0