element(s):
['Kr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.233']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Kr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[6.233, 0, 0], [0, 6.233, 0], [0, 0, 6.233]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:22:19       -0.018499         0.009865
BFGS:    1 15:22:19       -0.018503         0.009867
BFGS:    2 15:22:19       -0.020049         0.010759
BFGS:    3 15:22:19       -0.021736         0.011743
BFGS:    4 15:22:19       -0.023577         0.012830
BFGS:    5 15:22:19       -0.025590         0.014032
BFGS:    6 15:22:20       -0.027794         0.015579
BFGS:    7 15:22:20       -0.030241         0.017073
BFGS:    8 15:22:20       -0.032924         0.018730
BFGS:    9 15:22:20       -0.035869         0.020569
BFGS:   10 15:22:20       -0.039105         0.022612
BFGS:   11 15:22:20       -0.042664         0.024885
BFGS:   12 15:22:20       -0.046584         0.027414
BFGS:   13 15:22:20       -0.050903         0.030232
BFGS:   14 15:22:20       -0.055678         0.033863
BFGS:   15 15:22:20       -0.061019         0.037422
BFGS:   16 15:22:20       -0.066925         0.041395
BFGS:   17 15:22:20       -0.073461         0.045833
BFGS:   18 15:22:20       -0.080701         0.050792
BFGS:   19 15:22:20       -0.088728         0.056333
BFGS:   20 15:22:20       -0.097640         0.062706
BFGS:   21 15:22:20       -0.107557         0.069641
BFGS:   22 15:22:20       -0.118573         0.077380
BFGS:   23 15:22:20       -0.130815         0.086002
BFGS:   24 15:22:20       -0.144422         0.095590
BFGS:   25 15:22:20       -0.159674         0.107472
BFGS:   26 15:22:20       -0.176673         0.119375
BFGS:   27 15:22:20       -0.195545         0.132450
BFGS:   28 15:22:20       -0.216468         0.146855
BFGS:   29 15:22:20       -0.239637         0.162240
BFGS:   30 15:22:20       -0.265188         0.178573
BFGS:   31 15:22:20       -0.293244         0.196495
BFGS:   32 15:22:20       -0.324006         0.213616
BFGS:   33 15:22:20       -0.357283         0.229819
BFGS:   34 15:22:20       -0.392879         0.244297
BFGS:   35 15:22:20       -0.430279         0.253294
BFGS:   36 15:22:20       -0.468470         0.254484
BFGS:   37 15:22:20       -0.505842         0.240836
BFGS:   38 15:22:20       -0.539625         0.205168
BFGS:   39 15:22:20       -0.565539         0.132964
BFGS:   40 15:22:20       -0.576976         0.007636
BFGS:   41 15:22:20       -0.577000         0.002535
BFGS:   42 15:22:20       -0.577003         0.000030
BFGS:   43 15:22:20       -0.577003         0.000000
BFGS:   44 15:22:20       -0.577003         0.000000
Minimization converged after 44 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2838433674445567e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Kr', 'Kr', 'Kr', 'Kr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.15895697e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.86318992e-33]]
cellpar =  Cell([[3.1906149869424794, -1.9820419808671312e-32, 1.7056792155564642e-33], [-1.9955340860679178e-32, 3.190614986942479, -5.73495827366351e-17], [-3.859778905840396e-33, -5.73495827366351e-17, 3.1906149869424794]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.28384337e-13 -3.28384337e-13 -3.28384337e-13 -9.49002530e-30
 -1.57655976e-36 -2.68378202e-53]
energy per atom =  -0.1442506391003315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0