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 17:01:56       -0.018499        0.0099
BFGS:    1 17:01:56       -0.018503        0.0099
BFGS:    2 17:01:56       -0.020049        0.0108
BFGS:    3 17:01:56       -0.021736        0.0117
BFGS:    4 17:01:56       -0.023577        0.0128
BFGS:    5 17:01:56       -0.025590        0.0140
BFGS:    6 17:01:56       -0.027794        0.0156
BFGS:    7 17:01:56       -0.030241        0.0171
BFGS:    8 17:01:56       -0.032924        0.0187
BFGS:    9 17:01:56       -0.035869        0.0206
BFGS:   10 17:01:56       -0.039105        0.0226
BFGS:   11 17:01:56       -0.042664        0.0249
BFGS:   12 17:01:56       -0.046584        0.0274
BFGS:   13 17:01:56       -0.050903        0.0302
BFGS:   14 17:01:56       -0.055678        0.0339
BFGS:   15 17:01:56       -0.061019        0.0374
BFGS:   16 17:01:56       -0.066925        0.0414
BFGS:   17 17:01:56       -0.073461        0.0458
BFGS:   18 17:01:56       -0.080701        0.0508
BFGS:   19 17:01:56       -0.088728        0.0563
BFGS:   20 17:01:56       -0.097640        0.0627
BFGS:   21 17:01:56       -0.107557        0.0696
BFGS:   22 17:01:56       -0.118573        0.0774
BFGS:   23 17:01:56       -0.130815        0.0860
BFGS:   24 17:01:56       -0.144422        0.0956
BFGS:   25 17:01:56       -0.159674        0.1075
BFGS:   26 17:01:56       -0.176673        0.1194
BFGS:   27 17:01:56       -0.195545        0.1324
BFGS:   28 17:01:56       -0.216468        0.1469
BFGS:   29 17:01:56       -0.239637        0.1622
BFGS:   30 17:01:56       -0.265188        0.1786
BFGS:   31 17:01:57       -0.293244        0.1965
BFGS:   32 17:01:57       -0.324006        0.2136
BFGS:   33 17:01:57       -0.357283        0.2298
BFGS:   34 17:01:57       -0.392879        0.2443
BFGS:   35 17:01:57       -0.430279        0.2533
BFGS:   36 17:01:57       -0.468470        0.2545
BFGS:   37 17:01:57       -0.505842        0.2408
BFGS:   38 17:01:57       -0.539625        0.2052
BFGS:   39 17:01:57       -0.565539        0.1330
BFGS:   40 17:01:57       -0.576976        0.0076
BFGS:   41 17:01:57       -0.577000        0.0025
BFGS:   42 17:01:57       -0.577003        0.0000
BFGS:   43 17:01:57       -0.577003        0.0000
BFGS:   44 17:01:57       -0.577003        0.0000
Minimization converged after 44 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2843420884411716e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Kr', 'Kr', 'Kr', 'Kr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.17947566e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.89739244e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.190614986942479, -1.9441769456389459e-32, 8.864809969759182e-33], [-4.0243883887370583e-33, 3.190614986942479, -2.982806955246044e-17], [-8.859731815381435e-33, -2.982806955246041e-17, 3.190614986942479]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.28434209e-13 -3.28434209e-13 -3.28434209e-13 -5.07761874e-33
 -2.12835568e-35  1.99687503e-52]
energy per atom =  -0.1442506391003314
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0