element(s):
['K']
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:
['9.6836', '0.43686232', '0.29480938']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.29480938 0.         0.        ]]
spacegroup =  123
cell =  [[9.6836, 0, 0], [0, 9.6836, 0], [0, 0, 4.2304]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:43:58       -8.037508        2.6553
BFGS:    1 17:43:58       -8.164148        2.5428
BFGS:    2 17:43:58       -8.315840        2.3327
BFGS:    3 17:43:58       -8.447563        2.0116
BFGS:    4 17:43:58       -8.554184        1.5617
BFGS:    5 17:43:58       -8.629206        0.9496
BFGS:    6 17:43:58       -8.664020        0.1503
BFGS:    7 17:43:58       -8.665877        0.0944
BFGS:    8 17:43:58       -8.666631        0.0816
BFGS:    9 17:43:58       -8.667687        0.0233
BFGS:   10 17:43:58       -8.667728        0.0058
BFGS:   11 17:43:58       -8.667730        0.0040
BFGS:   12 17:43:58       -8.667732        0.0009
BFGS:   13 17:43:58       -8.667732        0.0003
BFGS:   14 17:43:58       -8.667732        0.0000
BFGS:   15 17:43:58       -8.667732        0.0000
BFGS:   16 17:43:58       -8.667732        0.0000
Minimization converged after 16 steps.
Maximum force component: 1.8053283367578344e-09 eV/Angstrom
Maximum stress component: 3.135065715233636e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[2.92700588e-01 0.00000000e+00 0.00000000e+00]
 [7.07299412e-01 1.14528632e-35 1.27423530e-35]
 [0.00000000e+00 2.92700588e-01 0.00000000e+00]
 [2.86581849e-35 7.07299412e-01 0.00000000e+00]]
cellpar =  Cell([[9.435157113852583, 2.0462118293561818e-35, 3.183855237019508e-33], [-4.943748800723653e-35, 9.435157113852586, 6.020795909602828e-19], [-2.8741162080439343e-32, 2.836241672724992e-19, 3.917449989700792]])
forces =  [[ 1.80532834e-09 -2.90743226e-32  1.88618357e-34]
 [-1.80532834e-09 -2.63486048e-32 -9.43091786e-35]
 [-9.45939712e-45  1.80532834e-09  1.15202063e-28]
 [ 5.81486452e-32 -1.80532834e-09 -1.15202252e-28]]
stress =  [-2.98214533e-11 -2.98214533e-11 -3.13506572e-11  4.33543280e-27
 -5.21060202e-36  7.20565911e-52]
energy per atom =  -2.1669329088717997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0