element(s):
['K']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3232', '3.6688101']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.3232, 0, 0], [0, 4.3232, 0], [0, 0, 15.861]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:45      -10.431731         3.918142
BFGS:    1 09:47:45      -10.936773         4.021140
BFGS:    2 09:47:45      -11.438046         4.090548
BFGS:    3 09:47:45      -11.929336         4.131567
BFGS:    4 09:47:45      -12.403558         4.098785
BFGS:    5 09:47:45      -12.852643         3.988836
BFGS:    6 09:47:45      -13.267032         3.781674
BFGS:    7 09:47:45      -13.637233         3.452007
BFGS:    8 09:47:45      -13.953507         2.973439
BFGS:    9 09:47:45      -14.203925         2.311574
BFGS:   10 09:47:45      -14.374312         1.415705
BFGS:   11 09:47:45      -14.446995         0.213978
BFGS:   12 09:47:45      -14.448193         0.027427
BFGS:   13 09:47:45      -14.448223         0.008485
BFGS:   14 09:47:45      -14.448225         0.006630
BFGS:   15 09:47:45      -14.448227         0.000280
BFGS:   16 09:47:45      -14.448227         0.000017
BFGS:   17 09:47:45      -14.448227         0.000000
BFGS:   18 09:47:45      -14.448227         0.000000
Minimization converged after 18 steps.
Maximum force component: 3.583252037769448e-32 eV/Angstrom
Maximum stress component: 1.0039417746929035e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[1.39969293e-32 4.79103469e-33 1.45936068e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.876105895635173, 7.030051607945158e-36, 2.6495694419785775e-39], [-3.005315298323174e-36, 3.8761058956351717, 1.6179122834668636e-17], [9.997277404151118e-54, 6.06039863144775e-17, 13.648898963866394]])
forces =  [[-2.77825283e-68  3.58325204e-32  1.49567314e-49]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.79162602e-32 -2.38883469e-32 -9.97115429e-50]
 [-5.97208673e-33  1.19441735e-32  4.98557714e-50]]
stress =  [ 6.80336538e-12  6.80336538e-12 -1.00394177e-11 -3.25447936e-30
 -9.61625725e-65 -1.75456598e-64]
energy per atom =  -3.6120566728131833
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0