element(s):
['K']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7492', '1.8014613', '1.4161543', '0.65848443']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['K']
representative atom coordinates =  [[0.         0.65848443 0.25      ]]
spacegroup =  63
cell =  [[4.7492, 0, 0], [0, 8.5555, 0], [0, 0, 6.7256]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:38:11      -11.752440        4.3557
BFGS:    1 16:38:11      -12.368717        4.5125
BFGS:    2 16:38:11      -12.985440        4.6463
BFGS:    3 16:38:11      -13.595419        4.7520
BFGS:    4 16:38:11      -14.182952        4.8173
BFGS:    5 16:38:11      -14.751647        4.8280
BFGS:    6 16:38:11      -15.296979        4.7786
BFGS:    7 16:38:11      -15.815279        4.6703
BFGS:    8 16:38:11      -16.301771        4.4616
BFGS:    9 16:38:11      -16.753058        4.2324
BFGS:   10 16:38:11      -17.159758        3.9336
BFGS:   11 16:38:11      -17.509877        3.5231
BFGS:   12 16:38:11      -17.797833        2.9904
BFGS:   13 16:38:11      -18.018951        2.3162
BFGS:   14 16:38:11      -18.172002        1.7859
BFGS:   15 16:38:11      -18.261087        1.9084
BFGS:   16 16:38:11      -18.305828        1.5842
BFGS:   17 16:38:11      -18.342233        0.9786
BFGS:   18 16:38:11      -18.372095        0.1878
BFGS:   19 16:38:11      -18.373871        0.1037
BFGS:   20 16:38:11      -18.374880        0.1105
BFGS:   21 16:38:11      -18.376792        0.1636
BFGS:   22 16:38:11      -18.378319        0.1649
BFGS:   23 16:38:11      -18.379092        0.0971
BFGS:   24 16:38:11      -18.379337        0.0599
BFGS:   25 16:38:11      -18.379444        0.0461
BFGS:   26 16:38:11      -18.379482        0.0184
BFGS:   27 16:38:11      -18.379489        0.0035
BFGS:   28 16:38:11      -18.379489        0.0004
BFGS:   29 16:38:11      -18.379489        0.0000
BFGS:   30 16:38:11      -18.379489        0.0000
BFGS:   31 16:38:11      -18.379489        0.0000
BFGS:   32 16:38:11      -18.379489        0.0000
BFGS:   33 16:38:11      -18.379489        0.0000
Minimization converged after 33 steps.
Maximum force component: 6.235361700201363e-11 eV/Angstrom
Maximum stress component: 3.266206474300485e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K', 'K']
basis =  [[0.         0.66666667 0.25      ]
 [0.         0.33333333 0.75      ]
 [0.5        0.16666667 0.25      ]
 [0.5        0.83333333 0.75      ]]
cellpar =  Cell([[3.9486077622263664, -1.172821533517226e-35, 0.0], [-7.01544283835478e-36, 6.839189263621964, 0.0], [0.0, 0.0, 6.448178100975]])
forces =  [[ 6.39605396e-47 -6.23536170e-11 -1.27167890e-30]
 [-6.39605396e-47  6.23536170e-11  1.27167890e-30]
 [ 6.39605396e-47 -6.23536170e-11 -6.35839452e-31]
 [-6.39605396e-47  6.23536170e-11  6.35839452e-31]]
stress =  [-3.26620647e-11  6.51256013e-12  2.78420484e-12  0.00000000e+00
  0.00000000e+00 -5.35449911e-47]
energy per atom =  -4.594872262431065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC4_63_c, while relaxed is A_hP2_194_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.