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:
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_K__MO_749732139672_004
==== 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 15:48:17       -3.237835         0.370701
BFGS:    1 15:48:17       -3.239953         0.365481
BFGS:    2 15:48:17       -3.258290         0.317822
BFGS:    3 15:48:17       -3.273794         0.272870
BFGS:    4 15:48:17       -3.287041         0.241767
BFGS:    5 15:48:17       -3.298196         0.206704
BFGS:    6 15:48:17       -3.307144         0.167768
BFGS:    7 15:48:17       -3.313900         0.131041
BFGS:    8 15:48:17       -3.318691         0.102576
BFGS:    9 15:48:17       -3.322122         0.089027
BFGS:   10 15:48:17       -3.324259         0.103814
BFGS:   11 15:48:17       -3.325036         0.112756
BFGS:   12 15:48:17       -3.325546         0.115278
BFGS:   13 15:48:17       -3.327711         0.113932
BFGS:   14 15:48:17       -3.330413         0.108530
BFGS:   15 15:48:17       -3.334573         0.088349
BFGS:   16 15:48:17       -3.338847         0.057248
BFGS:   17 15:48:17       -3.341889         0.028500
BFGS:   18 15:48:17       -3.342536         0.011520
BFGS:   19 15:48:17       -3.342615         0.005263
BFGS:   20 15:48:17       -3.342616         0.004725
BFGS:   21 15:48:17       -3.342618         0.004254
BFGS:   22 15:48:17       -3.342624         0.004788
BFGS:   23 15:48:17       -3.342638         0.005414
BFGS:   24 15:48:17       -3.342668         0.005439
BFGS:   25 15:48:17       -3.342769         0.012471
BFGS:   26 15:48:17       -3.342914         0.005982
BFGS:   27 15:48:17       -3.343129         0.004536
BFGS:   28 15:48:17       -3.343160         0.005723
BFGS:   29 15:48:17       -3.343164         0.005303
BFGS:   30 15:48:17       -3.343167         0.004672
BFGS:   31 15:48:17       -3.343171         0.005044
BFGS:   32 15:48:17       -3.343180         0.005481
BFGS:   33 15:48:17       -3.343201         0.005767
BFGS:   34 15:48:17       -3.343245         0.005512
BFGS:   35 15:48:17       -3.343311         0.005384
BFGS:   36 15:48:17       -3.343367         0.003455
BFGS:   37 15:48:17       -3.343385         0.001044
BFGS:   38 15:48:17       -3.343387         0.000151
BFGS:   39 15:48:17       -3.343387         0.000007
BFGS:   40 15:48:17       -3.343387         0.000003
BFGS:   41 15:48:17       -3.343387         0.000001
BFGS:   42 15:48:17       -3.343387         0.000000
BFGS:   43 15:48:17       -3.343387         0.000000
Minimization converged after 43 steps.
Maximum force component: 1.8731319713892206e-10 eV/Angstrom
Maximum stress component: 7.516625986826192e-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([[4.770868053611932, 1.1674176929442158e-36, 0.0], [-2.9194895136062215e-37, 8.263385887241274, 0.0], [0.0, 0.0, 7.759705117635302]])
forces =  [[-9.18835765e-34  1.87313197e-10  5.97785938e-33]
 [ 1.83767153e-33 -1.87313197e-10  5.97785938e-33]
 [-4.59417882e-34  1.87313197e-10  8.96678907e-33]
 [ 2.29708941e-33 -1.87313197e-10 -8.96678907e-33]]
stress =  [-7.51662599e-11 -4.79058698e-11  1.65573821e-12  0.00000000e+00
  0.00000000e+00 -3.90818427e-35]
energy per atom =  -0.8358467085337985
===============================================
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.