element(s):
['Mo']
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:
['4.028']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:19:09      -26.972179         1.422570
BFGS:    1 15:19:09      -27.047984         1.068946
BFGS:    2 15:19:09      -27.134822         0.060277
BFGS:    3 15:19:09      -27.135067         0.005571
BFGS:    4 15:19:09      -27.135070         0.000025
BFGS:    5 15:19:10      -27.135070         0.000000
BFGS:    6 15:19:10      -27.135070         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0497644008673e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.08788756e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.954429851293117, -4.419701253323006e-33, 1.9464168630614904e-32], [-4.910901826450961e-33, 3.954429851293117, 3.8607171008387247e-19], [-1.1079209742130082e-33, 3.860717100838843e-19, 3.954429851293117]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.04976440e-15 -1.04976440e-15 -1.04976440e-15  1.32647530e-32
  1.31371590e-34 -2.63660413e-50]
energy per atom =  -6.783767378906483
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0