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_1959HighCutoff_Mo__MO_666830945336_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 16:28:33      -27.199746         1.474866
BFGS:    1 16:28:33      -27.281310         1.101322
BFGS:    2 16:28:33      -27.373420         0.098381
BFGS:    3 16:28:33      -27.374077         0.009433
BFGS:    4 16:28:33      -27.374083         0.000071
BFGS:    5 16:28:33      -27.374083         0.000000
BFGS:    6 16:28:33      -27.374083         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6843573782615974e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.38510345e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.951922967298334, -1.055777515105156e-33, -1.366497957911869e-32], [-2.5618993033651643e-32, 3.951922967298334, -1.1314761531556843e-17], [-7.99566527731722e-33, -1.1314761531556846e-17, 3.951922967298334]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.68435738e-14 -1.68435738e-14 -1.68435738e-14  9.27679019e-31
  3.04451148e-62 -2.65030192e-62]
energy per atom =  -6.843520685372942
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0