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_1959LowCutoff_Mo__MO_228581001644_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 16:28:32      -25.713677         1.217991
BFGS:    1 16:28:32      -25.768996         0.898310
BFGS:    2 16:28:32      -25.828912         0.109218
BFGS:    3 16:28:32      -25.829712         0.008213
BFGS:    4 16:28:32      -25.829717         0.000067
BFGS:    5 16:28:32      -25.829717         0.000000
BFGS:    6 16:28:32      -25.829717         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2911617042887211e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.966203076252382, 1.0311241940789194e-32, -1.4024774813427716e-33], [1.480994749290129e-33, 3.966203076252382, 1.0955850764035202e-17], [3.2048253112319274e-34, 1.0955850764035203e-17, 3.966203076252382]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.29116170e-14  1.29116170e-14  1.29116170e-14  1.63630265e-32
 -2.13821177e-50  1.26914198e-63]
energy per atom =  -6.457429169566138
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0