element(s):
['Mo']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1827']
model name:
SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.1827, 0, 0], [0, 3.1827, 0], [0, 0, 3.1827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:03:31      -21.699849         0.301655
BFGS:    1 17:03:31      -21.702692         0.137896
BFGS:    2 17:03:31      -21.703437         0.001308
BFGS:    3 17:03:31      -21.703437         0.000005
BFGS:    4 17:03:31      -21.703437         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3120665959099213e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1701216647683874, 1.2984362653411203e-33, 1.7765618173753896e-33], [5.1867495404339205e-33, 3.170121664768387, 1.1222841208519441e-20], [-8.803042005782329e-33, 1.1222841208536939e-20, 3.1701216647683874]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.31206660e-11  1.31206660e-11  1.31206660e-11 -4.17933122e-27
 -2.29969304e-34  6.26421152e-50]
energy per atom =  -6.626272319207973
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0