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:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
==== 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 16:14:12      -13.609357         0.939428
BFGS:    1 16:14:12      -13.635277         0.357530
BFGS:    2 16:14:12      -13.639976         0.025200
BFGS:    3 16:14:12      -13.640000         0.000656
BFGS:    4 16:14:12      -13.640000         0.000000
BFGS:    5 16:14:12      -13.640000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.379614591737345e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1471999703278017, 6.519190305697136e-33, -9.675671979374988e-33], [9.619084652871737e-33, 3.1471999703278013, 1.5684498891454608e-19], [-5.204365332082931e-33, 1.5684498891453946e-19, 3.1471999703278017]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.37961459e-12 -1.37961459e-12 -1.37961459e-12  1.89311307e-28
 -6.48142581e-36  1.32822344e-51]
energy per atom =  -6.820000079529309
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: Mo potential
 Atomic number:           42
 Potential info: Mo potential
 Atomic number:           42
 Potential info: Mo potential
 Atomic number:           42