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:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
==== 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      -26.927867         1.137092
BFGS:    1 15:19:10      -26.968869         0.547280
BFGS:    2 15:19:10      -26.981939         0.043399
BFGS:    3 15:19:10      -26.982030         0.003441
BFGS:    4 15:19:10      -26.982031         0.000024
BFGS:    5 15:19:10      -26.982031         0.000000
BFGS:    6 15:19:10      -26.982031         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.300663362101576e-15 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([[3.995043102161701, -1.4140782063913833e-32, -9.486763818782198e-33], [-1.876811133039371e-32, 3.995043102161701, -1.276644930389238e-20], [-1.1351164115687541e-32, -1.2766449303883776e-20, 3.995043102161701]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.30066336e-15  4.30066336e-15  4.30066336e-15 -8.66775779e-31
  3.21785358e-35 -1.57557039e-51]
energy per atom =  -6.74550770693001
===============================================
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
 Potential info: Mo potential
 Atomic number:           42
 Potential info: Mo potential
 Atomic number:           42