element(s):
['Mo']
AFLOW prototype label:
A_hP4_194_ac
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7695', '3.5762773']
model name:
EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Mo']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7695, 0, 0], [-1.38475, 2.398457355781, 0], [0, 0, 9.9045]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:09:51      -26.403587         3.440823
BFGS:    1 16:09:51      -26.566469         3.110764
BFGS:    2 16:09:51      -26.711277         2.531554
BFGS:    3 16:09:51      -26.827035         1.786833
BFGS:    4 16:09:51      -26.909623         0.940768
BFGS:    5 16:09:51      -26.957946         0.606307
BFGS:    6 16:09:51      -26.974579         0.392956
BFGS:    7 16:09:51      -26.979942         0.254928
BFGS:    8 16:09:51      -26.981834         0.087301
BFGS:    9 16:09:51      -26.982027         0.006375
BFGS:   10 16:09:51      -26.982031         0.000361
BFGS:   11 16:09:51      -26.982031         0.000005
BFGS:   12 16:09:51      -26.982031         0.000000
BFGS:   13 16:09:51      -26.982031         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.124632323900205e-32 eV/Angstrom
Maximum stress component: 2.171768034648789e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.8249220686699252, 8.320229006115495e-19, 1.5089319920075793e-36], [-1.4124610343349626, 2.446454275179443, 2.6146586288297627e-36], [-4.331231378648439e-36, -6.817835778902442e-36, 9.226156841835799]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.12463232e-32 -4.02065028e-32 -4.26454362e-32]
 [-7.54430144e-32  3.01548771e-32  3.79070544e-32]]
stress =  [-1.32944845e-12 -1.32944845e-12  2.17176803e-12  4.36870289e-33
  2.52227179e-33  3.63085560e-28]
energy per atom =  -6.745507706930017
===============================================
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