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 15:25:51      -26.403587         3.440823
BFGS:    1 15:25:51      -26.566469         3.110764
BFGS:    2 15:25:51      -26.711277         2.531554
BFGS:    3 15:25:51      -26.827035         1.786833
BFGS:    4 15:25:51      -26.909623         0.940768
BFGS:    5 15:25:51      -26.957946         0.606307
BFGS:    6 15:25:51      -26.974579         0.392956
BFGS:    7 15:25:51      -26.979942         0.254928
BFGS:    8 15:25:51      -26.981834         0.087301
BFGS:    9 15:25:51      -26.982027         0.006375
BFGS:   10 15:25:51      -26.982031         0.000361
BFGS:   11 15:25:51      -26.982031         0.000005
BFGS:   12 15:25:51      -26.982031         0.000000
BFGS:   13 15:25:51      -26.982031         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.8953527182191716e-32 eV/Angstrom
Maximum stress component: 2.171448961832674e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.74004387e-51 1.74800877e-50 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.8249220686699243, 2.2024133357335426e-18, 1.343167035549337e-35], [-1.4124610343349622, 2.446454275179443, 2.444681268864611e-35], [5.932523978572816e-35, 1.1397496472095138e-34, 9.226156841835799]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.97954960e-33 -3.76935964e-33  1.89535272e-32]
 [-6.52872240e-33  1.25645321e-33 -1.50375936e-68]]
stress =  [-1.33036007e-12 -1.33036007e-12  2.17144896e-12 -6.55305434e-33
 -1.26113590e-33  1.22689219e-29]
energy per atom =  -6.745507706930013
===============================================
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