element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
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:
['2.7779', '0.90949998']
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 =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:57:37       -5.921768         1.566663
BFGS:    1 10:57:37       -5.953570         0.600230
BFGS:    2 10:57:37       -5.957582         0.038737
BFGS:    3 10:57:37       -5.957599         0.003505
BFGS:    4 10:57:37       -5.957599         0.000390
BFGS:    5 10:57:37       -5.957599         0.000065
BFGS:    6 10:57:37       -5.957599         0.000002
BFGS:    7 10:57:37       -5.957599         0.000000
BFGS:    8 10:57:37       -5.957599         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.338489673001444e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.744093158731992, 1.5462944055756034e-17, 4.987520516521472e-38], [-1.372046579365996, 2.376454385812989, 1.948308409373598e-37], [9.711161326080346e-38, 5.525254381828554e-38, 2.614363237428552]])
forces =  [[0. 0. 0.]]
stress =  [-2.93684736e-11 -2.93684736e-11 -1.33848967e-10 -3.66594338e-48
 -2.24912559e-48 -3.80730381e-27]
energy per atom =  -5.95759883303299
===============================================
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