element(s):
['Mg']
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:
['4.2446']
model name:
EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:01       -5.545980        1.2102
BFGS:    1 17:03:01       -5.605994        1.1049
BFGS:    2 17:03:01       -5.749764        0.8151
BFGS:    3 17:03:01       -5.851620        0.5475
BFGS:    4 17:03:01       -5.915440        0.3087
BFGS:    5 17:03:01       -5.945590        0.0979
BFGS:    6 17:03:01       -5.949289        0.0091
BFGS:    7 17:03:01       -5.949323        0.0003
BFGS:    8 17:03:01       -5.949323        0.0000
BFGS:    9 17:03:01       -5.949323        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.503830689923437e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.03935411e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.5024550651564965, -5.8185388420412885e-33, -5.8216048934652975e-33], [-4.974764179362078e-33, 4.5024550651564965, -4.762243489612139e-18], [-3.135351434893437e-33, -4.762243489612143e-18, 4.5024550651564965]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.50383069e-12 -5.50383069e-12 -5.50383069e-12  1.01736681e-27
 -7.91699672e-37  1.73839335e-52]
energy per atom =  -1.4873307402759852
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0