element(s):
['Mg', 'Y']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8003']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Y']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.8003, 0, 0], [0, 3.8003, 0], [0, 0, 3.8003]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:15      -18.500713         6.253641
BFGS:    1 12:33:15      -19.191563         2.585361
BFGS:    2 12:33:15      -19.255633         1.646058
BFGS:    3 12:33:15      -19.284499         0.196759
BFGS:    4 12:33:15      -19.284960         0.012795
BFGS:    5 12:33:15      -19.284962         0.000110
BFGS:    6 12:33:15      -19.284962         0.000000
BFGS:    7 12:33:16      -19.284962         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1920011194359442e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Y']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.661407447543885, 8.950745455618294e-33, 3.475067629400463e-32], [-1.1376074205844714e-34, 3.661407447543885, -1.742804060351371e-18], [2.2998857270523434e-32, -1.74280406035136e-18, 3.661407447543885]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.19200112e-14  1.19200112e-14  1.19200112e-14  2.58455515e-30
 -3.06480667e-34  4.48966112e-50]
energy per atom =  -9.64248116814638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0