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 12:33:42      -18.500713         6.253641
BFGS:    1 12:33:42      -19.191563         2.585361
BFGS:    2 12:33:42      -19.255633         1.646058
BFGS:    3 12:33:42      -19.284499         0.196759
BFGS:    4 12:33:42      -19.284960         0.012795
BFGS:    5 12:33:42      -19.284962         0.000110
BFGS:    6 12:33:42      -19.284962         0.000000
BFGS:    7 12:33:42      -19.284962         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2984594104317417e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Y']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6614074475438856, -1.349250797725807e-32, 3.203228235158134e-33], [1.7840628724936975e-32, 3.6614074475438856, -1.742372255281427e-18], [2.320075534881788e-32, -1.7423722552814493e-18, 3.6614074475438856]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.29845941e-14  1.29845941e-14  1.29845941e-14 -5.69547184e-30
 -6.12961333e-34  1.37958456e-49]
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