atat-mirror/data/sqsdb/ZIRCONIA_TET/sqsdb_lev=2_b=0.5,0.5_d=0.5.../bestcorr.out

24 lines
874 B
Plaintext

2 0.577350 0.000000 0.000000 0.000000
2 0.577350 0.000000 0.000000 0.000000
2 0.707107 0.000000 0.000000 0.000000
2 0.912871 0.000000 0.000000 0.000000
2 0.912871 0.000000 0.000000 0.000000
2 1.000000 -0.062500 0.000000 -0.062500
2 1.000000 0.000000 0.000000 0.000000
2 1.000000 -0.250000 0.000000 -0.250000
2 1.154700 0.000000 0.000000 0.000000
2 1.154700 0.000000 0.000000 0.000000
2 1.154700 0.000000 0.000000 0.000000
2 1.154700 0.000000 0.000000 0.000000
2 1.154701 0.000000 0.000000 0.000000
2 1.354006 -0.125000 0.000000 -0.125000
3 0.577350 0.000000 0.000000 0.000000
3 0.707107 0.000000 0.000000 0.000000
3 0.912871 0.000000 0.000000 0.000000
3 0.912871 0.000000 0.000000 0.000000
3 0.912871 0.000000 0.000000 0.000000
4 0.912871 0.000000 0.000000 0.000000
4 0.912871 0.000000 0.000000 0.000000
4 0.912871 0.000000 0.000000 0.000000
Objective_function= -384.459179