atat-mirror/data/sqsdb/WURTZITE_B4/sqsdb_lev=4_a=0.75,0.25_b=0.../bestcorr.out

22 lines
810 B
Plaintext

2 0.204838 0.000000 -0.000000 0.000000
2 0.843180 0.000000 -0.000000 0.000000
2 1.000000 0.000000 0.000000 0.000000
2 1.000000 0.222222 0.250000 -0.027778
2 1.002328 0.222222 0.250000 -0.027778
2 1.002328 0.000000 0.000000 0.000000
2 1.020764 0.000000 -0.000000 0.000000
2 1.175707 0.000000 -0.000000 0.000000
2 1.308026 0.000000 -0.000000 0.000000
2 1.415853 0.000000 0.000000 0.000000
2 1.415853 0.222222 0.250000 -0.027778
2 1.433863 0.000000 -0.000000 0.000000
3 1.000000 0.055556 -0.000000 0.055556
3 1.000000 0.000000 0.000000 0.000000
3 1.000000 0.000000 0.000000 0.000000
3 1.000000 0.000000 0.000000 0.000000
3 1.000000 -0.166667 -0.125000 -0.041667
3 1.000000 -0.166667 -0.125000 -0.041667
4 1.000000 0.000000 -0.000000 0.000000
4 1.000000 0.000000 -0.000000 0.000000
Objective_function= -225.774600