4
Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3929.1419951057314 stress="-690.8677689584196 -54.786811351805255 -39.02479776875084 -54.786811351805255 -440.87248192114777 -42.905595558110996 -39.02479776875084 -42.905595558110996 -673.0217626984247" pbc="T F F"
Md       0.23603406       0.23806559       0.28651916   -6512.46200590   -5250.11385838   -8172.13683520 
Md       1.38013075       1.77169050       0.25145604    5828.20957251    4069.87248849   -5717.21119892 
Md       1.45060004       0.18238868       1.61651966    5666.34101458   -2665.01852631    6705.96852106 
Md       0.09461032       1.67191385       1.54667572   -4982.08858119    3845.25989620    7183.37951305