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=35.446394587210285 stress="-5.377298148086563 -1.5998329779933906 -0.5837318858756757 -1.5998329779933906 -7.020412627294541 -0.014654903606450078 -0.5837318858756757 -0.014654903606450078 -5.075158565712074" pbc="F T T" Rn 0.11557020 0.11764228 0.03328633 -45.36898347 -3.78294432 -27.50940091 Rn 1.66424422 1.50156880 0.00832424 28.09112936 1.45819246 -10.63606698 Rn 1.33969898 -0.01840557 1.42861479 91.98214950 37.65937239 24.72975899 Rn 0.26167891 1.57522589 1.43866738 -74.70429538 -35.33462053 13.41570889