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:Z:I:1:forces:R:3 energy=24725.37404410983 pbc="F T F" Re 0.34627236 0.29481292 0.00830433 75 -52217.74922397 -23778.77848122 -96476.07741732 Re 1.62936974 1.52731399 0.28968673 75 20015.25515512 28771.18735071 -19102.55097932 Re 1.29727569 0.16633828 1.24818280 75 51847.72306735 -31271.42807936 88949.55240228 Re -0.16645472 1.35512299 1.20398278 75 -19645.22899850 26279.01920988 26629.07599436