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=54.6496603708 stress="-49.18497945113228 14.893456535498734 5.0337239173158785 14.893456535498734 -61.60917928222384 33.62527859740728 5.0337239173158785 33.62527859740728 -67.56514682255558" pbc="F F F" In 0.05971573 0.12678487 0.14552962 -29.68414279 -23.26320006 -20.24595065 P 1.68107110 1.32825321 0.13102478 38.79979926 99.26496237 -129.45305446 P 1.59995250 0.26120756 1.51193751 66.59104864 -142.46786361 122.89326641 In 0.25226748 1.46431997 1.54396501 -75.70670511 66.46610131 26.80573870