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=1332.1333685476939 stress="-191.30987940240465 5.3105924516230285 -36.27803745580646 5.3105924516230285 -226.83519732050803 -93.04002430085592 -36.27803745580646 -93.04002430085592 -219.7674485146056" pbc="T T T" Nh -0.06661810 0.26102553 -0.29286301 -1132.31540074 -1274.70270725 969.50457207 Nh 1.22770020 1.26280543 -0.20951830 1938.85242583 3638.03386154 4646.68656495 Nh 1.45446004 0.18640103 1.75039402 677.38355550 -3241.87249934 -3657.80463290 Nh 0.13058208 1.68906095 1.70550627 -1483.92058060 878.54134505 -1958.38650412