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=14.3482712977 stress="-4.546364886237751 0.12854360628151423 -0.24597543433223723 0.12854360628151423 -4.484651881321941 -0.07138362899718333 -0.24597543433223723 -0.07138362899718333 -5.031732511538745" pbc="F F F" F 0.26008946 -0.12324026 -0.17769535 -8.00202571 -8.45641378 -11.83452247 F 1.78460712 1.25346517 -0.23227551 7.99213141 6.79009852 -4.66346456 F 1.27715687 -0.25985109 1.43198894 7.50250074 -7.09277353 10.68820445 F -0.17256882 1.29546282 1.20940621 -7.49260645 8.75908878 5.80978259