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=33740.434574788414 stress="-5513.8377312159355 -469.10307572225065 2501.1588593317892 -469.10307572225065 -2299.644481491379 374.92664440903053 2501.1588593317892 374.92664440903053 -7432.42676593237" pbc="T F T" U 0.14747851 0.19300718 0.01721882 -26614.18995167 -22812.51895029 -14930.36923725 U 1.24747580 1.76327940 0.28274954 91226.89437414 27442.78547098 -81458.53665790 U 1.49595778 0.01431336 1.37319781 17855.82199575 -15173.22233735 18050.44815138 U 0.18048428 1.73777287 1.60346548 -82468.52641822 10542.95581667 78338.45774377