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=332520.9633856855 stress="-54740.53411400405 -3852.8228661989083 -29847.444566109352 -3852.8228661989083 -36717.7642601104 112.4377279212021 -29847.444566109352 112.4377279212021 -57348.368364202855" pbc="T T T" Pa -0.05562513 -0.13438038 -0.09472054 -222988.55323144 221147.39444732 224712.10173093 Pa 1.25876159 1.71332274 -0.22060681 995418.57953322 -239484.81556916 1095494.52611249 Pa 1.23131776 -0.00464830 1.68458473 273375.11891157 387414.07855375 -271158.80178317 Pa 0.23276314 1.65072386 1.69771680 -1045805.14521335 -369076.65743191 -1049047.82606025