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=30.675848246356313 stress="-5.247272680062143 0.27127339047690835 0.11969476746185874 0.27127339047690835 -4.562336799991677 0.03265688710735101 0.11969476746185874 0.03265688710735101 -4.25147945142844" pbc="T F F" Re -0.14801295 0.06329927 0.09073906 26.42603442 -54.64805076 -39.59367143 Re 1.77219963 1.43381326 0.13132919 -29.89636550 48.45257474 -38.64527782 Re 1.75978669 0.18365717 1.70288723 -26.40866329 -44.18453260 39.87750113 Re 0.08343331 1.29585403 1.44809454 29.87899437 50.38000862 38.36144812