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=492074.5993057888 stress="-57145.011132587155 -4986.644174225012 4076.9293121974656 -4986.644174225012 -103288.64227003428 23543.991612998405 4076.9293121974656 23543.991612998405 -58839.212183620715" pbc="F T F" Fr 0.00585379 -0.25263017 0.00380232 -354141.87109783 230202.54544040 -577016.49095090 Fr 1.71646286 1.47919654 0.14748270 387709.75753637 220405.96217781 -573266.78173861 Fr 1.33368015 0.13084681 1.38268606 857865.73212896 -107312.33023110 516798.24811350 Fr 0.29684714 1.64970476 1.51673661 -891433.61856750 -343296.17738712 633485.02457601