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=20.158578049 stress="-7.4413364255775445 0.8039971459193216 -0.6637256662471589 0.8039971459193216 -6.351499329097536 -1.3257763422681932 -0.6637256662471589 -1.3257763422681932 -6.782646268426846" pbc="F F F" Li 0.07493195 0.13169046 0.23295849 -13.73947128 -15.98264768 -21.42684003 Li 1.60637032 1.79740101 -0.21438134 5.84255029 8.75033493 -6.85026203 Li 1.57730756 0.08177926 1.30522007 18.73832590 -8.72380244 12.44028080 Li -0.21608240 1.34426700 1.51400128 -10.84140490 15.95611520 15.83682126