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=535572.0565857643 stress="-84678.57606800972 -25922.361949626244 866.3523960871432 -25922.361949626244 -83695.84786084527 -6846.17640929839 866.3523960871432 -6846.17640929839 -71163.61426090311" pbc="T F F" La 0.06090546 0.11604511 0.02082391 115915.29114172 -782740.96026249 -884636.81217815 La 1.51941426 1.40957514 0.22225699 -212994.40559362 613542.42782610 -715632.81214870 La 1.71288174 0.13777174 1.38990822 -799845.48970730 -1178503.57879321 608924.53162321 La -0.04796780 1.22293456 1.26347966 896924.60415920 1347702.11122960 991345.09270364