16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-19.3258966986 stress="-1.5555773441426277 -0.02443892331382871 -0.4206523340831913 -0.02443892331382871 -1.6462851587709895 -0.029755892887668233 -0.4206523340831913 -0.029755892887668233 -1.551843785924523" pbc="F F F" U 0.12990665 -0.21779550 0.39321057 -2.70764972 -3.64025823 -1.70870431 U 1.56210000 1.63362859 1.53650065 -11.74115239 -12.52084247 -9.32301401 U 2.92547280 0.04852473 0.05473499 1.85170175 -7.15869514 -6.04634140 U 4.41561068 1.63661615 1.45760747 18.89391720 -9.75391080 -0.05666918 U -0.12280496 2.71202889 0.11041876 -11.89708388 -4.53607568 -12.77024869 U 1.11391101 4.33533445 1.24148635 3.78861177 17.97676897 0.57673210 U 3.08611608 2.90610415 0.02598936 -5.34345553 5.36931149 -18.75246803 U 4.22329650 4.46375436 1.40583543 5.76201645 11.03739950 2.94194291 U -0.24440284 -0.29821528 3.12105670 -3.25244248 -3.13409927 0.99747954 U 1.27290972 1.38090187 4.36136659 -2.01546898 -3.85942797 10.00901167 U 2.96884694 -0.25354363 2.98193431 1.12050393 -10.69973728 2.32490050 U 4.42001865 1.70070203 4.20342959 16.78841542 -10.40444528 15.36224191 U -0.09914834 2.99793547 3.00473659 -10.44472952 2.75748525 5.54648281 U 1.44859265 4.48453339 4.60170120 -0.19406813 2.22395330 1.55155593 U 2.87793365 2.71904386 3.00082602 -2.54626688 22.66672647 7.02897559 U 4.49829518 4.34548147 4.51929976 1.93715100 3.67584712 2.31812267