32 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=1013.3910687496583 stress="-1281.0136184127832 4.652719381613423 -8.07460131178658 4.652719381613423 -1186.5433391907984 -10.309025782217304 -8.07460131178658 -10.309025782217304 -1300.238532773133" pbc="F F F" Ba -0.14459490 0.11115480 0.11044915 -21.98384581 -24.62668002 -30.77525560 Ba 1.70960170 1.34512630 -0.16166483 -9.34413158 -0.47233916 -43.40705699 Ba 1.31428531 -0.16490224 1.64041416 0.90969580 -42.56279109 -2.09577347 Ba -0.22187219 1.24208535 1.29209888 -39.62264006 10.55933201 -2.24128892 Ba 2.78262948 -0.04105180 0.20259391 5.68756366 -37.33863946 -26.08404763 Ba 4.56504129 0.96425659 -0.13449789 27.39455382 -3.30385366 -31.00485606 Ba 4.28802619 0.22277084 1.68584377 27.11305176 -36.97182235 -21.07136340 Ba 2.88541283 1.69581920 1.64685009 5.52364588 -19.20224040 -1.46928959 Ba 0.26959405 3.47501059 -0.14597521 -28.52699967 -10.75178314 -45.17580610 Ba 1.70996341 4.49207130 0.15300231 -3.87590818 42.20455326 -41.86801917 Ba 1.53848316 2.95774659 1.41852158 -21.57832788 -4.71334796 -8.37772385 Ba -0.04210664 4.38825682 1.04332575 -39.98335039 35.24945941 7.54894504 Ba 3.19178619 3.05985705 0.29140871 12.88293526 -7.21723189 -58.31332685 Ba 4.61455359 4.53253581 0.14904689 27.82036436 23.91574117 -22.90925566 Ba 4.28091226 2.96745953 1.52439532 53.94125669 -1.76223340 -5.35178631 Ba 2.80598025 4.32157598 1.26007235 12.61569845 54.63139081 1.48559532 Ba -0.14801295 -0.02432459 3.04523358 -34.35241885 -26.44576551 2.97098344 Ba 1.35747307 1.47917061 2.69794387 -7.24103848 -7.75567087 18.46985046 Ba 1.24211986 -0.15859300 4.31668137 6.97478861 -30.51518588 25.21636749 Ba -0.08013605 1.24190094 4.59073906 -26.21868911 3.16043510 27.65139862 Ba 3.55407201 -0.06618674 3.13132919 -10.97481395 -40.60683564 15.64536792 Ba 4.75978669 1.22592512 2.78504734 45.92419418 11.87481454 13.91025325 Ba 4.68365717 0.20288723 4.58343331 22.33533628 -13.90865270 29.88072913 Ba 2.80586595 1.43262793 4.72094491 0.76298717 -2.98279624 32.87001123 Ba 0.23171545 3.28360448 2.82183498 -45.75753952 1.47662878 1.00462236 Ba 1.71219253 4.42485375 3.00784030 -9.92907682 51.04657289 4.62224490 Ba 1.00124836 3.28278197 4.56210000 3.34674869 -19.46124850 38.05194252 Ba 0.13362859 4.32702941 4.57034430 -37.63923483 38.22727752 23.20855543 Ba 3.04935075 3.30097596 2.91561068 5.86918691 -3.38060351 17.06060385 Ba 4.63661615 4.40480033 2.87719504 37.07986736 36.94944880 3.59379885 Ba 4.29869006 3.25344278 4.26735611 35.56799044 -5.53042191 35.81429569 Ba 2.83533445 4.24148635 4.58611608 5.27814982 30.21448899 41.13928410