32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=1477.033704754738 stress="-0.11180591505713365 0.00045641009648222935 -0.0004992650959011101 0.00045641009648222935 -0.11216801256007858 0.0008952673533261337 -0.0004992650959011101 0.0008952673533261337 -0.11213662885574992" free_energy=1477.033704754738 pbc="F F F" Nb 20.85540510 21.11115480 21.11044915 -67.19468687 -71.75445091 -72.74479734 Nb 22.70960170 22.31143450 20.83833517 -90.37738558 -107.85358292 -253.12776636 Nb 22.28829595 20.83509776 22.64041416 -83.15923846 -244.44517111 -74.24615540 Nb 20.77812781 22.51878885 22.32834452 -226.30944933 -60.32878519 -59.48472756 Nb 23.91048585 20.95894820 21.20259391 20.10051890 -181.85431892 -134.03498594 Nb 25.56504129 22.20865944 20.86550211 124.71187958 -70.93131552 -150.90023975 Nb 25.28802619 21.22277084 22.68584377 168.04108034 -277.04648357 -81.81389362 Nb 24.18362810 22.69581920 22.64685009 232.01109231 -393.84889370 -233.66529448 Nb 21.26959405 24.20225169 20.85402479 -151.12663164 -6.88086251 -194.34975339 Nb 22.70996341 25.49207130 21.15300231 -83.09610853 214.74989591 -227.69235080 Nb 22.53848316 23.95774659 22.41852158 -423.02564661 103.30035553 -275.26793138 Nb 20.95789336 25.38825682 21.99371253 -177.45013333 146.76055329 -27.14294782 Nb 24.19178619 24.17895518 21.29140871 108.21459448 74.76347668 -519.77176076 Nb 25.61455359 25.53253581 21.14904689 128.33888332 126.90433427 -114.70745221 Nb 25.28091226 24.10609294 22.46603997 534.01513770 114.72514527 -109.44541032 Nb 23.80598025 25.32157598 22.51361598 83.34176557 550.92017543 -89.75045437 Nb 20.85198705 20.97567541 24.02705363 -140.23402960 -112.57660276 7.88394607 Nb 22.43745442 22.27846858 23.99451428 -250.48864572 -239.42020655 227.04857771 Nb 22.24710363 20.84140700 25.31668137 -14.28175360 -142.15151654 126.00014899 Nb 20.91986395 21.99956262 25.59073906 -110.65317129 -8.05976134 113.56517831 Nb 23.97398435 20.93381326 24.13132919 59.67762118 -276.85974184 109.65748989 Nb 25.75978669 22.22592512 23.78504734 295.95821059 -82.45520158 140.53977097 Nb 25.68365717 21.20288723 25.58343331 68.33217093 -65.26470840 77.67554764 Nb 24.09460229 22.44809454 25.72094491 38.57548205 -80.06928590 238.57548958 Nb 21.23171545 24.18190327 23.82183498 -350.90410558 79.10782963 101.32220427 Nb 22.71219253 25.42485375 24.12990665 -150.94220801 365.89490893 142.24954029 Nb 22.28220450 24.05569169 25.56210000 -99.21969457 -9.27011177 269.28315600 Nb 21.13362859 25.32702941 25.57034430 -109.13321993 91.14899125 92.07324855 Nb 24.04852473 24.05473499 23.91561068 230.47126751 205.03351366 432.68705354 Nb 25.63661615 25.40480033 23.87719504 196.03978351 182.32043371 79.50143306 Nb 25.29869006 23.99132063 25.26735611 195.30338839 26.30417276 227.68649865 Nb 23.69670104 25.24148635 25.58611608 44.46323225 149.13721472 232.39663797