16 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=-123.39025390138438 stress="0.0013665568279528973 -0.0005838465435147285 -3.22078638946653e-05 -0.0005838465435147285 0.001280234158475255 8.918355990637816e-06 -3.22078638946653e-05 8.918355990637816e-06 0.0014556781853742426" pbc="F F F" As 21.27544140 20.75162633 21.28148913 4.89092651 7.18822621 5.68078913 As 22.55210001 22.46864501 22.76147517 9.10387955 9.71961510 -37.07368396 As 24.30476879 21.00505582 20.73594820 -2.33931914 7.72532627 8.00711627 As 25.67858111 22.58352372 22.34376228 -8.13570135 -3.59542461 7.11620004 As 20.76820562 23.73765601 21.26111147 8.46809741 -2.79615090 9.43554841 As 22.79963372 25.47927008 22.22147108 0.83768934 -9.18806435 6.09979607 As 24.19736496 23.90306549 21.13856038 -5.24568426 -2.26047541 5.19267326 As 25.49965461 25.77820060 22.09380754 -7.10262819 -6.43536083 2.26664438 As 21.17621204 21.13215382 23.71035018 -19.27814614 -17.91083678 15.84127936 As 22.32314650 22.22116025 25.61719846 4.89813737 4.42966955 -13.54603125 As 24.27680686 21.09967038 23.99640474 -8.55885089 10.08950903 -6.72485626 As 25.56224969 22.34915582 25.49458504 -4.25650453 5.57582166 -3.57710217 As 20.76986142 24.13236414 23.91175620 13.45473553 -5.60382689 -4.23713503 As 22.64278722 25.30772007 25.53790681 0.95007531 -5.93513567 -6.27727888 As 23.73395044 23.71647147 24.07493195 17.31317316 13.10144858 15.17329321 As 25.63169046 25.77607492 25.35287479 -4.99987968 -4.10434096 -3.37725259