32 Lattice="63.53718185424805 0.0 0.0 0.0 63.53718185424805 0.0 0.0 0.0 63.53718185424805" Properties=species:S:1:pos:R:3:forces:R:3 energy=-40.86857915628574 stress="-0.0008455259342180383 1.4260731389065948e-05 6.3689103989816645e-06 1.4260731389065948e-05 -0.0009414854153337487 6.595405757181332e-05 6.3689103989816645e-06 6.595405757181332e-05 -0.001133715853968494" pbc="F F F" Es 31.84478964 31.89496445 31.95069524 -9.66443075 -4.61118204 -5.56333907 Es 33.87045760 33.95725827 32.10504564 10.77354451 9.89999888 -11.03025991 Es 33.93148594 31.70644501 33.92278622 0.71251538 -5.26053716 14.37422724 Es 31.73169776 34.39669574 33.90299179 -6.45320314 0.60446376 9.30151099 Es 36.08412024 31.60512828 31.97634476 5.07239864 -0.18806240 -4.00196481 Es 38.32803022 34.18886155 31.96753558 9.71959920 -21.59503023 -12.05541435 Es 38.66415967 31.90476603 34.19307154 -0.01394885 0.02700395 0.04761625 Es 36.17021554 33.98011840 34.11482118 1.76534086 -2.23079967 4.68945028 Es 31.71534521 36.62189961 31.80122974 -1.68868135 -9.60271578 -12.82143815 Es 34.08261274 38.58284571 31.93172059 4.30385743 0.92658866 -2.35952016 Es 34.42214400 36.39142286 34.42403786 -7.49820184 -1.92323654 -6.47048782 Es 31.92158785 38.31905271 33.96642607 -1.73985991 9.10628963 14.35371327 Es 36.49303815 36.25946612 31.92073744 -21.85987555 7.56261198 -11.76632372 Es 38.34183622 38.67267805 31.67308080 7.80417482 1.78632057 -8.47016736 Es 38.46581626 36.18122133 33.86433854 12.14933334 9.17675013 21.63016011 Es 36.60378759 38.58098916 33.88397207 -7.44917822 3.64744827 10.83583848 Es 31.70735981 31.78026742 36.41645157 -3.29787906 -5.36684102 -4.71390847 Es 33.86977238 33.80793240 36.42930028 0.54452548 23.16088553 -19.16422807 Es 34.25655859 31.90061361 38.24751993 -2.98374443 -17.58407832 25.06946806 Es 31.56295958 33.82537561 38.54784915 -0.33570412 3.65663007 3.71475422 Es 36.37483150 31.61721080 36.40476891 4.41538902 -0.45941388 -10.16566143 Es 38.57984993 34.21453425 36.55328485 11.39229101 -6.32887726 -13.88348503 Es 38.32012577 31.67297771 38.65805651 2.49196478 -0.11690094 2.60421321 Es 36.47478950 34.24822439 38.35715853 -13.76873995 -9.97381625 14.88771505 Es 31.75289676 36.42492183 36.53156664 0.95343999 -5.12908890 -4.19258997 Es 34.28676852 38.77984692 36.22169193 -0.77730545 2.22537637 1.97968525 Es 34.12941498 36.43388688 38.69266896 -2.42124663 -2.25719813 -0.25921770 Es 31.68256948 38.66211013 38.40111778 0.51898291 4.14698161 3.22048260 Es 36.41048206 36.39693549 36.51300054 -15.19859223 1.35410159 -16.13264098 Es 38.50481528 38.36628798 36.50870728 6.49328926 23.72572194 -19.79656927 Es 38.40518473 36.47011263 38.36980186 16.62570877 -12.21678899 34.84682211 Es 36.27078549 38.58753315 38.78701508 -0.58576389 3.83739457 1.29155917