108 Lattice="13.525660036649974 0.0 0.0 0.0 13.525660036649974 0.0 0.0 0.0 13.525660036649974" Properties=species:S:1:pos:R:3:forces:R:3 energy=-110.81371832273243 stress="-0.009520504755238718 0.002834489710751006 -0.0009499977141884276 0.002834489710751006 -0.01297808434746029 -0.0015706795677472552 -0.0009499977141884276 -0.0015706795677472552 -0.010625072178398906" free_energy=-110.81371832273243 pbc="F F F" Te 0.03575464 0.01636452 0.02003450 -0.70235308 0.12612262 -0.76103653 S 2.23109925 2.25711470 0.02113330 0.81370974 0.36468312 -0.17827488 Te 2.28977822 0.01626142 2.19341148 1.45612412 -1.29848731 0.28125318 Se 0.04449630 2.29643392 2.23587584 -2.40127030 -0.99616970 -0.96413828 Zn 4.54515872 0.01126277 0.02265597 0.08406737 1.41805648 2.46204991 Zn 6.80494088 2.25913780 0.03297208 0.63681022 -1.10418954 1.72031391 S 6.72000663 0.02141045 2.18480582 0.41064015 2.77713356 0.04297670 Se 4.51559070 2.29854425 2.22155164 2.82106293 -2.30935243 -1.76282078 Se 9.06191928 0.02893274 0.01500648 -0.90781006 2.21063948 1.82430268 Hg 11.24175466 2.22554974 0.01705350 -1.27766649 -0.45641006 0.57543087 Se 11.28008196 0.00649471 2.29531471 -1.86176663 2.23137506 0.92727659 Zn 9.01848732 2.29304813 2.28602048 0.14294753 -1.95375526 -0.42490113 Se 0.00911813 4.58002943 0.01452466 -0.53076214 0.01408797 -0.05751343 Te 2.27778070 6.71026240 0.03726351 -3.55307379 -0.20016727 -7.29019889 Te 2.26615453 4.52220351 2.24080490 -1.98463329 -2.65691339 0.29097965 Zn 0.06745379 6.73061534 2.28250197 -0.52928773 0.43469966 0.29893641 S 4.46893566 4.51353745 0.01137854 1.60516634 -1.59870091 -1.44427249 Zn 6.70474914 6.72128751 0.02803435 0.53111788 0.13323877 -0.23783046 Cd 6.74536870 4.50082248 2.25241427 0.88245615 -1.55445379 -0.95128406 Te 4.52052189 6.73124142 2.21224676 6.46824821 1.64170469 3.67575644 Se 9.09316563 4.49926120 0.01097105 -0.34725838 -2.07520327 0.23369876 Cd 11.21338545 6.70520200 0.01279330 0.82125157 -0.18166549 -0.85794094 Hg 11.26230189 4.50203021 2.28173565 0.56904745 -0.16258881 0.45433392 Te 9.01592146 6.78469815 2.21454627 -1.28070833 -1.83203520 1.09820372 Zn 0.04181955 9.00647818 0.02801493 -0.79453269 -0.56189537 -0.56453719 Cd 2.21199668 11.25713595 0.00768615 0.45163658 1.36780884 -1.16373963 Te 2.23697424 9.04121049 2.22160908 -0.65555735 1.43264449 5.02215840 Te 0.00322506 11.26052118 2.26176751 -1.67689249 1.35002892 0.88040813 Cd 4.49009336 8.98758972 0.00726858 2.74015265 2.47575472 -2.45843534 Zn 6.77905331 11.30015071 0.02186421 0.24330727 -1.56817488 1.23219346 S 6.76578834 9.04481997 2.17124533 -1.22957369 1.91950074 -0.47228384 Zn 4.54448076 11.29063744 2.24207453 1.76687512 -0.89442567 0.96974469 Te 9.05143370 9.04838398 0.02367152 -1.19171400 2.14243782 -1.72019061 Hg 11.25878512 11.28148455 0.04287597 0.10141411 -0.72252450 0.19097523 S 11.23693161 9.02641572 2.30812213 1.26193263 1.42974096 0.03503488 Hg 9.03915605 11.29625594 2.22926402 -0.56710406 -0.41612374 1.20227836 S 0.01901968 0.01188677 4.48921487 1.08598395 0.80739709 0.17304041 Se 2.21636348 2.24781002 4.47008303 1.79905290 -3.82495740 1.98153446 Hg 2.24711842 0.02470509 6.75515720 -0.05552962 -1.45964464 -2.07444905 Te 0.01028380 2.21210865 6.72533054 -3.61017262 -1.27663520 -1.24462827 Hg 4.58265396 0.02372968 4.47629282 0.29117019 0.58346750 -1.12755283 Zn 6.78485343 2.20935273 4.49859444 0.65752004 -1.16616756 -0.31988995 Hg 6.72037310 0.03776945 6.77416189 0.79857824 -0.78519615 -0.97975996 Zn 4.54757105 2.26758814 6.76411570 0.22598794 1.07196917 -0.99387102 S 9.05816416 0.03851868 4.54433251 -0.43559187 2.41306496 -1.48822198 Zn 11.28787534 2.28976878 4.47768222 -1.18053138 -1.14259549 -0.40125938 Hg 11.31440828 0.02946139 6.77384767 -0.82196433 0.90301545 0.08027057 Te 9.06747673 2.29320548 6.75869298 -0.32181066 -1.61082068 -0.96903846 Cd 0.02970867 4.49793974 4.48829546 -2.58120895 1.08575546 0.20444688 S 2.24470387 6.72572705 4.55522057 -1.16504249 2.61049368 0.02146813 Se 2.25051098 4.49663412 6.69027355 1.95045225 -0.06341880 0.87204020 Te 0.02881952 6.79115066 6.78874535 -1.55062112 0.96983782 -1.10681347 Cd 4.47513762 4.53661422 4.48314480 2.16106447 -0.85116664 2.72882096 Zn 6.74866952 6.80635583 4.58294622 -1.15181978 -0.46644903 0.33506996 S 6.80151650 4.54460982 6.78745716 -1.14571701 -0.82489314 -1.04949266 Se 4.51483098 6.79534446 6.73251814 1.43112767 -1.38459372 -3.07901570 Hg 9.02635197 4.48447283 4.48985210 0.00609914 0.04037796 1.04190098 S 11.27874088 6.80537564 4.52546886 0.19177515 -0.66774515 0.34147309 Se 11.23889684 4.50380586 6.78553166 0.88872544 0.32073533 -1.11614478 Cd 8.97343560 6.74475700 6.73532203 1.58642553 -0.97516322 -0.83985583 Zn 0.01069085 9.04107990 4.48027906 1.22401750 -0.56559236 0.97220624 Zn 2.20822601 11.27635677 4.50023956 -0.30715115 -0.94992517 0.64408216 Se 2.24962109 9.01284604 6.77745536 -2.31300085 1.46470891 -4.88279591 Hg 0.02453673 11.26944689 6.77417922 0.86765112 -0.45159697 -0.01414161 Zn 4.42781893 9.07350313 4.48234582 -0.51575664 -0.25528592 -0.10823615 Se 6.78632501 11.29615237 4.53723955 -1.21181110 -1.18164346 -0.80890660 Cd 6.70759521 9.00174767 6.79518142 0.05785799 2.51872406 -0.69169682 Cd 4.48254455 11.28378069 6.80365663 1.06854708 1.27825503 -0.71704821 Te 8.99563064 8.99618704 4.47079481 -0.18806413 2.21985175 0.63186984 S 11.27549678 11.22842852 4.51863766 -1.07736140 -1.31387721 0.30345422 S 11.23482176 9.03595844 6.81711697 -0.32448682 0.95374288 0.01386985 Hg 9.07948158 11.30607348 6.78054201 0.32355908 -0.48844689 0.16944475 Zn 0.05142241 0.02737025 8.96083414 -0.02267527 -0.51475774 0.79744636 Te 2.23569611 2.23487734 8.97653660 1.56097540 1.31526965 2.18348356 S 2.24205776 0.00571293 11.26488025 -0.45078369 1.29481133 -0.60604127 Cd 0.00161432 2.26811379 11.21792274 0.88710845 0.10392770 0.24286954 Te 4.54630930 0.03355886 9.01422500 0.76928312 -2.13912013 0.31577217 Hg 6.74894945 2.22061930 8.98451746 0.66415677 1.55127586 0.90157533 Cd 6.75241365 0.01886171 11.28688776 0.61284436 1.25449523 -0.06094374 S 4.54600322 2.23306516 11.24248725 0.05131451 1.01618664 -0.01754793 Zn 9.02069584 0.02945484 9.03272231 0.69642425 1.40990218 0.56023622 S 11.28604967 2.21354340 8.97573301 -1.37433000 -1.00119433 0.62768939 Cd 11.26595604 0.01099934 11.23443981 -0.81015814 1.29621188 -0.85711898 S 9.05818624 2.23395498 11.23803919 -0.20387919 -0.80624818 -1.80989177 Se 0.01265588 4.46584632 9.00098861 -1.28537228 1.21035303 1.99747033 Cd 2.33782293 6.72141911 9.00310323 -0.51867028 -1.22408496 2.36503889 S 2.26924370 4.49709948 11.31038886 0.63239998 0.32452130 -1.15896052 Hg 0.00969018 6.80078960 11.26658581 0.32734110 -1.22842256 -0.54788482 Hg 4.53020848 4.52425504 9.00095632 -0.45077314 -1.09974011 -0.26641470 Te 6.75399163 6.79576761 9.03686513 -1.08678138 -1.41781146 -1.28370372 Cd 6.81865494 4.51916040 11.27039774 -0.59823334 -2.93526236 1.71684085 Cd 4.53265039 6.74530639 11.26384102 -1.40644363 -0.62820308 1.53415726 Se 8.95346897 4.46380332 9.00556280 0.72673541 -2.07031010 0.92937224 Cd 11.26604429 6.75362977 9.05036216 0.95844064 0.01063855 -1.20994942 Hg 11.28230711 4.53797616 11.26801140 -0.89524691 -1.14329362 -0.62961530 Te 9.02951469 6.72570534 11.31554143 1.90696080 0.11494492 3.44308585 Cd 0.00118866 8.97021463 9.09616739 -0.24648745 0.54788310 0.15698932 Se 2.27078310 11.31352466 9.01513343 -1.56349279 1.06461180 1.51767166 Hg 2.22934458 9.01710621 11.31005507 0.45231552 0.32114776 -0.10092601 Hg 0.01780475 11.28811946 11.20788813 0.41798506 0.10208734 -0.51848357 Se 4.48958854 9.04478596 9.00492266 0.09147632 1.75776662 3.17343193 S 6.79026715 11.24607480 9.02211413 -0.01566415 -0.26469039 -0.23299511 Se 6.77250707 9.03990883 11.23423971 -0.56457056 1.84543598 2.06163908 Hg 4.51350152 11.27540960 11.26072851 0.62519832 -0.43411340 -1.11431551 Se 9.03895329 8.98164176 8.99076550 1.99268583 2.59281364 -2.09983323 Zn 11.24483196 11.24508063 9.00835173 -1.15896486 -1.20478986 -0.56198112 Cd 11.19973875 9.07365191 11.30830282 0.20559843 0.29231068 0.50959732 Te 9.00053375 11.26395872 11.23798881 0.09932547 0.22344350 -0.56884204