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=1234.334957481513 stress="-12.723531006745542 -0.29046107835815727 -0.12634197067328043 -0.29046107835815727 -13.184941477185756 0.6414809267327598 -0.12634197067328043 0.6414809267327598 -12.980390532966412" free_energy=1234.334957481513 pbc="F F F" S 0.03982750 0.21736712 0.20270815 -44.09309297 -75.32088677 -66.09404597 Hg 1.77898347 1.46192307 0.21823327 -34.11699371 5.36366299 -94.89802053 Se 1.35744396 0.09078618 1.75742332 -39.62792388 -126.73565750 -16.91348358 Cd 0.05215589 1.21786022 1.14945254 -92.02557235 28.52437378 10.10135088 Zn 2.79025901 0.18946557 0.15571493 15.70593058 -78.11419141 -87.37119974 Zn 4.77666978 1.77925960 0.02498372 62.85566669 -33.63877657 -52.97122819 Cd 4.45903020 0.06683225 1.43927127 84.16057320 -77.02066165 -13.58249381 S 3.17093812 1.27341055 1.37633299 48.80496401 10.08220394 -55.32194784 Zn 0.23720612 2.76563742 0.24257962 -33.71551350 24.68732088 -49.35156158 Cd 1.48785390 4.56179810 0.21531963 -27.45491749 49.17979113 -64.92236545 Cd 1.63900143 2.96542365 1.41918787 -63.39506155 34.55459649 -49.82530422 Hg 0.16333169 4.70242272 1.56139068 -40.35140384 32.14407432 -21.65972943 Se 3.46252783 2.83828065 0.25386859 -16.00772314 18.86154425 -138.78079128 Te 4.53152318 4.25008333 0.18364777 41.08477760 125.85166917 -122.89114448 Te 4.71362006 3.15569519 1.37564235 137.39501433 -25.75768418 69.32675925 Se 2.95625491 4.76845365 1.43256865 -19.15241849 103.27496140 -40.41868607 Zn 0.08972426 0.00385152 3.49734065 -52.55248990 -54.41221022 5.63018498 Te 1.77642377 1.65143204 2.89916310 -81.82239241 -39.62173427 26.36969336 Te 1.72337938 0.24934237 4.24574113 -6.13186465 -120.51734613 107.98039826 Cd 0.03068862 1.45428837 4.34442536 -74.08849246 -5.45267786 61.16386196 S 3.17091975 0.03209935 2.71196690 28.40103684 -129.11802658 57.64699918 Hg 4.47707430 1.77861409 2.70224922 97.11058557 -27.43821313 25.33455586 Hg 4.26456712 0.24041959 4.74866818 28.32984874 -32.52794265 35.18883139 Zn 3.00355292 1.65098052 4.37888413 46.63853732 -7.23569296 94.07241312 Te 0.14016350 3.04825179 2.96787082 -134.04697511 40.58165953 17.88798987 S 1.59643700 4.25953013 2.93339014 -5.47260096 78.82840207 7.83053350 Cd 1.58006575 3.24732680 4.49147032 -10.40648315 31.07868197 94.38401014 S 0.16936209 4.73073760 4.51291827 -38.05876202 34.56645230 37.84814472 Se 2.78571958 2.76252696 3.10269921 59.74226171 81.57378421 52.71055852 Se 4.40481895 4.51588112 2.72532544 91.54447763 69.35025648 60.21116701 Hg 4.76855282 2.61728416 4.58054212 43.24748439 8.91833827 52.34169323 Hg 3.07347327 4.41356104 4.32555014 27.49952296 55.48992871 58.97285693