32 Lattice="7.844076993353697 0.0 0.0 0.0 7.844076993353697 0.0 0.0 0.0 7.844076993353697" Properties=species:S:1:pos:R:3:forces:R:3 energy=-94.51214671827772 stress="0.06770695297127724 0.009190594735637587 0.011740501948868297 0.009190594735637587 0.07894096353499784 0.02082525142852756 0.011740501948868297 0.02082525142852756 0.058548931278753366" free_energy=-94.51214671827772 pbc="F F F" Mo 0.01337821 0.02615916 0.03841594 0.26295451 -0.44524359 1.37554914 Mo 1.96019257 1.91203536 0.01053180 0.36178421 0.74713881 2.51498960 S 1.92997709 0.05093328 1.93053256 -1.18021501 -0.47229372 -2.68834428 S 0.02618794 1.99099786 1.99175894 -0.26692327 1.01305838 -1.10948139 S 3.94575549 0.01349728 0.03277756 -1.49601845 0.38875816 -1.27391537 S 5.87894736 1.97338161 0.03759768 -0.20952783 3.18186876 0.10389794 S 5.84885768 0.02871754 1.94777711 1.37908203 0.38925167 1.50878625 S 3.92731953 1.98707234 1.97919468 -0.19707641 3.92854581 -0.00627352 S 0.03591791 3.96121808 0.00561228 2.74260385 1.62779711 1.12740596 Mo 1.97043312 5.87744946 0.03919458 0.11861927 -0.72877705 -0.03260508 Mo 1.92933836 3.95410011 1.92275214 1.29701689 -4.34650324 1.39387769 Mo 0.02545139 5.87133880 1.98051288 -1.71939532 0.10957838 -1.60682314 Mo 3.93843616 3.92053046 0.03683915 3.47860455 0.03865679 1.38151473 S 5.90074747 5.84395584 0.03909929 -0.53133932 -2.48515983 0.54738221 Mo 5.91999408 3.90285838 1.95275205 -2.01436860 1.78429919 -0.94681266 S 3.95809298 5.86514951 1.95714133 -2.41221089 -2.01666904 0.10514409 S 0.00750838 0.03913483 3.88433715 -1.30923280 0.28710676 1.56186930 S 1.93967546 1.92260842 3.90980741 0.32392081 2.54143869 0.04458520 S 1.96065594 0.00394974 5.86929831 0.07603657 1.89040486 1.50964699 Mo 0.02455557 1.96821425 5.85886200 3.60545634 -2.32753054 -2.18501029 S 3.94457936 0.02287842 3.90309108 2.98926728 1.74511606 3.34934430 Mo 5.89426429 1.99810198 3.90480273 -0.34087983 -3.04832609 -2.99700155 Mo 5.81948102 0.02193263 5.86866894 -0.36849202 -0.89849897 -0.50065337 Mo 3.91861318 2.02043138 5.91716375 -6.71762314 -0.93558159 -2.05758935 Mo 0.01322532 3.94999418 3.94331158 2.25422062 -0.65722098 1.81970393 Mo 1.98734982 5.89304035 3.91534554 0.31813661 0.15740689 1.25489477 S 1.93742209 3.92261764 5.89012848 1.82613501 1.16585472 0.67496735 S 0.01832578 5.89550081 5.85347138 0.61927724 -0.52678403 -2.41982610 Mo 3.88892480 3.91301586 3.89018120 -3.87228036 -0.26833408 -2.88619020 S 5.91314468 5.90674932 3.91524867 -1.48163899 -3.22276939 1.79545033 Mo 5.89138494 3.95338463 5.88394688 2.34778861 1.14117756 -0.65144537 Mo 3.95848428 5.84106576 5.91789674 0.11631784 0.24223351 -0.70703811