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=70.82807519845841 stress="-459.84951102355 -29.850226182590966 -26.31262290510547 -29.850226182590966 -494.6801617891394 -38.65173021231544 -26.31262290510547 -38.65173021231544 -482.7654420755805" pbc="F F F" S -0.08409629 -0.22047905 0.03279808 1.05681746 -0.07236906 -0.05739889 Mo 1.75551247 1.35444624 -0.00811119 -11.00992125 5.89804475 -16.96191447 Mo 1.80887658 -0.15379940 1.51821382 -12.19473162 -9.91087912 -5.73444583 S -0.29424575 1.46963223 1.65586213 -15.59390444 -13.70102943 -25.30690809 Mo 2.90395547 -0.16773400 -0.26950400 12.07106052 -16.45686656 -11.21538672 S 4.62036030 1.32441938 0.24843919 6.82684825 -1.14524209 -10.74958857 S 4.64432661 -0.23976508 1.74849743 10.77876957 -6.15388774 -8.24045067 Mo 3.25911890 1.69019325 1.69877714 -24.41179038 -17.66340058 -36.00492604 Mo 0.10881314 3.13250256 0.10031152 -19.99552447 -17.81817163 -12.50679301 Mo 1.55442580 4.35431870 -0.21988289 10.52432709 15.10761336 -10.87944420 S 1.76509802 2.81609616 1.23387496 -8.61371457 11.50548696 5.70434196 Mo 0.08501927 4.56603388 1.50693356 -16.99362419 16.10497831 -5.23384115 S 3.25621398 3.22580078 -0.07133680 -1.75714116 -11.17328488 -23.45423804 Mo 4.68883157 4.49955875 0.04313966 13.52110407 13.19668056 -11.80590667 S 4.44832183 3.25980354 1.46667242 36.36458228 -14.29506592 6.44210865 S 3.27143892 4.40295338 1.39979731 -16.92045167 32.80085539 6.89450212 Mo 0.24759167 0.11018303 2.92518197 -18.15168707 -28.36250784 2.44625316 S 1.24663523 1.48702489 3.16314127 25.47031331 6.78928296 -8.15608271 Mo 1.68843096 0.17061300 4.79169807 -23.47535184 -34.62683247 8.85727102 S -0.03136998 1.44630638 4.53851086 -24.80284862 -7.19078292 15.83771692 Mo 3.14982991 -0.25204613 2.82929456 3.16729481 -12.02739631 19.56512784 S 4.28747849 1.67390379 2.87993804 44.45013195 -12.59113436 27.93114517 S 4.63359372 0.00957129 4.59187119 1.91594654 -4.63645262 3.45394568 Mo 2.87675974 1.32230465 4.78460712 28.22002299 19.37943686 8.13258894 Mo -0.24653483 2.76772449 2.77715687 -7.99654036 13.04143367 9.67397025 S 1.24014891 4.43198894 2.82743118 13.85284208 10.02013506 17.09669434 Mo 1.29546282 2.70940621 4.61893942 9.72523231 18.96435321 18.11220284 Mo -0.27043062 4.33885520 4.53926819 -3.79398635 6.69551791 4.37921397 Mo 3.23010044 3.09566688 3.00852762 -30.01261042 19.49309305 11.38305998 S 4.62033173 4.67828948 2.97375302 8.54291510 9.58026637 3.16056220 S 4.29301824 2.69732954 4.57255377 12.40028310 5.87948258 12.46613234 S 3.01129231 4.51258782 4.66911338 -3.16466303 3.36864254 4.77048769