32 Lattice="7.33538102212 0.0 0.0 0.0 7.33538102212 0.0 0.0 0.0 7.33538102212" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-99.5935693245 pbc="F F F" S -0.20826459 0.00668305 -0.17852425 16 0.41179231 0.46122648 0.26073037 S 2.01498229 1.66496200 0.18035761 16 2.63801133 0.09177220 -4.67451767 Mo 1.66071712 -0.08228081 1.67130463 42 5.90757355 -2.64979736 -3.59312531 S 0.31597495 1.67578994 1.82708593 16 -4.09969854 -0.21944936 5.99703905 S 3.68252559 -0.08869007 0.01517819 16 -0.51649460 -0.61028262 0.15705791 Mo 5.28332083 1.80853878 0.33325979 42 -1.78598202 7.30841429 -4.69133068 Mo 5.31158774 -0.03196438 1.60925859 42 1.04931122 -6.72437966 5.02387602 Mo 3.56647481 1.79743899 2.11687496 42 -1.40013360 3.92364996 -11.17547832 Mo 0.12027217 3.29822692 0.20708119 42 3.09437100 -2.34643094 1.73577222 Mo 2.22857969 5.53722744 0.31975213 42 -5.30831425 1.01419879 -2.51241073 S 1.92452287 3.63792742 1.82013635 16 0.76895416 3.86423807 2.48300574 S -0.15304174 5.38013468 1.62136760 16 2.00029413 0.51760152 0.22304127 S 3.58296137 3.71595327 -0.11957837 16 2.43479753 -0.34255210 -1.83377533 Mo 5.61013916 5.51661406 0.11072205 42 0.11064965 -2.22084893 -1.92958168 S 5.50572294 3.77170109 1.77439792 16 1.78844352 -3.14438032 3.52639176 Mo 3.75682219 5.25218484 1.86979497 42 2.79341344 -2.94122610 5.92819466 Mo 0.15037542 0.01062549 3.44048184 42 -3.72776206 0.64162723 3.57784918 Mo 2.20897331 1.91217948 3.72760588 42 -19.18797184 -7.64270969 -7.62608653 Mo 2.00086850 -0.08857110 5.43918741 42 -1.35175796 -1.63829556 0.93411145 S -0.21113731 1.57364065 5.45868481 16 3.20270207 -0.85223455 -1.12739793 S 3.83496123 0.01408095 3.73628684 16 -3.18325383 -1.90330538 -5.51306965 Mo 5.47539412 1.78910057 3.69978290 42 4.43496559 0.64632650 1.40632978 S 5.38603013 -0.21003844 5.29043191 16 0.65292260 1.63539705 2.60865230 Mo 3.49058925 1.74615147 5.40148413 42 9.99426022 -3.71258386 11.14817619 S 0.35991351 3.64492803 3.68790218 16 -2.80890090 -1.31687022 -2.08370387 Mo 1.85220283 5.35345631 3.93658011 42 -0.62673469 5.05782530 -6.28963291 Mo 1.69338079 3.47412759 5.31583316 42 -5.03983038 1.44755228 12.56747731 S 0.00512003 5.59417757 5.40737673 16 0.78872741 -0.26143057 1.29004537 Mo 3.49724286 3.42552902 3.90174509 42 13.97132506 16.25865287 -3.95002995 S 5.27208721 5.39307621 3.85912901 16 -1.02716256 0.63465804 -1.91027188 S 5.63152582 3.50760684 5.52603610 16 -1.89286936 -3.16217485 -0.58963906 S 3.73248492 5.54387868 5.62853656 16 -4.08564819 -1.81418853 0.63230091