32 Lattice="55.78497505187988 0.0 0.0 0.0 55.78497505187988 0.0 0.0 0.0 55.78497505187988" Properties=species:S:1:pos:R:3:forces:R:3 energy=-261.0423358347246 stress="0.0001343776035365497 9.2921626110606e-06 5.673608080337416e-05 9.2921626110606e-06 0.00011034833932285888 -3.0105426127254567e-05 5.673608080337416e-05 -3.0105426127254567e-05 9.264974245685801e-05" free_energy=-261.0423358347246 pbc="F F F" Mo 27.77199177 27.98511652 27.98452848 3.77101656 3.47502320 4.09876343 Mo 30.08755264 29.74932795 27.75776683 0.36993891 0.22479533 -1.36914918 Mo 29.47780177 27.75506899 29.97161517 0.57656256 -1.21976858 -0.72475724 Mo 27.70759404 29.90046544 29.74176183 -2.46200306 -0.73595609 -0.94709015 Mo 31.69598650 27.85827769 28.06131578 0.17340111 1.63343165 1.12698509 Mo 33.92365021 29.43835522 27.78040595 -2.80314734 -0.21750556 1.89982652 Mo 33.69280430 28.07812989 30.03967787 -1.91179310 -0.58523619 -2.17555003 Mo 32.03015202 30.04799073 29.75867041 -2.48106487 -3.80606155 1.17372207 Mo 28.11714923 32.02401388 27.77084151 2.75458437 -1.38698709 2.51940431 Mo 30.05977757 33.86284189 28.01998945 -0.82312633 -0.07495564 0.08491640 Mo 29.91687736 31.84191742 30.06586626 -3.62268577 -3.60740086 -4.72135866 Mo 27.85739866 33.77632982 29.50424619 1.19594868 -1.73889057 0.92371036 Mo 32.03695042 32.02625792 28.13532812 -0.89817064 -0.64697907 -7.57122507 Mo 33.96491046 33.89656232 28.01669327 -1.86514665 -2.58562275 2.44751822 Mo 33.68687602 31.86629094 29.74098020 7.07002983 1.68103234 1.35661268 Mo 31.71544547 33.72076245 29.89615471 0.15814088 6.66786012 0.84799066 Mo 27.76914340 27.87221704 31.97850744 0.50036989 2.56036204 -0.15303052 Mo 29.62140039 29.68514380 31.80590604 0.68335142 -0.40309618 1.23756258 Mo 29.91978325 27.76032669 33.71668361 0.93454511 3.08130648 -0.91331115 Mo 27.82570748 29.67144595 33.94506502 2.74283011 -0.31870745 -3.26768648 Mo 31.85681961 27.83733191 31.98656960 0.77094884 -1.05334080 1.63921834 Mo 34.08593805 29.57378872 31.69800138 3.45131347 0.39620688 4.71168647 Mo 34.02249678 28.06156022 33.93897690 -6.05463708 4.90132569 -5.69681147 Mo 31.70700696 29.84155352 34.05184946 0.76156440 -1.67594606 0.22774099 Mo 28.32047739 32.02871466 31.72865775 -4.81240401 -1.25053680 -2.16996108 Mo 30.06997844 33.80682726 31.98538415 -0.13741686 10.15172626 -2.32169820 Mo 29.69042297 32.11278025 33.92119914 -0.67565074 -6.22341111 8.32424757 Mo 28.00384468 33.81005799 33.82634743 -1.26413343 -0.25389190 -0.09623149 Mo 31.68343576 31.92274109 31.80680417 5.59863835 -5.12799223 2.97029162 Mo 33.98398427 33.79011608 31.97999195 -1.20174862 -1.75452485 -0.77985981 Mo 33.70169086 32.08833092 33.67557923 -3.27187767 -0.86246732 -3.23716091 Mo 31.61906475 33.74604493 33.82048630 2.77182168 0.75620866 0.55468414