32 Lattice="7.165383799266757 0.0 0.0 0.0 7.165383799266757 0.0 0.0 0.0 7.165383799266757" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.50959605105761 stress="-0.007642414863724712 0.0012789392025903856 -0.0005280134720243698 0.0012789392025903856 -0.007921938380626175 0.001071553508307203 -0.0005280134720243698 0.001071553508307203 -0.006111923194832576" free_energy=-103.50959605105761 pbc="F F F" Fe 0.00559282 0.01557724 0.01133299 0.08946370 0.15030581 0.18333289 Fe 1.77973008 1.76282920 0.02105198 0.02489301 0.32587621 -0.27216930 Fe 1.77991051 0.03041402 1.79027790 0.10436283 -0.57496760 -0.18826317 Fe 0.01754711 1.76681082 1.82660559 -0.63423014 0.12232645 -0.49761811 Fe 3.59795438 0.05990802 0.00710252 0.04949796 -0.09615222 0.07355204 Fe 5.38402992 1.80675365 0.02233895 0.02989186 -0.05972145 -0.13131595 Fe 5.40453734 0.00365729 1.77892934 -0.17752790 0.07489921 0.05313948 Fe 3.61564305 1.82340099 1.80373222 -0.27425058 -0.38888931 -0.27962391 Fe 0.00639770 3.56755459 0.00077940 0.01794735 -0.03213684 0.20333812 Fe 1.79306511 5.32574856 0.02879723 -0.16107385 0.15169077 -0.16550302 Fe 1.75565581 3.58392029 1.82637519 0.16467764 -0.07351416 -0.38097326 Fe 0.02679489 5.38389293 1.80777806 0.00654535 -0.00847685 -0.08155346 Fe 3.58417020 3.61701436 0.01790763 -0.08763015 -0.35948235 -0.44650916 Fe 5.34102383 5.38451968 0.03025621 -0.10712643 -0.10758888 0.12393144 Fe 5.34177413 3.55866071 1.75732704 0.64757365 0.47136166 0.27934164 Fe 3.54818911 5.35238427 1.77308259 0.32383864 0.44399663 0.22809876 Fe 0.00642095 0.03094330 3.57388594 -0.10789603 -0.23238511 0.16157876 Fe 1.76979554 1.76103173 3.54989110 0.20029865 0.34997782 0.52191293 Fe 1.80035278 0.01625730 5.34601389 -0.09237060 -0.13668089 0.08887524 Fe 0.02082251 1.76154840 5.39638779 -0.01264905 0.11611566 -0.15140915 Fe 3.55339782 0.02321346 3.57585555 0.29610727 -0.49223909 -0.11761641 Fe 5.35719359 1.75600659 3.58100513 0.43214484 0.21811915 0.14672452 Fe 5.34858652 0.01491627 5.33968723 -0.12575264 -0.01390388 -0.08614376 Fe 3.57448183 1.75561801 5.37571470 0.15549197 0.37654231 0.19588885 Fe 0.00003885 3.57788527 3.56270074 -0.35099680 0.11009472 0.46102512 Fe 1.82286965 5.37007762 3.59816312 -0.29137571 0.27210038 0.18792233 Fe 1.77158004 3.55722352 5.37988552 0.17766868 0.12964364 0.06260495 Fe 0.02754323 5.34930307 5.39597489 0.20993743 -0.20235135 -0.28879024 Fe 3.60668912 3.58818652 3.56043216 0.00932782 0.06834198 0.61146302 Fe 5.39000362 5.39067052 3.60570913 -0.21401024 -0.14331312 -0.26465200 Fe 5.40922147 3.61669514 5.37332622 -0.29608374 -0.18833043 -0.16185598 Fe 3.59295116 5.40527352 5.37275190 -0.00669479 -0.27125885 -0.06873318