32 Lattice="14.00576360902196 0.0 0.0 0.0 14.00576360902196 0.0 0.0 0.0 14.00576360902196" Properties=species:S:1:pos:R:3:forces:R:3 energy=-22.287178066914755 stress="-0.0003154720854986054 0.00010564083946953502 6.39779007799398e-05 0.00010564083946953502 -0.000321559611905891 9.150656422635901e-05 6.39779007799398e-05 9.150656422635901e-05 -0.00032117516216436764" free_energy=-22.287178066914755 pbc="F F F" Ba 0.00921380 0.03482209 0.06934851 -0.00774014 -0.01965854 -0.02737399 Ba 3.56518897 3.49922422 0.04394893 0.04332322 0.10725237 -0.08900129 Ba 3.51537233 0.04615090 3.51875233 0.08136516 -0.07797475 0.09684599 Ba 0.01280725 3.48996683 3.48261211 -0.07812583 0.08646274 0.09947709 Ba 6.93567580 0.06814220 0.02278041 -0.05361583 -0.08830053 -0.05939288 Ba 10.44705584 3.45184707 0.06208657 0.06317926 0.11162738 -0.05911014 Ba 10.49956772 0.03165971 3.46520433 0.02384211 -0.06246852 0.11352326 Ba 6.97871808 3.47066787 3.51963340 -0.08883897 0.17361480 0.17178148 Ba 0.04880989 7.00700123 0.05765211 -0.06580911 -0.09003871 -0.08478793 Ba 3.50282020 10.51126573 0.05608288 0.10244195 0.03762163 -0.04030617 Ba 3.43472892 6.94777775 3.46041056 0.24204135 -0.06645084 0.15620564 Ba 0.02794622 10.45017597 3.51019253 -0.05053097 0.08875686 0.07588536 Ba 7.04397170 6.98908798 0.02324100 -0.11876548 -0.07780158 -0.03655257 Ba 10.44023002 10.51316223 0.02451275 0.03048086 0.01599299 -0.02241626 Ba 10.48925935 7.02545080 3.55732039 0.05373081 -0.11861472 0.08855425 Ba 7.06342413 10.53286840 3.53031977 -0.14306686 0.02699374 0.10387621 Ba 0.06477769 0.04267562 6.98323886 -0.07159806 -0.05183480 -0.08794931 Ba 3.47834751 3.56426581 6.98892278 0.13191186 0.11002730 -0.12074986 Ba 3.45006945 0.05678435 10.43470997 0.11295107 -0.05749440 0.07529728 Ba 0.02799828 3.45558620 10.53532466 -0.05644974 0.12903004 0.02052837 Ba 6.93330796 0.01777173 7.03708417 -0.05235375 -0.04998940 -0.11369631 Ba 10.52918022 3.45860567 7.05242556 0.03443982 0.11991750 -0.12481814 Ba 10.45378817 0.03771228 10.50040034 0.00911931 -0.02644250 0.02680300 Ba 6.99441108 3.56245934 10.46824934 -0.07841830 0.06915694 0.06728735 Ba 0.02157730 7.03052361 6.89967682 -0.06748926 -0.10761630 0.01556644 Ba 3.53930161 10.48205340 7.03523575 0.07761149 0.05106259 -0.12495297 Ba 3.53689439 6.97980505 10.48957278 0.03226633 -0.07935614 0.06056958 Ba 0.07110960 10.54604835 10.56169058 -0.00217732 -0.01739008 -0.01065596 Ba 6.99506463 7.00960045 7.02245981 -0.09703418 -0.12781469 -0.17249945 Ba 10.54114069 10.52728612 7.06687852 0.03172235 0.04517961 -0.09232427 Ba 10.55218648 7.06795768 10.49625074 0.03561461 -0.10949248 0.03897822 Ba 7.00953872 10.45782080 10.50617502 -0.07402773 0.05604249 0.05540798