64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-28.78023067436533 stress="-0.0005535424522007661 0.00022644863890520492 -5.3663626816477376e-06 0.00022644863890520492 -0.000491393955089522 8.076778213111535e-06 -5.3663626816477376e-06 8.076778213111535e-06 -0.000326108673702308" free_energy=-28.78023067436533 pbc="F F F" Au 35.07742389 34.80766102 35.20177176 0.97785531 0.08588203 1.18275799 O 36.77827796 36.88793279 36.48397328 -2.97442940 1.36078719 0.47383723 O 37.19947704 37.26585771 35.36372212 1.01531626 -0.67555086 -1.93584972 O 38.27282449 38.76368848 36.25554397 1.67449937 3.72851332 0.46893741 Au 37.11043003 34.92604679 37.64455507 -0.63130042 -1.20766060 0.44284297 O 38.44718756 36.67903887 38.50881642 0.79649548 -2.03925962 -2.27614462 O 34.76074070 37.80123457 36.77155293 0.36010750 0.69155416 1.54369641 Au 35.83905584 38.82359302 38.71471096 9.73819994 -9.37723185 -16.34474291 Au 39.79414851 35.07882301 34.68911166 0.33471223 0.53349222 0.92100865 O 40.57016351 35.83968490 36.12744227 -0.39126777 -0.70626474 -0.67761218 O 42.43344992 37.82690065 34.68112761 2.52716169 1.28111651 1.85815060 Au 43.82823055 38.56962328 35.90482951 -2.41815315 -1.15984818 -1.91694869 Au 42.57641902 35.08887585 38.35247011 0.76691754 2.31425646 2.24680242 O 43.85640665 36.44288939 38.93478536 -1.83785035 -1.38488369 -0.71935261 O 39.58004603 37.23735725 37.61138709 -1.52878390 -0.81436214 2.10696673 O 40.82548925 39.06719082 38.66383511 -0.30133104 -4.46134286 0.83265185 O 34.94263183 40.76858674 34.96257738 -0.21609566 -0.03552592 -0.19963497 Au 36.00522559 41.65429937 36.10342551 -19.40235396 -7.76369844 7.31793398 Au 37.60299683 42.46836453 35.35886605 18.84545328 10.17799486 -6.82523286 O 39.18643593 44.07520280 36.18146019 -1.17701372 -1.78617496 -0.51887356 Au 37.77221949 40.33737120 37.60231780 -11.31548384 -10.68480905 -11.29817302 Au 39.12283489 41.27776773 38.66501309 -14.75385328 12.08656922 11.80935506 O 34.91085160 42.66091767 37.57356679 -0.48702049 -1.35303038 -1.92957523 Au 36.21802350 43.39754676 38.33347222 -1.70576409 3.16473157 -4.29648222 O 39.76029128 39.92405309 35.78503427 -0.42309310 0.00061944 0.23838371 O 41.33959979 41.05375286 36.50150174 0.51948742 -1.02471846 -2.31876236 Au 42.38399437 42.90569504 34.81444122 1.17132276 -0.98654933 3.35285806 O 43.67673311 42.82963776 36.28631820 -1.37902595 0.25824706 -2.55930893 O 42.22248627 40.40888016 38.45637526 3.10390915 2.51637668 -0.78979294 Au 44.00238673 41.08193849 39.12229896 25.43397216 -33.21160006 -12.56822921 Au 40.41557061 42.07623522 37.42472124 12.92232250 11.64041117 -13.13513687 O 41.78454815 43.36334003 38.32509684 -0.42959454 -1.30172295 0.59506628 Au 34.90693763 34.81687584 39.73281308 2.59453874 1.50296195 -0.01272742 O 35.39627297 36.62695035 41.77301755 1.45621639 -2.44685894 -1.92293950 Au 37.39349841 36.82236347 40.07736874 -1.05911925 0.23822888 1.18218351 O 39.24228883 38.94750569 40.72329120 1.03266109 0.63846877 0.76819444 Au 37.30026185 35.29553482 42.57991674 -2.35185219 -0.40821462 -0.75797872 O 38.51069070 36.38785104 42.95946612 3.40905571 2.49045323 -0.20073459 Au 35.22265454 37.62776604 43.08672763 0.64194220 3.30283816 1.11579596 O 35.85076264 39.41617031 43.66305644 -0.47041114 -1.79191078 -0.68050722 O 40.32709439 34.67434156 40.01210830 2.54129074 1.29888123 0.93885028 O 41.81105207 35.60369202 40.82721022 -1.89163875 -1.09120773 -0.77135614 Au 41.79140576 37.49167613 40.14281568 -0.79442221 -2.44028339 -1.75312939 Au 43.88423686 38.87245546 41.10593507 11.28728046 -11.75222259 -13.12409687 O 41.85330807 35.23798788 42.77208573 1.11592500 1.51362696 -1.34746394 O 43.52890518 36.42139871 43.43726065 -1.06068641 -0.85410205 -0.37771054 Au 40.28666267 37.67616740 42.63624391 -1.54998359 0.72783652 1.40239357 O 41.42301430 39.12146443 43.76469610 -0.08820430 -0.85017023 -2.66223501 Au 34.75512234 39.58435622 40.12133246 -11.26641969 8.13721263 16.06680954 O 36.24309786 41.88926377 42.15104191 3.03712036 -1.77954996 -3.46436604 Au 37.29715911 42.64534720 40.20357008 1.46522733 -2.89758465 4.34756356 Au 39.19138345 43.50058087 41.68113249 -38.72402581 55.89158685 -26.73841000 Au 37.02269163 40.53988913 42.77549515 -27.48633157 -20.57443010 -17.03635918 Au 38.31729992 41.30926057 43.63465067 26.44969158 14.83472063 21.45618664 O 34.83312722 42.91757855 42.05480916 -4.74737504 3.18721721 0.51170906 Au 36.11491922 43.42212538 43.34359694 -0.55537063 2.49889448 1.02072829 Au 40.49135582 40.34836566 39.64981165 14.17934036 -10.81024340 14.98640047 O 41.88022526 41.31198461 40.92125693 -0.17160440 -0.49076878 0.50925592 Au 42.99568208 42.33895030 39.60241932 -27.03851670 33.70110385 12.75360500 Au 43.76229922 44.01053741 41.68860360 -0.08559218 -0.43981550 -0.42415762 Au 42.94742692 40.01270000 42.36415287 -12.56218505 12.43870440 13.59183939 O 43.59762219 41.19243628 43.54660354 0.19462068 0.17489043 0.16075178 Au 40.00343158 42.39062452 42.25124925 44.00963252 -53.62473333 25.62318273 O 41.56164883 44.01443174 43.91172957 -0.32612220 -0.19184789 -0.24267440