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=-88.3624638245457 stress="-5.8781131202881545e-05 -0.0001302614442645353 4.119970434628067e-05 -0.0001302614442645353 -0.0003374464602409699 0.0001598021760031702 4.119970434628067e-05 0.0001598021760031702 -0.00043893889172949856" pbc="F F F" C 34.61923868 34.71041323 35.30171023 -0.13638423 -0.21218973 -0.14666862 Fe 35.47701556 36.20009134 36.25135582 -1.00805087 2.29591272 1.36014338 C 37.65183828 37.27929373 34.81996838 -7.08663692 -13.21831052 -15.02291583 Fe 38.31883496 38.32637738 36.03427371 9.54920884 12.14958701 15.30377925 C 37.16051264 35.10400758 37.41070323 1.46869537 -0.91554268 1.36577367 C 39.53893668 36.62869989 38.98637514 -0.03076823 31.53304617 -15.70999326 C 34.82925221 37.50689754 38.38482225 -0.34556482 -1.62516509 -2.02973500 C 36.71223044 39.18871457 38.13048649 -3.95495337 -3.00181837 2.22719425 Fe 40.10884049 35.08680162 34.84610428 -2.96644648 -3.71080674 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42.50414350 37.34862787 3.34163843 18.66669873 17.53067225 C 36.27375699 44.10370056 38.94601355 -0.38830247 -20.97765132 -15.26357439 Fe 40.63512248 40.05174758 35.07161612 -7.82253632 -7.68873168 -6.26978373 Fe 41.69493065 41.04897543 36.09892507 1.74818840 -0.62914340 11.84196989 C 42.63594076 42.34804633 35.28552334 19.82661031 28.38008498 12.62040122 C 43.70965842 43.91460734 36.57053331 -17.70949551 -20.94440344 -14.80752169 Fe 42.65841235 39.80456356 37.86203885 19.38957529 10.56873041 -8.88704504 C 43.57858741 41.47418102 38.63445720 -1.25097949 -1.00049593 -1.11880351 Fe 39.56851884 43.17644085 37.73041389 6.04394609 -10.55897040 17.03757687 Fe 41.22390067 43.73127798 38.16010618 13.71612747 2.12399354 1.78361345 Fe 34.76635218 34.77706794 39.80932779 1.97503334 1.44864709 0.39629124 C 36.33587808 36.35417486 41.30845776 1.62881748 -1.08061841 -0.38715295 Fe 36.94536827 37.34906632 39.56770603 -0.99163850 -2.81352592 2.72816352 Fe 39.36441680 39.33975071 42.23500854 6.85388332 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35.82680976 41.03927612 40.78964229 0.38496381 -0.12079157 -1.09609562 Fe 37.62611339 41.90183306 40.50931262 -1.42997526 4.40809020 -3.67650061 C 39.11674277 43.43129565 40.66813893 -0.69579194 -0.20900817 -0.25894917 C 37.78782708 40.30498693 42.20731147 -15.51114285 -11.89092651 -20.29399815 Fe 38.53335603 41.07594333 43.53305410 2.10869935 0.00991972 25.44125308 C 34.88240839 42.52095415 42.37829508 0.61873326 1.10541959 1.17010157 Fe 35.99311782 43.59076995 43.77912512 -0.00491120 -1.22497854 -0.96777905 C 40.71055064 40.01494104 40.15211438 0.15450697 -0.79792033 3.86448208 Fe 41.31403448 41.81354210 41.29227638 -24.07843142 -16.26046669 32.60820472 C 42.12165530 42.48231411 40.16946680 21.97922797 20.50643140 -32.40718835 Fe 44.02357998 43.76494940 41.01875953 -1.29299127 -1.08585065 -0.02160671 Fe 42.11476458 40.19493778 42.23996755 -1.33449454 -3.28561803 0.30538235 C 43.54150769 40.77542572 43.91512209 0.37051106 1.06504202 0.71849425 C 39.48591841 42.47763023 43.06695731 11.20242558 12.54001760 -5.20687652 Fe 41.75650305 43.48089662 43.82478722 -0.79017587 -2.19909156 -2.00238323