16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.561530514304806 stress="-0.0001544909601480839 0.0001181125037398406 9.960636720406454e-05 0.0001181125037398406 -0.0002969882996709121 -0.00014418098201892675 9.960636720406454e-05 -0.00014418098201892675 -0.00027275358239114625" free_energy=-44.561530514304806 pbc="F F F" Si 20.85540510 21.11115480 21.11044915 0.75823751 1.00736172 0.60947220 Si 22.70960170 22.31143450 22.33833517 -2.38674423 -3.47998281 -2.19743873 Si 23.64028300 20.83509776 21.14041416 1.35426714 -1.67097825 -1.46300302 Si 25.27812781 22.51878885 22.30401993 0.90304901 -1.34713191 -0.58389890 Si 20.94009332 23.89640262 21.19710819 -0.05255934 -0.24035248 0.19234502 Si 22.56504129 25.20865944 22.36550211 -5.29686231 6.16932103 3.64235994 Si 23.78802619 24.22277084 21.18584377 5.15943433 -2.66596933 -5.93020406 Si 25.52489630 25.69581920 22.48825709 -0.24980203 -0.50848793 0.57801813 Si 21.08627542 21.17626233 23.77388873 0.65973733 0.78695262 0.68295753 Si 22.45392887 22.49207130 25.58681557 -0.55009496 -0.86206501 0.62315083 Si 24.16981235 20.95774659 24.17830827 -2.07722450 -4.13858925 -2.49340027 Si 25.18381849 22.17330416 25.45407320 2.26911622 3.25503372 2.89372540 Si 21.19178619 24.38184241 24.29140871 -2.21404585 -0.15538577 -0.30804570 Si 22.69798690 25.32838985 25.59714144 1.27855224 0.67458361 1.32148070 Si 23.78091226 24.10609294 23.96603997 1.54497093 4.13673240 4.18636404 Si 25.52692516 25.32157598 25.51361598 -1.10003149 -0.96104237 -1.75388309