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=-70.11343328642663 stress="0.0004991129515888786 0.0007708956781624903 0.000539330760629427 0.0007708956781624903 -0.00013156770206716216 -0.00025192794543085545 0.000539330760629427 -0.00025192794543085545 -0.0002978010486680016" pbc="F F F" Rg 21.22682718 21.22371595 20.70409142 3.71291261 2.52388270 4.60992555 Rg 22.72264861 22.25682974 22.72790838 -5.09153563 19.38108110 -3.02934703 Rg 23.88906040 20.97807227 21.26230198 2.42993201 -1.08531125 -1.92249936 Rg 25.55304784 22.57527204 22.52844980 -7.77597584 0.68345489 2.48560570 Rg 20.72483720 24.18319510 21.23648852 4.63153321 -1.97699025 3.28695221 Rg 22.63453730 25.67285016 23.04636213 -3.41381868 3.03916976 -26.46885049 Rg 23.59665750 24.05581012 20.72535738 -1.82515327 -2.34508824 6.28300575 Rg 25.24201195 25.79062798 23.01457434 -3.30164118 -2.52496008 1.84849513 Rg 21.10776293 20.88106792 23.63996924 1.12130336 0.37403181 1.53884097 Rg 22.78247263 22.37727471 25.29066838 -20.10161186 27.90913384 16.28452278 Rg 23.75173197 20.89378426 24.17050819 22.54299805 -29.93082039 -15.98310795 Rg 25.21710728 22.43326871 25.58129300 -3.27576401 2.38954347 -4.60166334 Rg 21.13373731 24.03361828 24.13173355 6.06125453 -3.37028863 -2.91107576 Rg 22.68016279 25.56191632 25.20849571 -5.41333941 7.22091608 28.32733830 Rg 23.88348155 24.10017630 24.08834765 13.96575725 -19.53628827 -5.96270324 Rg 25.58409813 25.38729306 25.51872027 -4.26685113 -2.75146654 -3.78543923