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=1518.2446265357603 stress="-0.12428284532006498 -0.02563724813914597 -0.016292185949694026 -0.02563724813914597 -0.12221502764309794 -0.004479213034136563 -0.016292185949694026 -0.004479213034136563 -0.08505182084515693" pbc="F F F" Rf 20.99520559 21.27290988 21.42274781 -420.13723544 -382.23606698 -213.54875274 Rf 22.73772546 22.41279072 22.40747682 -214.01946776 -473.70528315 695.81426135 Rf 24.25321138 21.01870948 21.07547536 124.38332784 -153.87913521 -129.83254607 Rf 25.56037315 22.76474670 22.84643374 802.43244700 -639.30446020 -368.08045311 Rf 21.24494322 23.78171506 20.99029028 -225.93930004 192.51289228 -161.76380850 Rf 22.46151135 25.39509014 22.78814538 -329.01642732 768.69792772 -637.97950930 Rf 23.82575565 23.84553773 21.07545301 390.62926660 423.39180365 -717.36812928 Rf 25.23187708 25.30811348 22.52759435 720.93622022 819.90922483 -471.75053641 Rf 21.09964314 20.91762123 24.45125539 -307.26091597 -356.14139249 -148.24433791 Rf 22.35800072 22.72471815 25.21513727 519.19100374 -144.31972548 708.05048736 Rf 23.77376995 20.89974360 24.45848902 47.86972361 -380.95344234 -175.36745083 Rf 25.28077197 22.45765137 25.53590118 186.61774777 147.40893048 185.17151512 Rf 21.01976833 24.21852519 24.24089876 -2105.70680119 -868.74284931 -1250.40708151 Rf 22.32932621 25.43421962 25.31785661 1297.19497386 1321.70070972 1271.50126392 Rf 23.93260788 23.98154581 23.70791012 -515.31930244 -291.94190839 1390.72247713 Rf 25.17692047 25.57729042 25.57950365 28.14473951 17.60277487 23.08260077