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=-1.7416642188388816 stress="-3.489390680659815e-05 7.823500237703837e-06 -6.296289063156875e-07 7.823500237703837e-06 -1.763650892168853e-05 3.6527429312640595e-07 -6.296289063156875e-07 3.6527429312640595e-07 -3.0472496740374043e-05" pbc="F F F" Hg 21.19864330 20.92181508 21.28618767 -0.15923236 -0.08923544 -0.24496697 Hg 22.41597199 22.53700813 22.63608552 -0.04849030 0.56407221 -0.50776279 Hg 23.71300628 20.74233408 20.96622041 0.06064548 0.10664306 0.09828993 Hg 25.24925740 22.79492946 22.42956758 0.60423479 -0.58052383 -0.26124735 Hg 21.08819527 24.17435372 20.87093535 0.00510751 -0.12337926 0.01865294 Hg 22.41747291 25.51509646 22.51977991 0.42357586 0.25216774 -0.12904196 Hg 23.81742014 23.96656289 20.94954608 -0.24835586 0.17198339 -0.17677757 Hg 25.62223333 25.60206144 22.75978814 -0.10337283 -0.11173626 0.03845624 Hg 21.15755308 20.82053580 23.76375850 -0.33477513 -0.18048960 0.24950808 Hg 22.26728863 22.41805985 25.59312927 -0.10753552 0.22298348 0.03796634 Hg 23.56973038 21.08464562 24.04355613 0.66833361 -0.36083613 0.13208897 Hg 25.63979544 22.67030926 25.23379549 0.20038099 -0.16616827 0.13504835 Hg 20.93212662 24.20518827 23.77675447 -0.46256956 -0.44895057 0.09694078 Hg 22.32520956 25.52350755 25.21927694 0.22574917 0.10280093 0.14754840 Hg 23.96363034 23.81278693 24.00890156 -0.65764727 0.70977551 0.46145002 Hg 25.68699695 25.39493382 25.79152704 -0.06604859 -0.06910695 -0.09615340