16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=71261.27017091736 pbc="F F F" Ba -0.01940829 0.02657740 0.17920691 56 -11627.72139607 -11250.92789602 -12120.00081820 Ba 1.30134800 1.25463684 1.59325006 56 18695.98245854 16498.12164166 3957.83935606 Ba 2.86404733 0.03205936 0.09960913 56 3801.52063317 -4733.38422616 -5412.65649392 Ba 4.27434801 1.60878037 1.77852494 56 35961.92957775 -38353.92006416 -35650.08544273 Ba 0.23768628 2.80829605 -0.00866348 56 -22272.02722555 -26319.01419116 -25299.07091639 Ba 1.13781559 4.44810878 1.06047016 56 12999.95056221 36875.58821632 20985.94121141 Ba 2.92187935 3.11434322 -0.01224415 56 2424.72621685 -4915.41831006 -10168.70417513 Ba 4.24079411 4.28715336 1.70457492 56 26996.01739850 35937.79547591 -24749.87640881 Ba -0.08813052 0.19802343 3.07026468 56 -15298.68862297 -11542.98294420 10229.26750802 Ba 1.57529174 1.41339901 4.54781467 56 -6509.48432896 7465.77366254 14425.11112967 Ba 2.92776194 0.00992760 3.26687725 56 374.00388934 -20799.02813313 -12473.22065519 Ba 4.26446711 1.23898555 4.74198235 56 11093.54175031 4310.86678875 11391.53269649 Ba 0.25627653 3.18767146 3.21628421 56 -42369.56959539 -51766.95514977 -38736.88629653 Ba 1.26227175 4.63107567 4.27460958 56 37526.40257506 55650.81491450 40828.10818368 Ba 3.20876017 2.93759557 2.99350828 56 -63503.96846893 1832.20796082 47803.38821640 Ba 4.46118453 4.03525883 4.53982750 56 11707.38457614 11110.46225416 14989.31290518