32 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=225.093530597 pbc="F F F" Zr 0.31416644 -0.23478208 0.46049612 40 -74.37726008 -28.25194466 -68.47301440 Zr 1.37675974 1.32230465 0.34107522 40 20.66973634 19.17819548 -32.22295235 Zr 1.25346517 -0.19725424 1.27715687 40 60.47672271 -24.67242152 61.44668105 Zr -0.09004312 1.39626509 1.32743118 40 -33.32622030 4.21847519 17.25250557 Zr 2.79546282 -0.26875090 0.26913485 40 15.76847958 -16.77852212 -16.24463428 Zr 4.22956938 1.47236119 0.18545717 40 26.76206221 -21.68780160 -44.65959984 Zr 4.73010044 0.33020754 1.66009327 40 21.06877375 -21.67418335 5.52772300 Zr 3.15343482 1.49134458 1.55654917 40 -21.82136500 -9.36187912 17.90702906 Zr -0.24628135 2.73241985 0.07183667 40 -16.31569895 8.43502498 -27.30786397 Zr 1.75086005 4.51258782 -0.10531288 40 1.18944444 9.67829773 -13.16952230 Zr 1.30454100 3.03343697 1.45588739 40 22.57870181 -6.64449073 3.26692386 Zr 0.09706370 4.34681875 1.34431624 40 -17.25552395 37.41113230 -10.10706783 Zr 3.25640077 2.82828792 0.40670370 40 -30.37093849 25.18634913 -32.05671906 Zr 4.36810690 4.62937675 -0.20129170 40 7.16633989 8.38270831 -7.47452496 Zr 4.59119645 2.79640878 1.44873328 40 44.11328961 13.06937446 18.89331933 Zr 3.22084626 4.35263676 1.86661349 40 -9.03460509 23.94433102 -23.81285291 Zr -0.02712382 -0.07836517 2.76192411 40 -20.30497578 -18.89272528 13.65161068 Zr 1.41867027 1.26260376 2.84603407 40 -12.33925899 21.19950106 -5.36589574 Zr 1.66482060 -0.08012617 4.62593290 40 -9.65212272 -21.92780652 20.44142494 Zr -0.02555735 1.46618969 4.41812645 40 -21.04998303 -5.85656164 10.86395666 Zr 2.70122014 0.17337907 2.97769785 40 14.68502137 -36.82582431 -11.71888341 Zr 4.26067717 1.45799474 3.46648909 40 20.72289964 21.78859947 -37.59081555 Zr 4.46850990 0.23432536 4.28353165 40 18.11055500 -47.47345820 32.16895712 Zr 2.70072959 1.51229390 4.34628414 40 -6.14134088 9.22586597 28.70813453 Zr -0.15728247 3.21203778 2.71156333 40 -21.18584951 -8.39562273 22.23001871 Zr 1.67885599 4.65093924 3.15540693 40 -17.59352463 16.92964651 -16.44945452 Zr 1.26922035 2.88121755 4.53806039 40 2.04177677 6.86677864 12.84061592 Zr 0.25655858 4.76599513 4.67918122 40 -12.20070772 10.03761919 10.19031227 Zr 3.14310171 3.00568834 2.99509235 40 -8.80481651 -10.22902339 3.17470224 Zr 4.53099333 4.69045800 3.07166715 40 28.23106509 14.07668724 8.61265411 Zr 4.42588762 2.71223271 4.67379638 40 16.42499637 18.01401600 26.53824692 Zr 2.90411058 4.45742157 4.37252202 40 11.76432706 11.02966249 32.93898516