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:forces:R:3 energy=-72.6623537962 stress="-0.3702225225473895 0.007815531884174647 -0.09528917764671561 0.007815531884174647 -0.2959177394997466 -0.0842281868637199 -0.09528917764671561 -0.0842281868637199 -0.485023658529813" pbc="F F F" Be 0.05791531 -0.26612504 0.08501927 1.16330852 2.16298777 5.07980440 Be 1.79816256 1.50693356 0.16501753 -0.57946764 -2.87364844 -3.19507521 O 1.72580078 0.10737794 1.68883157 -2.46995123 -3.66715310 -4.12035063 O -0.00044125 1.54313966 1.44832183 -3.55847914 -2.60865996 -2.16033962 O 3.25980354 -0.03332758 0.27143892 3.37627252 2.68220706 -2.46344081 Be 4.59400107 1.60338854 0.24759167 1.24705364 -3.39869680 -4.08380938 Be 4.61018303 -0.07481803 1.24663523 2.47781002 -2.33316981 -1.23895170 Be 2.98702489 1.44857885 1.65694086 -1.11729231 -3.56685335 -0.12636345 O 0.17061300 3.29169807 -0.03136998 -0.48444996 -1.95679591 -7.93762508 Be 1.44630638 4.49134709 0.14982991 -2.94955142 1.03321864 -1.85484597 Be 1.03148552 2.82929456 1.28747849 2.62662446 1.89715745 1.92875450 O -0.10523254 4.37993804 1.78095696 2.09512054 5.79297205 1.55910971 O 2.82464588 3.26008946 -0.12324026 -8.26110680 -0.94533928 -3.71346465 O 4.32230465 4.78460712 -0.24653483 0.87377203 2.24426813 1.73397242 O 4.26772449 2.77715687 1.24014891 1.30971647 0.67566562 6.18146067 Be 2.93198894 4.32743118 1.29546282 5.79398965 0.56077730 -4.07844666 O -0.29059379 0.11893942 2.43029897 -2.25471724 -0.23649210 -1.89795321 O 1.33885520 1.53926819 3.23010044 1.76403777 6.51061435 -2.42917702 O 1.59566688 0.13758372 4.62033173 -1.97916078 -0.51859693 1.36283287 Be 0.17828948 1.71182891 4.29301824 -3.95906665 -3.57261425 4.11753659 O 2.73241985 0.07255377 3.01129231 1.78614208 -2.11713116 1.85838635 Be 4.51258782 1.66911338 2.80454100 2.06637782 -4.46449283 4.33338138 O 4.46994162 -0.04411261 4.45297513 1.75483661 1.90516454 -2.38185864 O 2.84681875 1.36894099 4.54737131 1.03051647 2.96457978 1.45720385 Be 0.03238783 3.24404962 2.86810690 -4.17239059 -3.15704028 4.33934138 Be 1.62937675 4.25818085 2.88181397 -3.70695824 4.63899068 0.15103000 Be 1.29640878 3.21456242 4.77913633 2.00289331 2.05555481 0.34117049 O -0.14736324 4.68492541 4.33178173 2.50853778 -3.00601811 -1.62861293 Be 2.88323780 2.76192411 2.96490969 -0.89596681 0.87688846 2.52238937 Be 4.26260376 4.62263099 3.04530481 0.59170971 4.10350789 -0.38814525 Be 4.45206007 3.36932567 4.34000708 -0.22460088 0.35932214 2.28031676 O 2.89901191 4.41812645 3.91278347 2.14444026 -2.04117437 4.45176951