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=-13.83266325259362 stress="0.0003996967754355248 0.00010637726229340014 -0.0001844947796784053 0.00010637726229340014 0.00038171950127760534 -2.757593767555723e-05 -0.0001844947796784053 -2.757593767555723e-05 0.0003511184529130432" free_energy=-13.83266325259362 pbc="F F F" O 20.91225428 20.76941242 20.79535754 0.00000000 0.00000000 0.00000000 O 22.75278033 22.59200417 22.38382773 3.26911950 4.65778761 0.27346662 O 24.23524949 21.45089486 20.85625906 -0.25428710 0.98321331 -0.03721465 O 25.23677887 22.51683428 22.77093457 -4.97489510 0.04023931 5.00657297 O 20.81630506 23.58802005 20.84474062 0.00000000 0.00000000 0.00000000 O 22.55278195 25.38477302 22.56194135 -3.82690586 -5.06835672 5.47169966 O 23.67477693 23.61790691 20.77426569 -1.08045335 -2.47286911 2.33119505 Be 25.49454085 25.55114214 22.54997140 -1.82897085 -1.50305553 1.45414403 Be 20.82332615 20.81081307 23.95372060 0.00000000 0.00000000 0.00000000 O 22.78055862 22.22950407 25.29998375 2.64383305 -3.16667017 -2.07514224 Be 24.02864404 21.14379487 24.24140249 -0.26022235 5.44372478 -0.37263114 Be 25.73672153 22.74741067 25.60895215 0.00000000 0.00000000 0.00000000 Be 20.75381041 24.25912702 23.74222034 5.31131142 3.51468569 -3.68893621 Be 22.64595422 25.69291102 25.22817044 0.09537222 -0.11228858 -0.06552344 Be 23.84268038 24.19673490 23.84323236 2.02252960 -1.43417402 -7.29431840 Be 25.39618603 25.41489319 25.26048442 -1.11643119 -0.88223656 -1.00331226