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=-60.753415874762084 stress="-0.0003177876095010201 8.82985490143476e-05 0.0001560699156319944 8.82985490143476e-05 -0.00024039422072964436 -6.923823095048541e-05 0.0001560699156319944 -6.923823095048541e-05 -0.0002948956318006472" pbc="F F F" Zr 20.91225428 20.76941242 20.79535754 0.64129488 0.83447276 0.64821052 Zr 22.75278033 22.59200417 22.38382773 -5.33067049 0.30438121 3.08373548 Zr 23.96970286 21.29489863 20.93381024 2.19234518 -3.81182883 -4.06832971 Cu 25.23677887 22.51683428 22.77093457 3.10041828 2.76715978 -1.80748013 Zr 21.05456704 23.88755500 20.84358363 -0.87363858 0.01524542 -1.34322684 Cu 22.29375489 25.38477302 22.56194135 2.22815554 2.09770625 -1.74007967 Cu 23.87455773 23.90855725 20.78708097 1.05945373 1.79953544 -0.72999794 Zr 25.49454085 25.55114214 22.54997140 -0.92182211 -0.90997383 0.99381817 Cu 20.81702009 20.83423100 24.13631526 0.60162728 0.56020956 -0.53703081 Zr 22.78055862 22.22950407 25.29998375 -7.59078114 5.29966869 6.08244059 Zr 24.23232047 21.14379487 24.24140249 3.96278553 -10.53046240 -4.20480881 Cu 25.53694073 22.45676034 25.47171949 2.05215555 2.64723418 1.71370963 Zr 20.75381041 24.25912702 23.74222034 -2.73770778 -1.75646061 1.86612101 Cu 22.11299994 25.59309890 25.30460284 0.75159030 -0.10807597 -0.15895204 Cu 23.84268038 24.19673490 23.84323236 1.41982739 1.45031242 1.59538418 Cu 25.46803754 25.65809073 25.31702931 -0.55503357 -0.65912408 -1.39351363