{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.043004 0.75 ] [ 0 0.956996 0.25 ] [ 0.5 0.543004 0.75 ] [ 0.5 0.456996 0.25 ] [ 0.5 0.826131 0.562381 ] [ 0.5 0.173869 0.437619 ] [ 0.5 0.173869 0.062381 ] [ 0.5 0.826131 0.937619 ] [ 0 0.326131 0.562381 ] [ 0 0.673869 0.437619 ] [ 0 0.673869 0.062381 ] [ 0 0.326131 0.937619 ] [ 0 0.765184 0.75 ] [ 0 0.234816 0.25 ] [ 0.5 0.265184 0.75 ] [ 0.5 0.734816 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Si" "Si" "Si" "Si" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.97862351536 "source-unit" "angstrom" } "b" { "source-value" 10.9172761579 "source-unit" "angstrom" } "c" { "source-value" 7.27112277626 "source-unit" "angstrom" } }