{ "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 0.953548 0.25 ] [ 0 0.046452 0.75 ] [ 0.5 0.453548 0.25 ] [ 0.5 0.546452 0.75 ] [ 0 0.232571 0.25 ] [ 0 0.767429 0.75 ] [ 0.5 0.732571 0.25 ] [ 0.5 0.267429 0.75 ] [ 0.5 0.16382 0.443319 ] [ 0.5 0.83618 0.943319 ] [ 0.5 0.83618 0.556681 ] [ 0.5 0.16382 0.056681 ] [ 0 0.66382 0.443319 ] [ 0 0.33618 0.943319 ] [ 0 0.33618 0.556681 ] [ 0 0.66382 0.056681 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Si" "Si" "Si" "Si" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "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" 3.78884879 "source-unit" "angstrom" } "b" { "source-value" 11.1432458 "source-unit" "angstrom" } "c" { "source-value" 7.15659723 "source-unit" "angstrom" } }