{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.201382 0 ] [ 0 0.798618 0 ] [ 0 0.701382 0.5 ] [ 0 0.298618 0.5 ] [ 0.5 0.701382 0 ] [ 0.5 0.298618 0 ] [ 0.5 0.201382 0.5 ] [ 0.5 0.798618 0.5 ] [ 0 0 0.767355 ] [ 0 0 0.232645 ] [ 0 0.5 0.267355 ] [ 0 0.5 0.732645 ] [ 0.5 0.5 0.767355 ] [ 0.5 0.5 0.232645 ] [ 0.5 0 0.267355 ] [ 0.5 0 0.732645 ] [ 0.69796 0 0 ] [ 0.25 0.75 0.75 ] [ 0.30204 0 0 ] [ 0.25 0.25 0.75 ] [ 0.69796 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.30204 0.5 0.5 ] [ 0.25 0.75 0.25 ] [ 0.19796 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.80204 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.19796 0 0.5 ] [ 0.75 0.75 0.25 ] [ 0.80204 0 0.5 ] [ 0.75 0.25 0.25 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.42146409592 "source-unit" "angstrom" } "b" { "source-value" 7.77271545975 "source-unit" "angstrom" } "c" { "source-value" 7.91210988201 "source-unit" "angstrom" } }