{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.900307 ] [ 0.75 0 0.099693 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.75 0.5 0.400307 ] [ 0.25 0.5 0.599693 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.730828 0.98235 ] [ 0.75 0.269172 0.98235 ] [ 0.475896 0 0.248967 ] [ 0.024104 0 0.248967 ] [ 0.975896 0 0.751033 ] [ 0.25 0.730828 0.01765 ] [ 0.524104 0 0.751033 ] [ 0.25 0.269172 0.01765 ] [ 0.25 0.230828 0.48235 ] [ 0.25 0.769172 0.48235 ] [ 0.975896 0.5 0.748967 ] [ 0.524104 0.5 0.748967 ] [ 0.475896 0.5 0.251033 ] [ 0.75 0.230828 0.51765 ] [ 0.024104 0.5 0.251033 ] [ 0.75 0.769172 0.51765 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Pt" "Pt" "Pt" "Pt" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.98307946691 "source-unit" "angstrom" } "b" { "source-value" 6.22189218852 "source-unit" "angstrom" } "c" { "source-value" 8.816997534 "source-unit" "angstrom" } }