{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.101919 0.413687 ] [ 0.75 0.601919 0.086313 ] [ 0.25 0.898081 0.586313 ] [ 0.25 0.398081 0.913687 ] [ 0.75 0.066482 0.872977 ] [ 0.75 0.566482 0.627023 ] [ 0.25 0.933518 0.127023 ] [ 0.25 0.433518 0.372977 ] [ 0.75 0.777074 0.834476 ] [ 0.75 0.277074 0.665524 ] [ 0.25 0.222926 0.165524 ] [ 0.25 0.722926 0.334476 ] [ 0.75 0.292692 0.295635 ] [ 0.75 0.792692 0.204365 ] [ 0.25 0.707308 0.704365 ] [ 0.25 0.207308 0.795635 ] [ 0.75 0.369277 0.063221 ] [ 0.75 0.869277 0.436779 ] [ 0.25 0.630723 0.936779 ] [ 0.25 0.130723 0.563221 ] [ 0.75 0.936026 0.721876 ] [ 0.75 0.436026 0.778124 ] [ 0.25 0.063974 0.278124 ] [ 0.25 0.563974 0.221876 ] [ 0.75 0.103923 0.070068 ] [ 0.75 0.603923 0.429932 ] [ 0.25 0.896077 0.929932 ] [ 0.25 0.396077 0.570068 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.7839123 "source-unit" "angstrom" } "b" { "source-value" 12.57913034 "source-unit" "angstrom" } "c" { "source-value" 14.01762257 "source-unit" "angstrom" } }