{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.979361 0.25 0.75 ] [ 0.020639 0.75 0.25 ] [ 0.626556 0.25 0.25 ] [ 0.373444 0.75 0.75 ] [ 0.499961 0.75 0.909056 ] [ 0.500039 0.25 0.409056 ] [ 0.500039 0.25 0.090944 ] [ 0.499961 0.75 0.590944 ] [ 0.752058 0.439738 0.75 ] [ 0.224056 0.433803 0.75 ] [ 0.013926 0.75 0.000129 ] [ 0.752058 0.060262 0.75 ] [ 0.986074 0.25 0.500129 ] [ 0.775944 0.566197 0.25 ] [ 0.986074 0.25 0.999871 ] [ 0.224056 0.066197 0.75 ] [ 0.013926 0.75 0.499871 ] [ 0.775944 0.933803 0.25 ] [ 0.247942 0.560262 0.25 ] [ 0.247942 0.939738 0.25 ] ] } "species" { "source-value" [ "Sb" "Sb" "Cl" "Cl" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.84145798 "source-unit" "angstrom" } "b" { "source-value" 7.21132792288 "source-unit" "angstrom" } "c" { "source-value" 7.65241270177 "source-unit" "angstrom" } }