{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.363765 0.136235 0.162269 ] [ 0.363765 0.863765 0.662269 ] [ 0.136235 0.636235 0.162269 ] [ 0.636235 0.863765 0.162269 ] [ 0.863765 0.636235 0.337731 ] [ 0.636235 0.136235 0.337731 ] [ 0.136235 0.363765 0.337731 ] [ 0.863765 0.363765 0.837731 ] [ 0.863765 0.636235 0.662269 ] [ 0.863765 0.363765 0.162269 ] [ 0.636235 0.136235 0.662269 ] [ 0.136235 0.363765 0.662269 ] [ 0.363765 0.136235 0.837731 ] [ 0.136235 0.636235 0.837731 ] [ 0.636235 0.863765 0.837731 ] [ 0.363765 0.863765 0.337731 ] [ 0.840245 0.659755 0 ] [ 0.659755 0.159755 0 ] [ 0.340245 0.840245 0 ] [ 0.659755 0.840245 0.5 ] [ 0.340245 0.159755 0.5 ] [ 0.159755 0.659755 0.5 ] [ 0.840245 0.340245 0.5 ] [ 0.159755 0.340245 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.88610715792 "source-unit" "angstrom" } "c" { "source-value" 7.80467313205 "source-unit" "angstrom" } }