{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.160184 0 0.662143 ] [ 0.660184 0 0.837857 ] [ 0.339816 0 0.162143 ] [ 0.839816 0 0.337857 ] [ 0.329426 0.832299 0.829738 ] [ 0.829426 0.167701 0.670262 ] [ 0.170574 0.167701 0.329738 ] [ 0.670574 0.832299 0.170262 ] [ 0.670574 0.167701 0.170262 ] [ 0.170574 0.832299 0.329738 ] [ 0.829426 0.832299 0.670262 ] [ 0.329426 0.167701 0.829738 ] [ 0.660184 0.5 0.662143 ] [ 0.160184 0.5 0.837857 ] [ 0.839816 0.5 0.162143 ] [ 0.339816 0.5 0.337857 ] [ 0.829426 0.332299 0.829738 ] [ 0.329426 0.667701 0.670262 ] [ 0.670574 0.667701 0.329738 ] [ 0.170574 0.332299 0.170262 ] [ 0.170574 0.667701 0.170262 ] [ 0.670574 0.332299 0.329738 ] [ 0.329426 0.332299 0.670262 ] [ 0.829426 0.667701 0.829738 ] [ 0 0.914836 0 ] [ 0.5 0.085164 0.5 ] [ 0 0.085164 0 ] [ 0.5 0.914836 0.5 ] [ 0.5 0.414836 0 ] [ 0 0.585164 0.5 ] [ 0.5 0.585164 0 ] [ 0 0.414836 0.5 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57207719034 "source-unit" "angstrom" } "b" { "source-value" 17.4794777916 "source-unit" "angstrom" } "c" { "source-value" 6.59959011 "source-unit" "angstrom" } }