{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.854194 0.25 ] [ 0 0.145806 0.75 ] [ 0.5 0.354194 0.25 ] [ 0.5 0.645806 0.75 ] [ 0.5 0.065082 0.25 ] [ 0.5 0.934918 0.75 ] [ 0 0.565082 0.25 ] [ 0 0.434918 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.31771005351 "source-unit" "angstrom" } "b" { "source-value" 11.4344641939 "source-unit" "angstrom" } "c" { "source-value" 4.33910522 "source-unit" "angstrom" } }