{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.303623 0 0.5 ] [ 0.696377 0.5 0 ] [ 0.167882 0 0.834903 ] [ 0.167882 0 0.165097 ] [ 0.832118 0.5 0.334903 ] [ 0.832118 0.5 0.665097 ] [ 0.439405 0 0 ] [ 0.876334 0 0.32657 ] [ 0.876334 0 0.67343 ] [ 0.560595 0.5 0.5 ] [ 0.123666 0.5 0.82657 ] [ 0.123666 0.5 0.17343 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.6802217 "source-unit" "angstrom" } "b" { "source-value" 4.00179257 "source-unit" "angstrom" } "c" { "source-value" 9.88852534 "source-unit" "angstrom" } }