{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.360791 ] [ 0 0.25 0.139209 ] [ 0.5 0.25 0.860791 ] [ 0.5 0.75 0.639209 ] [ 0.857213 0.5 0.25 ] [ 0.142787 0 0.25 ] [ 0.357213 0 0.75 ] [ 0.642787 0.5 0.75 ] [ 0.25 0.62503 0.5 ] [ 0.75 0.87497 0.5 ] [ 0.75 0.12503 0 ] [ 0.25 0.37497 0 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "N" "N" "N" "N" "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" 4.50336579 "source-unit" "angstrom" } "b" { "source-value" 4.81572832 "source-unit" "angstrom" } "c" { "source-value" 7.07043956 "source-unit" "angstrom" } }