{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.518482 0.673459 ] [ 0.75 0.481518 0.326541 ] [ 0.25 0.018482 0.826541 ] [ 0.75 0.981518 0.173459 ] [ 0.75 0.849979 0.574413 ] [ 0.75 0.349979 0.925587 ] [ 0.25 0.650021 0.074413 ] [ 0.25 0.150021 0.425587 ] [ 0.25 0.778548 0.390785 ] [ 0.75 0.721452 0.890785 ] [ 0.75 0.221452 0.609215 ] [ 0.25 0.278548 0.109215 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51886698 "source-unit" "angstrom" } "b" { "source-value" 7.64948088 "source-unit" "angstrom" } "c" { "source-value" 8.17901233 "source-unit" "angstrom" } }