{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.663653 0 0.25 ] [ 0.336347 0 0.75 ] [ 0.163653 0.5 0.25 ] [ 0.836347 0.5 0.75 ] [ 0.168131 0 0.25 ] [ 0.831869 0 0.75 ] [ 0.668131 0.5 0.25 ] [ 0.331869 0.5 0.75 ] [ 0.961871 0.164791 0.75 ] [ 0.038129 0.835209 0.25 ] [ 0.961871 0.835209 0.75 ] [ 0.038129 0.164791 0.25 ] [ 0.298994 0 0.085988 ] [ 0.701006 0 0.585988 ] [ 0.298994 0 0.414012 ] [ 0.701006 0 0.914012 ] [ 0.461871 0.664791 0.75 ] [ 0.538129 0.335209 0.25 ] [ 0.461871 0.335209 0.75 ] [ 0.538129 0.664791 0.25 ] [ 0.798994 0.5 0.085988 ] [ 0.201006 0.5 0.585988 ] [ 0.798994 0.5 0.414012 ] [ 0.201006 0.5 0.914012 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.58905049564 "source-unit" "angstrom" } "b" { "source-value" 7.18454784569 "source-unit" "angstrom" } "c" { "source-value" 7.17920379 "source-unit" "angstrom" } }