{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.343434 ] [ 0.5 0.75 0.656566 ] [ 0.5 0.75 0.995828 ] [ 0 0.25 0.507023 ] [ 0.5 0.25 0.004172 ] [ 0 0.75 0.492977 ] [ 0.745186 0.75 0.404805 ] [ 0 0.25 0.00331 ] [ 0.758934 0.75 0.911129 ] [ 0.758846 0.75 0.747559 ] [ 0 0.75 0.99669 ] [ 0.241154 0.25 0.252441 ] [ 0 0.25 0.333562 ] [ 0 0.25 0.836744 ] [ 0.241066 0.75 0.911129 ] [ 0.745186 0.25 0.595195 ] [ 0.254814 0.25 0.595195 ] [ 0.254814 0.75 0.404805 ] [ 0.5 0.75 0.163802 ] [ 0.241066 0.25 0.088871 ] [ 0 0.75 0.666438 ] [ 0.241154 0.75 0.747559 ] [ 0.5 0.25 0.836198 ] [ 0.758846 0.25 0.252441 ] [ 0 0.75 0.163256 ] [ 0.758934 0.25 0.088871 ] [ 0.748455 0.75 0.246136 ] [ 0.5 0.75 0.481489 ] [ 0.5 0.25 0.518511 ] [ 0.251545 0.25 0.753864 ] [ 0.251545 0.75 0.246136 ] [ 0.748455 0.25 0.753864 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01278214 "source-unit" "angstrom" } "b" { "source-value" 7.11313899 "source-unit" "angstrom" } "c" { "source-value" 8.66358498 "source-unit" "angstrom" } }