{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.883533 0.587905 ] [ 0.25 0.616467 0.087905 ] [ 0.75 0.383533 0.912095 ] [ 0.75 0.116467 0.412095 ] [ 0.75 0.940149 0.829137 ] [ 0.25 0.059851 0.170863 ] [ 0.25 0.440149 0.670863 ] [ 0.75 0.559851 0.329137 ] [ 0.75 0.328144 0.166286 ] [ 0.25 0.671856 0.833714 ] [ 0.25 0.828144 0.333714 ] [ 0.75 0.171856 0.666286 ] [ 0.75 0.301254 0.71445 ] [ 0.25 0.698746 0.28555 ] [ 0.25 0.801254 0.78555 ] [ 0.75 0.461868 0.122595 ] [ 0.75 0.038132 0.622595 ] [ 0.25 0.961868 0.377405 ] [ 0.25 0.538132 0.877405 ] [ 0.75 0.198746 0.21445 ] [ 0.75 0.855047 0.061697 ] [ 0.25 0.355047 0.438303 ] [ 0.25 0.144953 0.938303 ] [ 0.75 0.644953 0.561697 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.20337348 "source-unit" "angstrom" } "b" { "source-value" 9.28096475 "source-unit" "angstrom" } "c" { "source-value" 12.53953109 "source-unit" "angstrom" } }