{ "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" [ [ 0.75 0.992129 0.117251 ] [ 0.25 0.507871 0.617251 ] [ 0.75 0.250619 0.742404 ] [ 0.25 0.007871 0.882749 ] [ 0.5 0 0.5 ] [ 0.75 0.750619 0.757596 ] [ 0.25 0.749381 0.257596 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.492129 0.382749 ] [ 0.25 0.249381 0.242404 ] [ 0 0 0.5 ] [ 0.75 0.226168 0.508327 ] [ 0.75 0.726168 0.991673 ] [ 0.25 0.273832 0.008327 ] [ 0.25 0.773832 0.491673 ] [ 0.513175 0.998352 0.746548 ] [ 0.75 0.759015 0.512633 ] [ 0.25 0.740985 0.012633 ] [ 0.513175 0.498352 0.753452 ] [ 0.486825 0.501648 0.246548 ] [ 0.013175 0.501648 0.246548 ] [ 0.75 0.259015 0.987367 ] [ 0.25 0.240985 0.487367 ] [ 0.013175 0.001648 0.253452 ] [ 0.486825 0.001648 0.253452 ] [ 0.986825 0.998352 0.746548 ] [ 0.986825 0.498352 0.753452 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "N" "N" "N" "N" "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" 5.6617626 "source-unit" "angstrom" } "b" { "source-value" 5.71009591 "source-unit" "angstrom" } "c" { "source-value" 8.06830347 "source-unit" "angstrom" } }