{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.289277 0.015771 0.860996 ] [ 0.789277 0.484229 0.639004 ] [ 0.710723 0.515771 0.139004 ] [ 0.210723 0.984229 0.360996 ] [ 0.710723 0.984229 0.139004 ] [ 0.210723 0.515771 0.360996 ] [ 0.289277 0.484229 0.860996 ] [ 0.789277 0.015771 0.639004 ] [ 0.266323 0.25 0.59776 ] [ 0.766323 0.25 0.90224 ] [ 0.733677 0.75 0.40224 ] [ 0.233677 0.75 0.09776 ] [ 0.450037 0.25 0.41189 ] [ 0.950037 0.25 0.08811 ] [ 0.549963 0.75 0.58811 ] [ 0.049963 0.75 0.91189 ] [ 0.49472 0.25 0.216668 ] [ 0.99472 0.25 0.283332 ] [ 0.50528 0.75 0.783332 ] [ 0.00528 0.75 0.716668 ] [ 0.48663 0.25 0.995505 ] [ 0.98663 0.25 0.504495 ] [ 0.51337 0.75 0.004495 ] [ 0.01337 0.75 0.495505 ] [ 0.021496 0.25 0.793951 ] [ 0.521496 0.25 0.706049 ] [ 0.978504 0.75 0.206049 ] [ 0.478504 0.75 0.293951 ] [ 0.264336 0.038941 0.605358 ] [ 0.764336 0.461059 0.894642 ] [ 0.735664 0.538941 0.394642 ] [ 0.235664 0.961059 0.105358 ] [ 0.735664 0.961059 0.394642 ] [ 0.235664 0.538941 0.105358 ] [ 0.264336 0.461059 0.605358 ] [ 0.764336 0.038941 0.894642 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Pd" "Pd" "Pd" "Pd" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.32968156 "source-unit" "angstrom" } "b" { "source-value" 12.65806368 "source-unit" "angstrom" } "c" { "source-value" 14.68168255 "source-unit" "angstrom" } }