{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.887631 ] [ 0.75 0 0.112369 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.75 0.5 0.387631 ] [ 0.25 0.5 0.612369 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.484382 0 0.253729 ] [ 0.75 0.268372 0.986268 ] [ 0.015618 0 0.253729 ] [ 0.75 0.731628 0.986268 ] [ 0.25 0.268372 0.013732 ] [ 0.25 0.731628 0.013732 ] [ 0.984382 0 0.746271 ] [ 0.515618 0 0.746271 ] [ 0.984382 0.5 0.753729 ] [ 0.25 0.768372 0.486268 ] [ 0.515618 0.5 0.753729 ] [ 0.25 0.231628 0.486268 ] [ 0.75 0.768372 0.513732 ] [ 0.75 0.231628 0.513732 ] [ 0.484382 0.5 0.246271 ] [ 0.015618 0.5 0.246271 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Sn" "Sn" "Sn" "Sn" "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" 6.12300872822 "source-unit" "angstrom" } "b" { "source-value" 6.30008332557 "source-unit" "angstrom" } "c" { "source-value" 8.69475548831 "source-unit" "angstrom" } }