{ "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" [ [ 0.25 0.486919 0.567613 ] [ 0.75 0.013081 0.067613 ] [ 0.25 0.986919 0.932387 ] [ 0.75 0.513081 0.432387 ] [ 0.75 0.657409 0.937672 ] [ 0.25 0.491013 0.27921 ] [ 0.25 0.842591 0.437672 ] [ 0.75 0.157409 0.562328 ] [ 0.25 0.342591 0.062328 ] [ 0.75 0.508987 0.72079 ] [ 0.75 0.008987 0.77921 ] [ 0.25 0.991013 0.22079 ] [ 0.25 0.840574 0.653088 ] [ 0.75 0.659426 0.153088 ] [ 0.25 0.340574 0.846912 ] [ 0.75 0.159426 0.346912 ] [ 0.25 0.724633 0.814601 ] [ 0.25 0.773558 0.062846 ] [ 0.75 0.226442 0.937154 ] [ 0.75 0.775367 0.314601 ] [ 0.75 0.275367 0.185399 ] [ 0.75 0.726442 0.562846 ] [ 0.25 0.273558 0.437154 ] [ 0.25 0.224633 0.685399 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.45844902 "source-unit" "angstrom" } "b" { "source-value" 7.27825692 "source-unit" "angstrom" } "c" { "source-value" 16.96051207 "source-unit" "angstrom" } }