{ "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 0.941021 0.804023 ] [ 0.75 0.058979 0.195977 ] [ 0.75 0.441021 0.695977 ] [ 0.25 0.558979 0.304023 ] [ 0.25 0.927279 0.577434 ] [ 0.75 0.072721 0.422566 ] [ 0.75 0.427279 0.922566 ] [ 0.25 0.572721 0.077434 ] [ 0.25 0.221555 0.491016 ] [ 0.75 0.778445 0.508984 ] [ 0.75 0.721555 0.008984 ] [ 0.25 0.278445 0.991016 ] [ 0.25 0.179289 0.262922 ] [ 0.75 0.820711 0.737078 ] [ 0.75 0.679289 0.237078 ] [ 0.25 0.320711 0.762922 ] [ 0.25 0.935848 0.359377 ] [ 0.75 0.064152 0.640623 ] [ 0.75 0.435848 0.140623 ] [ 0.25 0.564152 0.859377 ] [ 0.25 0.546414 0.623466 ] [ 0.75 0.453586 0.376534 ] [ 0.75 0.046414 0.876534 ] [ 0.25 0.953586 0.123466 ] ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.61255731 "source-unit" "angstrom" } "b" { "source-value" 5.68606406 "source-unit" "angstrom" } "c" { "source-value" 20.04169609 "source-unit" "angstrom" } }