{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.587777 0.25 0.627951 ] [ 0.087777 0.75 0.872049 ] [ 0.412223 0.75 0.372049 ] [ 0.912223 0.25 0.127951 ] [ 0.26371 0.89511 0.478642 ] [ 0.76371 0.10489 0.021358 ] [ 0.73629 0.39511 0.521358 ] [ 0.23629 0.60489 0.978642 ] [ 0.62712 0.25 0.238639 ] [ 0.12712 0.75 0.261361 ] [ 0.37288 0.75 0.761361 ] [ 0.87288 0.25 0.738639 ] [ 0.059618 0.395469 0.234336 ] [ 0.559618 0.604531 0.265664 ] [ 0.940382 0.895469 0.765664 ] [ 0.440382 0.104531 0.734336 ] [ 0.940382 0.604531 0.765664 ] [ 0.440382 0.395469 0.734336 ] [ 0.059618 0.104531 0.234336 ] [ 0.559618 0.895469 0.265664 ] [ 0.196898 0.25 0.017352 ] [ 0.696898 0.75 0.482648 ] [ 0.803102 0.75 0.982648 ] [ 0.303102 0.25 0.517352 ] [ 0.76371 0.39511 0.021358 ] [ 0.26371 0.60489 0.478642 ] [ 0.23629 0.89511 0.978642 ] [ 0.73629 0.10489 0.521358 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.28644719 "source-unit" "angstrom" } "b" { "source-value" 9.08492831 "source-unit" "angstrom" } "c" { "source-value" 10.00207038 "source-unit" "angstrom" } }