{ "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" [ [ 0.25 0.698638 0.076525 ] [ 0.25 0.080517 0.079199 ] [ 0.75 0.854392 0.223193 ] [ 0.25 0.354392 0.276807 ] [ 0.75 0.580517 0.420801 ] [ 0.75 0.198638 0.423475 ] [ 0.25 0.801362 0.576525 ] [ 0.25 0.419483 0.579199 ] [ 0.75 0.645608 0.723193 ] [ 0.25 0.145608 0.776807 ] [ 0.75 0.919483 0.920801 ] [ 0.75 0.301362 0.923475 ] [ 0.005057 0.889167 0.079729 ] [ 0.494943 0.889167 0.079729 ] [ 0.505057 0.389167 0.420271 ] [ 0.994943 0.389167 0.420271 ] [ 0.005057 0.610833 0.579729 ] [ 0.494943 0.610833 0.579729 ] [ 0.505057 0.110833 0.920271 ] [ 0.994943 0.110833 0.920271 ] [ 0.75 0.647395 0.149235 ] [ 0.75 0.20433 0.240805 ] [ 0.25 0.70433 0.259195 ] [ 0.25 0.147395 0.350765 ] [ 0.75 0.852605 0.649235 ] [ 0.75 0.29567 0.740805 ] [ 0.25 0.79567 0.759195 ] [ 0.25 0.352605 0.850765 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.53556071 "source-unit" "angstrom" } "b" { "source-value" 9.35303732 "source-unit" "angstrom" } "c" { "source-value" 11.5059917 "source-unit" "angstrom" } }