{ "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" [ [ 0.594128 0.25 0.126937 ] [ 0.905872 0.25 0.626937 ] [ 0.405872 0.75 0.873063 ] [ 0.094128 0.75 0.373063 ] [ 0.24967 0.600223 0.481744 ] [ 0.25033 0.899777 0.981744 ] [ 0.938992 0.899568 0.264166 ] [ 0.197546 0.25 0.511101 ] [ 0.74967 0.100223 0.018256 ] [ 0.561008 0.899568 0.764166 ] [ 0.302454 0.25 0.011101 ] [ 0.24967 0.899777 0.481744 ] [ 0.75033 0.399777 0.518256 ] [ 0.438992 0.399568 0.235834 ] [ 0.74967 0.399777 0.018256 ] [ 0.802454 0.75 0.488899 ] [ 0.697546 0.75 0.988899 ] [ 0.25033 0.600223 0.981744 ] [ 0.438992 0.100432 0.235834 ] [ 0.061008 0.399568 0.735834 ] [ 0.61339 0.25 0.742312 ] [ 0.561008 0.600432 0.764166 ] [ 0.88661 0.25 0.242312 ] [ 0.11339 0.75 0.757688 ] [ 0.061008 0.100432 0.735834 ] [ 0.938992 0.600432 0.264166 ] [ 0.38661 0.75 0.257688 ] [ 0.75033 0.100223 0.518256 ] ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" "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" 5.13438813 "source-unit" "angstrom" } "b" { "source-value" 8.85650436 "source-unit" "angstrom" } "c" { "source-value" 9.74950261 "source-unit" "angstrom" } }