{ "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 0.491153 0.806607 ] [ 0.25 0.991153 0.693393 ] [ 0.75 0.836443 0.911678 ] [ 0.25 0.663557 0.411678 ] [ 0.75 0.508847 0.193393 ] [ 0.75 0.008847 0.306607 ] [ 0.25 0.163557 0.088322 ] [ 0.75 0.336443 0.588322 ] [ 0.75 0.962198 0.587818 ] [ 0.25 0.537802 0.087818 ] [ 0.25 0.037802 0.412182 ] [ 0.75 0.462198 0.912182 ] [ 0.25 0.723636 0.082441 ] [ 0.25 0.223636 0.417559 ] [ 0.75 0.776364 0.582441 ] [ 0.75 0.276364 0.917559 ] [ 0.75 0.195213 0.054562 ] [ 0.041909 0.311073 0.352938 ] [ 0.458091 0.811073 0.147062 ] [ 0.25 0.804787 0.945438 ] [ 0.958091 0.688927 0.647062 ] [ 0.25 0.304787 0.554562 ] [ 0.958091 0.188927 0.852938 ] [ 0.541909 0.688927 0.647062 ] [ 0.75 0.695213 0.445438 ] [ 0.041909 0.811073 0.147062 ] [ 0.541909 0.188927 0.852938 ] [ 0.458091 0.311073 0.352938 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.81044939 "source-unit" "angstrom" } "b" { "source-value" 7.7270417 "source-unit" "angstrom" } "c" { "source-value" 10.32134708 "source-unit" "angstrom" } }