{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.503799 0.494271 0.966341 ] [ 0.996201 0.505729 0.466341 ] [ 0.496201 0.994271 0.533659 ] [ 0.003799 0.005729 0.033659 ] [ 0.708007 0.976616 0.273425 ] [ 0.291993 0.476616 0.226575 ] [ 0.791993 0.023384 0.773425 ] [ 0.208007 0.523384 0.726575 ] [ 0.287061 0.984944 0.835651 ] [ 0.787061 0.515056 0.164349 ] [ 0.212939 0.015056 0.335651 ] [ 0.712939 0.484944 0.664349 ] [ 0.552892 0.989295 0.908543 ] [ 0.066842 0.749079 0.857885 ] [ 0.382096 0.934545 0.720262 ] [ 0.117904 0.065455 0.220262 ] [ 0.052892 0.510705 0.091457 ] [ 0.947108 0.010705 0.408543 ] [ 0.395278 0.74696 0.349893 ] [ 0.617904 0.434545 0.779738 ] [ 0.604722 0.24696 0.150107 ] [ 0.104722 0.25304 0.849893 ] [ 0.895278 0.75304 0.650107 ] [ 0.447108 0.489295 0.591457 ] [ 0.933158 0.249079 0.642115 ] [ 0.566842 0.750921 0.142115 ] [ 0.433158 0.250921 0.357885 ] [ 0.882096 0.565455 0.279738 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.81228674 "source-unit" "angstrom" } "b" { "source-value" 7.16444565 "source-unit" "angstrom" } "c" { "source-value" 18.79630024 "source-unit" "angstrom" } }