{ "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" [ [ 0.75 0.76631 0.660599 ] [ 0.25 0.23369 0.339401 ] [ 0.75 0.26631 0.839401 ] [ 0.25 0.73369 0.160599 ] [ 0.25 0.592429 0.901802 ] [ 0.75 0.407571 0.098198 ] [ 0.25 0.092429 0.598198 ] [ 0.75 0.907571 0.401802 ] [ 0.75 0.947634 0.883316 ] [ 0.25 0.052366 0.116684 ] [ 0.75 0.447634 0.616684 ] [ 0.25 0.552366 0.383316 ] [ 0.25 0.588093 0.572623 ] [ 0.75 0.411907 0.427377 ] [ 0.25 0.088093 0.927377 ] [ 0.75 0.911907 0.072623 ] [ 0.25 0.952916 0.287481 ] [ 0.75 0.047084 0.712519 ] [ 0.25 0.452916 0.212519 ] [ 0.75 0.547084 0.787481 ] [ 0.25 0.882405 0.528002 ] [ 0.75 0.117595 0.471998 ] [ 0.25 0.382405 0.971998 ] [ 0.75 0.617595 0.028002 ] [ 0.75 0.691814 0.331606 ] [ 0.25 0.308186 0.668394 ] [ 0.75 0.191814 0.168394 ] [ 0.25 0.808186 0.831606 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "O" "O" "O" "O" "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" 3.1630341 "source-unit" "angstrom" } "b" { "source-value" 9.14083635 "source-unit" "angstrom" } "c" { "source-value" 10.90902857 "source-unit" "angstrom" } }