{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.882217 0.792527 ] [ 0.25 0.382217 0.707473 ] [ 0.75 0.617783 0.292527 ] [ 0.25 0.117783 0.207473 ] [ 0.25 0.762875 0.516907 ] [ 0.75 0.237125 0.483093 ] [ 0.25 0.737125 0.016907 ] [ 0.75 0.262875 0.983093 ] [ 0.25 0.517073 0.109493 ] [ 0.25 0.982927 0.609493 ] [ 0.75 0.017073 0.390507 ] [ 0.75 0.482927 0.890507 ] [ 0.75 0.215206 0.640859 ] [ 0.75 0.284794 0.140859 ] [ 0.465617 0.826387 0.062262 ] [ 0.25 0.715206 0.859141 ] [ 0.965617 0.326387 0.437738 ] [ 0.25 0.784794 0.359141 ] [ 0.534383 0.173613 0.937738 ] [ 0.034383 0.673613 0.562262 ] [ 0.465617 0.673613 0.562262 ] [ 0.965617 0.173613 0.937738 ] [ 0.534383 0.326387 0.437738 ] [ 0.034383 0.826387 0.062262 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cr" "Cr" "Cr" "Cr" "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" 6.19746729 "source-unit" "angstrom" } "b" { "source-value" 9.01225595 "source-unit" "angstrom" } "c" { "source-value" 10.22199873 "source-unit" "angstrom" } }