{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.684293 0.094916 0.300527 ] [ 0.684293 0.905084 0.800527 ] [ 0.315707 0.094916 0.199473 ] [ 0.315707 0.905084 0.699473 ] [ 0.184293 0.594916 0.300527 ] [ 0.184293 0.405084 0.800527 ] [ 0.815707 0.594916 0.199473 ] [ 0.815707 0.405084 0.699473 ] [ 0 0.912478 0.25 ] [ 0 0.264911 0.25 ] [ 0 0.735089 0.75 ] [ 0 0.087522 0.75 ] [ 0.5 0.412478 0.25 ] [ 0.5 0.764911 0.25 ] [ 0.5 0.235089 0.75 ] [ 0.5 0.587522 0.75 ] [ 0.891788 0.082214 0.379515 ] [ 0.891788 0.917786 0.879515 ] [ 0.101964 0.760135 0.091563 ] [ 0.631039 0.098989 0.643774 ] [ 0.101964 0.239865 0.591563 ] [ 0.631039 0.901011 0.143774 ] [ 0.368961 0.098989 0.856226 ] [ 0.898036 0.760135 0.408437 ] [ 0.368961 0.901011 0.356226 ] [ 0.898036 0.239865 0.908437 ] [ 0.108212 0.082214 0.120485 ] [ 0.108212 0.917786 0.620485 ] [ 0.391788 0.582214 0.379515 ] [ 0.391788 0.417786 0.879515 ] [ 0.601964 0.260135 0.091563 ] [ 0.131039 0.598989 0.643774 ] [ 0.601964 0.739865 0.591563 ] [ 0.131039 0.401011 0.143774 ] [ 0.868961 0.598989 0.856226 ] [ 0.398036 0.260135 0.408437 ] [ 0.868961 0.401011 0.356226 ] [ 0.398036 0.739865 0.908437 ] [ 0.608212 0.582214 0.120485 ] [ 0.608212 0.417786 0.620485 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.67333732 "source-unit" "angstrom" } "b" { "source-value" 8.93483126 "source-unit" "angstrom" } "c" { "source-value" 5.31160108 "source-unit" "angstrom" } "beta" { "source-value" 97.68921079 "source-unit" "degree" } }