{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.833146 0.281274 0.81998 ] [ 0.166854 0.781274 0.68002 ] [ 0.166854 0.718726 0.18002 ] [ 0.833146 0.218726 0.31998 ] [ 0.336482 0.125349 0.587342 ] [ 0.663518 0.625349 0.912658 ] [ 0.663518 0.874651 0.412658 ] [ 0.336482 0.374651 0.087342 ] [ 0.757857 0.94109 0.905119 ] [ 0.242143 0.44109 0.594881 ] [ 0.242143 0.05891 0.094881 ] [ 0.757857 0.55891 0.405119 ] [ 0.88158 0.091299 0.97915 ] [ 0.11842 0.591299 0.52085 ] [ 0.11842 0.908701 0.02085 ] [ 0.88158 0.408701 0.47915 ] [ 0.438121 0.021086 0.779737 ] [ 0.561879 0.521086 0.720263 ] [ 0.561879 0.978914 0.220263 ] [ 0.438121 0.478914 0.279737 ] [ 0.148099 0.215209 0.659857 ] [ 0.851901 0.715209 0.840143 ] [ 0.851901 0.784791 0.340143 ] [ 0.148099 0.284791 0.159857 ] [ 0.17331 0.443769 0.857781 ] [ 0.82669 0.943769 0.642219 ] [ 0.82669 0.556231 0.142219 ] [ 0.17331 0.056231 0.357781 ] [ 0.558333 0.300118 0.040921 ] [ 0.441667 0.800118 0.459079 ] [ 0.441667 0.699882 0.959079 ] [ 0.558333 0.199882 0.540921 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "V" "V" "Te" "Te" "Te" "Te" "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" 5.93747143752 "source-unit" "angstrom" } "b" { "source-value" 11.75827376 "source-unit" "angstrom" } "c" { "source-value" 6.91382192939 "source-unit" "angstrom" } "beta" { "source-value" 103.219335585 "source-unit" "degree" } }