{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.506168 0 ] [ 0.5 0.006168 0 ] [ 0.762967 0.514747 0.126944 ] [ 0.764561 0.499145 0.632236 ] [ 0 0.502672 0.5 ] [ 0.237033 0.514747 0.873056 ] [ 0.235439 0.499145 0.367764 ] [ 0.262967 0.014747 0.126944 ] [ 0.264561 0.999145 0.632236 ] [ 0.5 0.002672 0.5 ] [ 0.737033 0.014747 0.873056 ] [ 0.735439 0.999145 0.367764 ] [ 0.144755 0.010182 0.936233 ] [ 0.838328 0.485382 0.816186 ] [ 0.128755 0.00635 0.449411 ] [ 0.84776 0.507831 0.329973 ] [ 0.161672 0.485382 0.183814 ] [ 0.15224 0.507831 0.670027 ] [ 0.855245 0.010182 0.063767 ] [ 0.871245 0.00635 0.550589 ] [ 0.644755 0.510182 0.936233 ] [ 0.338328 0.985382 0.816186 ] [ 0.628755 0.50635 0.449411 ] [ 0.34776 0.007831 0.329973 ] [ 0.661672 0.985382 0.183814 ] [ 0.65224 0.007831 0.670027 ] [ 0.355245 0.510182 0.063767 ] [ 0.371245 0.50635 0.550589 ] ] } "species" { "source-value" [ "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "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" 10.62165132 "source-unit" "angstrom" } "b" { "source-value" 3.00320092 "source-unit" "angstrom" } "c" { "source-value" 10.63911984 "source-unit" "angstrom" } "beta" { "source-value" 102.96088845 "source-unit" "degree" } }