{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.31782 0.240679 0.334473 ] [ 0.682276 0.242052 0.676934 ] [ 0.682276 0.757948 0.176934 ] [ 0.31782 0.759321 0.834473 ] [ 0.999505 0.250762 0.998695 ] [ 0.999505 0.749238 0.498695 ] [ 0.029284 0.947849 0.331325 ] [ 0.029284 0.052151 0.831325 ] [ 0.303203 0.44783 0.495845 ] [ 0.63327 0.445736 0.829074 ] [ 0.973709 0.449876 0.168005 ] [ 0.63327 0.554264 0.329074 ] [ 0.973709 0.550124 0.668005 ] [ 0.303203 0.55217 0.995845 ] [ 0.69407 0.939716 0.998717 ] [ 0.366861 0.943716 0.666931 ] [ 0.366861 0.056284 0.166931 ] [ 0.69407 0.060284 0.498717 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Cr" "Cr" "N" "N" "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" 4.77294987 "source-unit" "angstrom" } "b" { "source-value" 4.77642088 "source-unit" "angstrom" } "c" { "source-value" 10.36989241 "source-unit" "angstrom" } "beta" { "source-value" 117.179102 "source-unit" "degree" } }