{ "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 0.5 0.5 ] [ 0 0 0 ] [ 0.588037 0.484719 0.304561 ] [ 0.411963 0.984719 0.195439 ] [ 0.411963 0.515281 0.695439 ] [ 0.588037 0.015281 0.804561 ] [ 0.822614 0.566507 0.171794 ] [ 0.177386 0.066507 0.328206 ] [ 0.177386 0.433493 0.828206 ] [ 0.822614 0.933493 0.671794 ] [ 0.799493 0.342755 0.208217 ] [ 0.200507 0.842755 0.291783 ] [ 0.200507 0.657245 0.791783 ] [ 0.799493 0.157245 0.708217 ] [ 0.779509 0.467926 0.271511 ] [ 0.220491 0.967926 0.228489 ] [ 0.220491 0.532074 0.728489 ] [ 0.779509 0.032074 0.771511 ] [ 0.891099 0.717637 0.514337 ] [ 0.108901 0.217637 0.985663 ] [ 0.108901 0.282363 0.485663 ] [ 0.891099 0.782363 0.014337 ] [ 0.244807 0.572835 0.358511 ] [ 0.755193 0.072835 0.141489 ] [ 0.755193 0.427165 0.641489 ] [ 0.244807 0.927165 0.858511 ] ] } "species" { "source-value" [ "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16081748947 "source-unit" "angstrom" } "b" { "source-value" 7.35965061 "source-unit" "angstrom" } "c" { "source-value" 6.89962187182 "source-unit" "angstrom" } "beta" { "source-value" 92.4941607861 "source-unit" "degree" } }