{ "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" [ [ 0.202595 0.524668 0.450396 ] [ 0.202595 0.975332 0.950396 ] [ 0.797405 0.475332 0.549604 ] [ 0.797405 0.024668 0.049604 ] [ 0.952635 0.655217 0.068128 ] [ 0.952635 0.844783 0.568128 ] [ 0.047365 0.344783 0.931872 ] [ 0.047365 0.155217 0.431872 ] [ 0.595284 0.712362 0.220275 ] [ 0.595284 0.787638 0.720275 ] [ 0.404716 0.287638 0.779725 ] [ 0.404716 0.212362 0.279725 ] [ 0.310308 0.643524 0.864788 ] [ 0.310308 0.856476 0.364788 ] [ 0.689692 0.356476 0.135212 ] [ 0.689692 0.143524 0.635212 ] [ 0.041843 0.673455 0.861269 ] [ 0.041843 0.826545 0.361269 ] [ 0.958157 0.326545 0.138731 ] [ 0.958157 0.173455 0.638731 ] [ 0.490329 0.700678 0.42272 ] [ 0.490329 0.799322 0.92272 ] [ 0.509671 0.299322 0.57728 ] [ 0.509671 0.200678 0.07728 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.24066 0.596123 0.690751 ] [ 0.24066 0.903877 0.190751 ] [ 0.75934 0.403877 0.309249 ] [ 0.75934 0.096123 0.809249 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "W" "W" "W" "W" "N" "N" "N" "N" "N" "N" "N" "N" "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" 6.83974108 "source-unit" "angstrom" } "b" { "source-value" 9.66904215 "source-unit" "angstrom" } "c" { "source-value" 11.75756375 "source-unit" "angstrom" } "beta" { "source-value" 123.23132283 "source-unit" "degree" } }