{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.277088 0.75 0.17032 ] [ 0.722912 0.25 0.82968 ] [ 0.662238 0.75 0.664018 ] [ 0.337762 0.25 0.335982 ] [ 0.991208 0.75 0.686149 ] [ 0.008792 0.25 0.313851 ] [ 0.73384 0.75 0.282864 ] [ 0.26616 0.25 0.717136 ] [ 0.650028 0.75 0.043717 ] [ 0.349972 0.25 0.956283 ] [ 0.679483 0.938317 0.805691 ] [ 0.320517 0.438317 0.194309 ] [ 0.320517 0.061683 0.194309 ] [ 0.679483 0.561683 0.805691 ] [ 0.463481 0.75 0.484479 ] [ 0.536519 0.25 0.515521 ] [ 0.849353 0.75 0.579253 ] [ 0.150647 0.25 0.420747 ] [ 0.196431 0.75 0.907741 ] [ 0.803569 0.25 0.092259 ] [ 0.607771 0.75 0.163541 ] [ 0.392229 0.25 0.836459 ] [ 0.048843 0.75 0.222289 ] [ 0.951157 0.25 0.777711 ] ] } "species" { "source-value" [ "Mo" "Mo" "P" "P" "H" "H" "H" "H" "H" "H" "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" 6.8297673 "source-unit" "angstrom" } "b" { "source-value" 6.42866703 "source-unit" "angstrom" } "c" { "source-value" 7.04534005 "source-unit" "angstrom" } "beta" { "source-value" 109.84963012 "source-unit" "degree" } }