{ "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" [ [ 0.2351 0.75 0.084196 ] [ 0.746871 0.99303 0.268053 ] [ 0.746871 0.50697 0.268053 ] [ 0.253129 0.49303 0.731947 ] [ 0.253129 0.00697 0.731947 ] [ 0.7649 0.25 0.915804 ] [ 0.218032 0.25 0.342904 ] [ 0.781968 0.75 0.657096 ] [ 0.26722 0.25 0.069157 ] [ 0.73278 0.75 0.930843 ] [ 0.282575 0.75 0.418921 ] [ 0.717425 0.25 0.581079 ] [ 0.706166 0.75 0.080605 ] [ 0.031274 0.25 0.139815 ] [ 0.472001 0.25 0.174331 ] [ 0.219238 0.934014 0.319851 ] [ 0.219238 0.565986 0.319851 ] [ 0.580576 0.75 0.460729 ] [ 0.868312 0.25 0.43355 ] [ 0.131688 0.75 0.56645 ] [ 0.419424 0.25 0.539271 ] [ 0.780762 0.434014 0.680149 ] [ 0.780762 0.065986 0.680149 ] [ 0.527999 0.75 0.825669 ] [ 0.968726 0.75 0.860185 ] [ 0.293834 0.25 0.919395 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "B" "B" "P" "P" "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" 5.16161169 "source-unit" "angstrom" } "b" { "source-value" 6.75227749 "source-unit" "angstrom" } "c" { "source-value" 8.88775237 "source-unit" "angstrom" } "beta" { "source-value" 91.65375283 "source-unit" "degree" } }