{ "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" [ [ 0.238673 0.75 0.080252 ] [ 0.752252 0.996742 0.257305 ] [ 0.752252 0.503258 0.257305 ] [ 0.247748 0.496742 0.742695 ] [ 0.247748 0.003258 0.742695 ] [ 0.761327 0.25 0.919748 ] [ 0.21249 0.25 0.343891 ] [ 0.78751 0.75 0.656109 ] [ 0.296972 0.75 0.417749 ] [ 0.703028 0.25 0.582251 ] [ 0.269426 0.25 0.062095 ] [ 0.730574 0.75 0.937905 ] [ 0.713784 0.75 0.07947 ] [ 0.046351 0.25 0.123881 ] [ 0.473357 0.25 0.146482 ] [ 0.214283 0.946897 0.30706 ] [ 0.214283 0.553103 0.30706 ] [ 0.626137 0.75 0.446283 ] [ 0.842999 0.25 0.414158 ] [ 0.157001 0.75 0.585842 ] [ 0.373863 0.25 0.553717 ] [ 0.785717 0.446897 0.69294 ] [ 0.785717 0.053103 0.69294 ] [ 0.526643 0.75 0.853518 ] [ 0.953649 0.75 0.876119 ] [ 0.286216 0.25 0.92053 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "As" "As" "C" "C" "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" 5.21784997 "source-unit" "angstrom" } "b" { "source-value" 6.80946336 "source-unit" "angstrom" } "c" { "source-value" 9.09044293 "source-unit" "angstrom" } "beta" { "source-value" 91.1461487 "source-unit" "degree" } }