{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.749211 0.788648 0.751884 ] [ 0.246391 0.737104 0.743041 ] [ 0.247667 0.265445 0.744016 ] [ 0.749211 0.211352 0.251884 ] [ 0.247667 0.734555 0.244016 ] [ 0.246391 0.262896 0.243041 ] [ 0.653508 0.4956 0.93171 ] [ 0.352656 0.999916 0.567741 ] [ 0.653508 0.5044 0.43171 ] [ 0.352656 0.000084 0.067741 ] [ 0.577027 0.001553 0.929679 ] [ 0.428539 0.500185 0.571892 ] [ 0.577027 0.998447 0.429679 ] [ 0.428539 0.499815 0.071892 ] [ 0.082421 0.002414 0.900176 ] [ 0.082421 0.997586 0.400176 ] [ 0.920864 0.496465 0.605551 ] [ 0.920864 0.503535 0.105551 ] [ 0.864532 0.510786 0.962833 ] [ 0.668747 0.810229 0.936362 ] [ 0.674044 0.194268 0.95008 ] [ 0.575903 0.506808 0.717817 ] [ 0.539207 0.996081 0.559267 ] [ 0.459661 0.500017 0.937482 ] [ 0.426713 0.005568 0.784583 ] [ 0.328678 0.686836 0.559484 ] [ 0.331159 0.311912 0.560455 ] [ 0.181153 0.002069 0.853627 ] [ 0.181153 0.997931 0.353627 ] [ 0.141179 0.998819 0.543826 ] [ 0.058637 0.498718 0.693229 ] [ 0.058637 0.501282 0.193229 ] [ 0.946437 0.003244 0.814602 ] [ 0.946437 0.996756 0.314602 ] [ 0.864532 0.489214 0.462833 ] [ 0.820379 0.503007 0.648527 ] [ 0.820379 0.496993 0.148527 ] [ 0.674044 0.805732 0.45008 ] [ 0.668747 0.189771 0.436362 ] [ 0.575903 0.493192 0.217817 ] [ 0.539207 0.003919 0.059267 ] [ 0.459661 0.499983 0.437482 ] [ 0.426713 0.994432 0.284583 ] [ 0.328678 0.313164 0.059484 ] [ 0.331159 0.688088 0.060455 ] [ 0.141179 0.001181 0.043826 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.27133877 "source-unit" "angstrom" } "b" { "source-value" 6.49256143 "source-unit" "angstrom" } "c" { "source-value" 10.32157225 "source-unit" "angstrom" } "beta" { "source-value" 118.57327747 "source-unit" "degree" } }