{ "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" [ [ 0.730092 0.486309 0.73242 ] [ 0.730092 0.013691 0.73242 ] [ 0.253421 0.993827 0.742744 ] [ 0.253421 0.506173 0.742744 ] [ 0.084055 0.75 0.930606 ] [ 0.915945 0.25 0.069394 ] [ 0.746579 0.006173 0.257256 ] [ 0.746579 0.493827 0.257256 ] [ 0.269908 0.986309 0.26758 ] [ 0.269908 0.513691 0.26758 ] [ 0.651503 0.75 0.935779 ] [ 0.34944 0.25 0.563285 ] [ 0.65056 0.75 0.436715 ] [ 0.348497 0.25 0.064221 ] [ 0.581158 0.25 0.932825 ] [ 0.420002 0.75 0.568731 ] [ 0.579998 0.25 0.431269 ] [ 0.418842 0.75 0.067175 ] [ 0.065927 0.25 0.892306 ] [ 0.069573 0.25 0.389641 ] [ 0.930427 0.75 0.610359 ] [ 0.934073 0.75 0.107694 ] [ 0.87174 0.75 0.963819 ] [ 0.680085 0.064443 0.945363 ] [ 0.680085 0.435557 0.945363 ] [ 0.5711 0.75 0.713698 ] [ 0.545222 0.25 0.563895 ] [ 0.451562 0.75 0.935597 ] [ 0.43038 0.25 0.786659 ] [ 0.324739 0.938401 0.554351 ] [ 0.324739 0.561599 0.554351 ] [ 0.158251 0.25 0.840287 ] [ 0.162491 0.25 0.336858 ] [ 0.13299 0.25 0.532595 ] [ 0.071984 0.75 0.695133 ] [ 0.076715 0.75 0.186455 ] [ 0.923285 0.25 0.813545 ] [ 0.928016 0.25 0.304867 ] [ 0.86701 0.75 0.467405 ] [ 0.837509 0.75 0.663142 ] [ 0.841749 0.75 0.159713 ] [ 0.675261 0.061599 0.445649 ] [ 0.675261 0.438401 0.445649 ] [ 0.56962 0.75 0.213341 ] [ 0.548438 0.25 0.064403 ] [ 0.454778 0.75 0.436105 ] [ 0.4289 0.25 0.286302 ] [ 0.319915 0.564443 0.054637 ] [ 0.319915 0.935557 0.054637 ] [ 0.12826 0.25 0.036181 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "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" 10.16022408 "source-unit" "angstrom" } "b" { "source-value" 6.61901904 "source-unit" "angstrom" } "c" { "source-value" 10.37387773 "source-unit" "angstrom" } "beta" { "source-value" 119.17575612 "source-unit" "degree" } }