{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.752693 0.248027 0.257674 ] [ 0.752693 0.751973 0.257674 ] [ 0.24914 0.749468 0.740938 ] [ 0.24914 0.250532 0.740938 ] [ 0.758462 0.5 0.916958 ] [ 0.254755 0 0.095011 ] [ 0.223187 0.5 0.357027 ] [ 0.776659 0 0.63769 ] [ 0.295229 0 0.403298 ] [ 0.706011 0.5 0.589667 ] [ 0.265897 0.5 0.057467 ] [ 0.729912 0 0.950724 ] [ 0.651768 0 0.087298 ] [ 0.039052 0.5 0.11919 ] [ 0.472444 0.5 0.143338 ] [ 0.21674 0.181149 0.307276 ] [ 0.21674 0.818851 0.307276 ] [ 0.595507 0 0.427835 ] [ 0.826829 0.5 0.432023 ] [ 0.167937 0 0.559946 ] [ 0.404103 0.5 0.570125 ] [ 0.788686 0.683128 0.682484 ] [ 0.788686 0.316872 0.682484 ] [ 0.555297 0 0.842752 ] [ 0.97592 0 0.919329 ] [ 0.286509 0.5 0.913579 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Li" "Mn" "Mn" "P" "P" "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" 5.16333568 "source-unit" "angstrom" } "b" { "source-value" 6.83672751 "source-unit" "angstrom" } "c" { "source-value" 8.94920336 "source-unit" "angstrom" } "beta" { "source-value" 90.89722736 "source-unit" "degree" } }