{ "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" [ [ 0.772685 0.501562 0.216852 ] [ 0.772685 0.998438 0.216852 ] [ 0.227315 0.498438 0.783148 ] [ 0.227315 0.001562 0.783148 ] [ 0.23349 0.25 0.36821 ] [ 0.76651 0.75 0.63179 ] [ 0.284307 0.75 0.416112 ] [ 0.715693 0.25 0.583888 ] [ 0.270111 0.25 0.07008 ] [ 0.729889 0.75 0.92992 ] [ 0.703279 0.75 0.066839 ] [ 0.047549 0.25 0.13412 ] [ 0.471087 0.25 0.158434 ] [ 0.177905 0.928453 0.336201 ] [ 0.177905 0.571547 0.336201 ] [ 0.793733 0.25 0.419976 ] [ 0.585863 0.75 0.411691 ] [ 0.414137 0.25 0.588309 ] [ 0.206267 0.75 0.580024 ] [ 0.822095 0.428453 0.663799 ] [ 0.822095 0.071547 0.663799 ] [ 0.528913 0.75 0.841566 ] [ 0.952451 0.75 0.86588 ] [ 0.296721 0.25 0.933161 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Tl" "Tl" "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" 5.25850597 "source-unit" "angstrom" } "b" { "source-value" 6.96491372 "source-unit" "angstrom" } "c" { "source-value" 9.19288693 "source-unit" "angstrom" } "beta" { "source-value" 90.02112088 "source-unit" "degree" } }