{ "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" [ [ 0.759816 0.503992 0.233803 ] [ 0.759816 0.996008 0.233803 ] [ 0.240184 0.496008 0.766197 ] [ 0.240184 0.003992 0.766197 ] [ 0.20651 0.25 0.348465 ] [ 0.79349 0.75 0.651535 ] [ 0.298153 0.75 0.429108 ] [ 0.701847 0.25 0.570892 ] [ 0.272174 0.25 0.074327 ] [ 0.727826 0.75 0.925673 ] [ 0.703283 0.75 0.062606 ] [ 0.050164 0.25 0.139009 ] [ 0.463004 0.25 0.170641 ] [ 0.220591 0.958905 0.333927 ] [ 0.220591 0.541095 0.333927 ] [ 0.859827 0.25 0.417212 ] [ 0.606459 0.75 0.459214 ] [ 0.393541 0.25 0.540786 ] [ 0.140173 0.75 0.582788 ] [ 0.779409 0.458905 0.666073 ] [ 0.779409 0.041095 0.666073 ] [ 0.536996 0.75 0.829359 ] [ 0.949836 0.75 0.860991 ] [ 0.296717 0.25 0.937394 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "Si" "Si" "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" 5.29263282 "source-unit" "angstrom" } "b" { "source-value" 6.47378688 "source-unit" "angstrom" } "c" { "source-value" 9.05006092 "source-unit" "angstrom" } "beta" { "source-value" 91.19373237 "source-unit" "degree" } }