{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.49958 0.75541 0.438836 ] [ 0.590631 0.753322 0.092555 ] [ 0.00042 0.25541 0.061164 ] [ 0.99958 0.74459 0.938836 ] [ 0.409369 0.246678 0.907445 ] [ 0.909369 0.253322 0.407445 ] [ 0.090631 0.746678 0.592555 ] [ 0.50042 0.24459 0.561164 ] [ 0.067868 0.754968 0.25402 ] [ 0.932132 0.245032 0.74598 ] [ 0.567868 0.745032 0.75402 ] [ 0.432132 0.254968 0.24598 ] [ 0.424717 0.928892 0.633795 ] [ 0.131885 0.961021 0.383229 ] [ 0.930894 0.94067 0.132843 ] [ 0.868115 0.038979 0.616771 ] [ 0.569106 0.44067 0.367157 ] [ 0.631885 0.538979 0.883229 ] [ 0.170968 0.239384 0.688341 ] [ 0.075283 0.428892 0.866205 ] [ 0.368115 0.461021 0.116771 ] [ 0.575283 0.071108 0.366205 ] [ 0.069106 0.05933 0.867157 ] [ 0.430894 0.55933 0.632843 ] [ 0.924717 0.571108 0.133795 ] [ 0.670968 0.260616 0.188341 ] [ 0.329032 0.739384 0.811659 ] [ 0.876951 0.450322 0.615917 ] [ 0.623049 0.950322 0.884083 ] [ 0.829032 0.760616 0.311659 ] [ 0.376951 0.049678 0.115917 ] [ 0.123049 0.549678 0.384083 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.36429622587 "source-unit" "angstrom" } "b" { "source-value" 7.30810312 "source-unit" "angstrom" } "c" { "source-value" 11.8019961905 "source-unit" "angstrom" } "beta" { "source-value" 98.1124412898 "source-unit" "degree" } }