{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.015555 0.719188 0.283006 ] [ 0.015555 0.280812 0.783006 ] [ 0.515555 0.219188 0.283006 ] [ 0.515555 0.780812 0.783006 ] [ 0.86796 0.176672 0.053667 ] [ 0.86796 0.823328 0.553667 ] [ 0.810068 0.315284 0.39317 ] [ 0.203193 0.296009 0.166676 ] [ 0.810068 0.684716 0.89317 ] [ 0.203193 0.703991 0.666676 ] [ 0.15859 0.173441 0.50341 ] [ 0.15859 0.826559 0.00341 ] [ 0.36796 0.676672 0.053667 ] [ 0.36796 0.323328 0.553667 ] [ 0.310068 0.815284 0.39317 ] [ 0.703193 0.796009 0.166676 ] [ 0.310068 0.184716 0.89317 ] [ 0.703193 0.203991 0.666676 ] [ 0.65859 0.673441 0.50341 ] [ 0.65859 0.326559 0.00341 ] [ 0.829463 0.512712 0.160903 ] [ 0.829463 0.487288 0.660903 ] [ 0.200366 0.51218 0.405428 ] [ 0.029195 0.036628 0.059973 ] [ 0.200366 0.48782 0.905428 ] [ 0.029195 0.963372 0.559973 ] [ 0.329463 0.012712 0.160903 ] [ 0.329463 0.987288 0.660903 ] [ 0.700366 0.01218 0.405428 ] [ 0.529195 0.536628 0.059973 ] [ 0.700366 0.98782 0.905428 ] [ 0.529195 0.463372 0.559973 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "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" 13.16017662 "source-unit" "angstrom" } "b" { "source-value" 5.7935113 "source-unit" "angstrom" } "c" { "source-value" 8.23526528 "source-unit" "angstrom" } "beta" { "source-value" 109.18961994 "source-unit" "degree" } }