{ "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" [ [ 0.762114 0.005259 0.196011 ] [ 0.762114 0.494741 0.196011 ] [ 0.237886 0.505259 0.803989 ] [ 0.237886 0.994741 0.803989 ] [ 0.268779 0.75 0.436125 ] [ 0.731221 0.25 0.563875 ] [ 0.278666 0.25 0.079009 ] [ 0.721334 0.75 0.920991 ] [ 0.216899 0.25 0.344652 ] [ 0.783101 0.75 0.655348 ] [ 0.682339 0.75 0.056668 ] [ 0.048438 0.25 0.146615 ] [ 0.468347 0.25 0.194869 ] [ 0.193662 0.947502 0.338728 ] [ 0.193662 0.552498 0.338728 ] [ 0.876645 0.25 0.414394 ] [ 0.570978 0.75 0.476509 ] [ 0.429022 0.25 0.523491 ] [ 0.123355 0.75 0.585606 ] [ 0.806338 0.447502 0.661272 ] [ 0.806338 0.052498 0.661272 ] [ 0.531653 0.75 0.805131 ] [ 0.951562 0.75 0.853385 ] [ 0.317661 0.25 0.943332 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Si" "Si" "B" "B" "Sb" "Sb" "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" 5.44211229 "source-unit" "angstrom" } "b" { "source-value" 6.63995129 "source-unit" "angstrom" } "c" { "source-value" 9.38537877 "source-unit" "angstrom" } "beta" { "source-value" 93.12390343 "source-unit" "degree" } }