{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.371792 0 0.61132 ] [ 0.628208 0 0.38868 ] [ 0.871792 0.5 0.61132 ] [ 0.128208 0.5 0.38868 ] [ 0.762904 0 0.823984 ] [ 0.097484 0.830908 0.835737 ] [ 0.097484 0.169092 0.835737 ] [ 0.902516 0.830908 0.164263 ] [ 0.902516 0.169092 0.164263 ] [ 0.237096 0 0.176016 ] [ 0.262904 0.5 0.823984 ] [ 0.597484 0.330908 0.835737 ] [ 0.597484 0.669092 0.835737 ] [ 0.402516 0.330908 0.164263 ] [ 0.402516 0.669092 0.164263 ] [ 0.737096 0.5 0.176016 ] ] } "species" { "source-value" [ "As" "As" "N" "N" "O" "O" "O" "O" "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" 6.50361270859 "source-unit" "angstrom" } "b" { "source-value" 7.38615328504 "source-unit" "angstrom" } "c" { "source-value" 6.14127712765 "source-unit" "angstrom" } "beta" { "source-value" 96.8039811504 "source-unit" "degree" } }