{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pca2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.366037 0.620341 0.382267 ] [ 0.633963 0.379659 0.882267 ] [ 0.366037 0.879659 0.882267 ] [ 0.633963 0.120341 0.382267 ] [ 0.233013 0.488986 0.999149 ] [ 0.766987 0.511014 0.499149 ] [ 0.233013 0.011014 0.499149 ] [ 0.766987 0.988986 0.999149 ] [ 0.873758 0.881851 0.620784 ] [ 0.126242 0.118149 0.120784 ] [ 0.873758 0.618149 0.120784 ] [ 0.126242 0.381851 0.620784 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Ir" "Ir" "Ir" "Ir" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.09847712 "source-unit" "angstrom" } "b" { "source-value" 6.11158383 "source-unit" "angstrom" } "c" { "source-value" 6.11168938 "source-unit" "angstrom" } }