{ "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" [ [ 0.993411 0.527428 0.255019 ] [ 0.006589 0.472572 0.744981 ] [ 0.493411 0.972572 0.755019 ] [ 0.506589 0.027428 0.244981 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.792387 0.269887 0.018428 ] [ 0.731765 0.79062 0.022471 ] [ 0.292387 0.230113 0.518428 ] [ 0.707613 0.769887 0.481572 ] [ 0.231765 0.70938 0.522471 ] [ 0.768235 0.29062 0.477529 ] [ 0.043166 0.998714 0.238094 ] [ 0.268235 0.20938 0.977529 ] [ 0.956834 0.001286 0.761906 ] [ 0.207613 0.730113 0.981572 ] [ 0.456834 0.498714 0.261906 ] [ 0.543166 0.501286 0.738094 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.23817560334 "source-unit" "angstrom" } "b" { "source-value" 7.22883297 "source-unit" "angstrom" } "c" { "source-value" 10.297902203 "source-unit" "angstrom" } "beta" { "source-value" 90.448757323 "source-unit" "degree" } }