{ "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" [ [ 0.062126 0.75 0.219919 ] [ 0.5 0 0 ] [ 0.589079 0.99786 0.238126 ] [ 0.064637 0.25 0.222826 ] [ 0.5 0.5 0 ] [ 0.589079 0.50214 0.238126 ] [ 0.410921 0.00214 0.761874 ] [ 0.937874 0.25 0.780081 ] [ 0.410921 0.49786 0.761874 ] [ 0.935363 0.75 0.777174 ] [ 0.161505 0.75 0.469835 ] [ 0.838495 0.25 0.530165 ] [ 0.218024 0.75 0.665642 ] [ 0.376938 0.75 0.113384 ] [ 0.731204 0.000688 0.675472 ] [ 0.858213 0.001404 0.116911 ] [ 0.218753 0.25 0.664255 ] [ 0.141787 0.998596 0.883089 ] [ 0.375891 0.25 0.11444 ] [ 0.268796 0.999312 0.324528 ] [ 0.731204 0.499312 0.675472 ] [ 0.623062 0.25 0.886616 ] [ 0.858213 0.498596 0.116911 ] [ 0.781976 0.25 0.334358 ] [ 0.141787 0.501404 0.883089 ] [ 0.268796 0.500688 0.324528 ] [ 0.624109 0.75 0.88556 ] [ 0.781247 0.75 0.335745 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 6.05817271 "source-unit" "angstrom" } "b" { "source-value" 6.94569419 "source-unit" "angstrom" } "c" { "source-value" 12.62066066 "source-unit" "angstrom" } "beta" { "source-value" 98.79112574 "source-unit" "degree" } }