{ "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" [ [ 0.822599 0.5 0.709095 ] [ 0.177401 0.5 0.290905 ] [ 0.322599 0 0.709095 ] [ 0.677401 0 0.290905 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.793938 0 0.86601 ] [ 0.206062 0 0.13399 ] [ 0.330623 0 0.466877 ] [ 0.982393 0 0.766581 ] [ 0.017607 0 0.233419 ] [ 0.669377 0 0.533123 ] [ 0.293938 0.5 0.86601 ] [ 0.706062 0.5 0.13399 ] [ 0.830623 0.5 0.466877 ] [ 0.482393 0.5 0.766581 ] [ 0.517607 0.5 0.233419 ] [ 0.169377 0.5 0.533123 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Pd" "Pd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.17541156 "source-unit" "angstrom" } "b" { "source-value" 3.40640197 "source-unit" "angstrom" } "c" { "source-value" 11.17200908 "source-unit" "angstrom" } "beta" { "source-value" 121.6260557 "source-unit" "degree" } }