{ "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" [ [ 0.663271 0.963687 0.344312 ] [ 0.836729 0.463687 0.655688 ] [ 0.336729 0.036313 0.655688 ] [ 0.163271 0.536313 0.344312 ] [ 0.05801 0.862773 0.101754 ] [ 0.44199 0.362773 0.898246 ] [ 0.94199 0.137227 0.898246 ] [ 0.55801 0.637227 0.101754 ] [ 0.690761 0.749331 0.707368 ] [ 0.809239 0.249331 0.292632 ] [ 0.309239 0.250669 0.292632 ] [ 0.190761 0.750669 0.707368 ] [ 0.927205 0.915194 0.726214 ] [ 0.572795 0.415194 0.273786 ] [ 0.072795 0.084806 0.273786 ] [ 0.427205 0.584806 0.726214 ] [ 0.334782 0.812076 0.465291 ] [ 0.165218 0.312076 0.534709 ] [ 0.665218 0.187924 0.534709 ] [ 0.834782 0.687924 0.465291 ] [ 0.501057 0.849212 0.921731 ] [ 0.998943 0.349212 0.078269 ] [ 0.498943 0.150788 0.078269 ] [ 0.001057 0.650788 0.921731 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Zr" "Zr" "Zr" "Zr" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.01039528029 "source-unit" "angstrom" } "b" { "source-value" 14.36595555 "source-unit" "angstrom" } "c" { "source-value" 9.31569545229 "source-unit" "angstrom" } "beta" { "source-value" 106.006684143 "source-unit" "degree" } }