{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.126475 0.251104 0.877472 ] [ 0 0.624748 0.5 ] [ 0.873525 0.251104 0.122528 ] [ 0.626475 0.751104 0.877472 ] [ 0.5 0.124748 0.5 ] [ 0.373525 0.751104 0.122528 ] [ 0 0.875947 0 ] [ 0.250481 0.998377 0.626021 ] [ 0.749519 0.998377 0.373979 ] [ 0.5 0.375947 0 ] [ 0.750481 0.498377 0.626021 ] [ 0.249519 0.498377 0.373979 ] [ 0.318365 0.822829 0.392438 ] [ 0.681635 0.822829 0.607562 ] [ 0.071445 0.931393 0.747694 ] [ 0.928555 0.931393 0.252306 ] [ 0.819186 0.172682 0.745565 ] [ 0.429514 0.073268 0.103081 ] [ 0.680814 0.672682 0.254435 ] [ 0.570486 0.073268 0.896919 ] [ 0.818365 0.322829 0.392438 ] [ 0.181635 0.322829 0.607562 ] [ 0.571445 0.431393 0.747694 ] [ 0.428555 0.431393 0.252306 ] [ 0.319186 0.672682 0.745565 ] [ 0.929514 0.573268 0.103081 ] [ 0.180814 0.172682 0.254435 ] [ 0.070486 0.573268 0.896919 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "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" 11.94195491 "source-unit" "angstrom" } "b" { "source-value" 8.42417656 "source-unit" "angstrom" } "c" { "source-value" 8.38152644 "source-unit" "angstrom" } "beta" { "source-value" 134.4183237 "source-unit" "degree" } }