{ "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" [ [ 0.837999 0.167767 0.363188 ] [ 0.237134 0.094831 0.044163 ] [ 0.162001 0.667767 0.136812 ] [ 0.762866 0.594831 0.455837 ] [ 0.762866 0.905169 0.955837 ] [ 0.237134 0.405169 0.544163 ] [ 0.162001 0.832233 0.636812 ] [ 0.837999 0.332233 0.863188 ] [ 0.670103 0.882493 0.404389 ] [ 0.329897 0.382493 0.095611 ] [ 0.670103 0.617507 0.904389 ] [ 0.329897 0.117507 0.595611 ] [ 0.124359 0.295605 0.195143 ] [ 0.174005 0.029413 0.385623 ] [ 0.825995 0.529413 0.114377 ] [ 0.419597 0.502352 0.283119 ] [ 0.825995 0.970587 0.614377 ] [ 0.138258 0.618781 0.500497 ] [ 0.419597 0.997648 0.783119 ] [ 0.138258 0.881219 0.000497 ] [ 0.580403 0.002352 0.216881 ] [ 0.875641 0.704395 0.804857 ] [ 0.861742 0.118781 0.999503 ] [ 0.526655 0.270579 0.051583 ] [ 0.861742 0.381219 0.499503 ] [ 0.473345 0.729421 0.948417 ] [ 0.124359 0.204395 0.695143 ] [ 0.526655 0.229421 0.551583 ] [ 0.580403 0.497648 0.716881 ] [ 0.473345 0.770579 0.448417 ] [ 0.174005 0.470587 0.885623 ] [ 0.875641 0.795605 0.304857 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "S" "S" "S" "S" "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" 7.52507243048 "source-unit" "angstrom" } "b" { "source-value" 12.5626602 "source-unit" "angstrom" } "c" { "source-value" 7.83951346667 "source-unit" "angstrom" } "beta" { "source-value" 101.445329868 "source-unit" "degree" } }