{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.269413 0.819107 0.017589 ] [ 0.769413 0.680893 0.982411 ] [ 0.730587 0.319107 0.482411 ] [ 0.680893 0.982411 0.769413 ] [ 0.482411 0.730587 0.319107 ] [ 0.982411 0.769413 0.680893 ] [ 0.819107 0.017589 0.269413 ] [ 0.017589 0.269413 0.819107 ] [ 0.319107 0.482411 0.730587 ] [ 0.180893 0.517589 0.230587 ] [ 0.517589 0.230587 0.180893 ] [ 0.230587 0.180893 0.517589 ] [ 0.194744 0.970333 0.839954 ] [ 0.694744 0.529667 0.160046 ] [ 0.805256 0.470333 0.660046 ] [ 0.529667 0.160046 0.694744 ] [ 0.660046 0.805256 0.470333 ] [ 0.160046 0.694744 0.529667 ] [ 0.970333 0.839954 0.194744 ] [ 0.839954 0.194744 0.970333 ] [ 0.570463 0.929537 0.070463 ] [ 0.429537 0.429537 0.429537 ] [ 0.070463 0.570463 0.929537 ] [ 0.929537 0.070463 0.570463 ] [ 0.305256 0.029667 0.339954 ] [ 0.339954 0.305256 0.029667 ] [ 0.029667 0.339954 0.305256 ] [ 0.470333 0.660046 0.805256 ] [ 0.821464 0.821464 0.821464 ] [ 0.178536 0.321464 0.678536 ] [ 0.321464 0.678536 0.178536 ] [ 0.678536 0.178536 0.321464 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.53725543 "source-unit" "angstrom" } }