{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.309539 0.809539 0.75 ] [ 0.190461 0.309539 0.25 ] [ 0.809539 0.690461 0.25 ] [ 0.690461 0.190461 0.75 ] [ 0.690461 0.190461 0.25 ] [ 0.809539 0.690461 0.75 ] [ 0.190461 0.309539 0.75 ] [ 0.309539 0.809539 0.25 ] [ 0.151983 0.034603 0 ] [ 0.534603 0.651983 0.5 ] [ 0.848017 0.965397 0 ] [ 0.348017 0.534603 0 ] [ 0.651983 0.465397 0 ] [ 0.034603 0.848017 0.5 ] [ 0.965397 0.151983 0.5 ] [ 0.465397 0.348017 0.5 ] [ 0.097007 0.594614 0 ] [ 0.405386 0.097007 0.5 ] [ 0.594614 0.902993 0.5 ] [ 0.597007 0.905386 0 ] [ 0.402993 0.094614 0 ] [ 0.902993 0.405386 0 ] [ 0.094614 0.597007 0.5 ] [ 0.905386 0.402993 0.5 ] [ 0.177392 0.040454 0.5 ] [ 0.677392 0.459546 0.5 ] [ 0.322608 0.540454 0.5 ] [ 0.959546 0.177392 0 ] [ 0.040454 0.822608 0 ] [ 0.540454 0.677392 0 ] [ 0.822608 0.959546 0.5 ] [ 0.459546 0.322608 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78262268 "source-unit" "angstrom" } "c" { "source-value" 7.41606934 "source-unit" "angstrom" } }