{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.923335 0 0.763273 ] [ 0.262799 0.5 0.202351 ] [ 0.737201 0.5 0.797649 ] [ 0.076665 0 0.236727 ] [ 0.423335 0.5 0.763273 ] [ 0.762799 0 0.202351 ] [ 0.237201 0 0.797649 ] [ 0.576665 0.5 0.236727 ] [ 0.100798 0 0.076821 ] [ 0 0.685367 0 ] [ 0.899202 0 0.923179 ] [ 0 0.314633 0 ] [ 0.600798 0.5 0.076821 ] [ 0.5 0.185367 0 ] [ 0.399202 0.5 0.923179 ] [ 0.5 0.814633 0 ] [ 0.899085 0.5 0.151674 ] [ 0.5 0 0.5 ] [ 0.294533 0.5 0.44334 ] [ 0.705467 0.5 0.55666 ] [ 0.100915 0.5 0.848326 ] [ 0.399085 0 0.151674 ] [ 0 0.5 0.5 ] [ 0.794533 0 0.44334 ] [ 0.205467 0 0.55666 ] [ 0.600915 0 0.848326 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "B" "B" "B" "B" "B" "B" "B" "B" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.7986831528 "source-unit" "angstrom" } "b" { "source-value" 4.28721204142 "source-unit" "angstrom" } "c" { "source-value" 14.4798595446 "source-unit" "angstrom" } "beta" { "source-value" 146.134301863 "source-unit" "degree" } }