{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.895077 0.059715 ] [ 0 0.104923 0.940285 ] [ 0 0.24149 0.25 ] [ 0 0.75851 0.75 ] [ 0 0.895077 0.440285 ] [ 0 0.104923 0.559715 ] [ 0.5 0.395077 0.059715 ] [ 0.5 0.604923 0.940285 ] [ 0.5 0.74149 0.25 ] [ 0.5 0.25851 0.75 ] [ 0.5 0.395077 0.440285 ] [ 0.5 0.604923 0.559715 ] [ 0 0.946729 0.75 ] [ 0 0.053271 0.25 ] [ 0.5 0.446729 0.75 ] [ 0.5 0.553271 0.25 ] [ 0.5 0.772851 0.532229 ] [ 0.5 0.227149 0.467771 ] [ 0.5 0.227149 0.032229 ] [ 0.5 0.772851 0.967771 ] [ 0.5 0.978826 0.90369 ] [ 0.5 0.021174 0.09631 ] [ 0.5 0.021174 0.40369 ] [ 0.5 0.978826 0.59631 ] [ 0.5 0.04097 0.75 ] [ 0.5 0.95903 0.25 ] [ 0.5 0.868867 0.651311 ] [ 0.5 0.131133 0.348689 ] [ 0.5 0.131133 0.151311 ] [ 0.5 0.868867 0.848689 ] [ 0 0.272851 0.532229 ] [ 0 0.727149 0.467771 ] [ 0 0.727149 0.032229 ] [ 0 0.272851 0.967771 ] [ 0 0.478826 0.90369 ] [ 0 0.521174 0.09631 ] [ 0 0.521174 0.40369 ] [ 0 0.478826 0.59631 ] [ 0 0.54097 0.75 ] [ 0 0.45903 0.25 ] [ 0 0.368867 0.651311 ] [ 0 0.631133 0.348689 ] [ 0 0.631133 0.151311 ] [ 0 0.368867 0.848689 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.42778029 "source-unit" "angstrom" } "b" { "source-value" 15.75858244 "source-unit" "angstrom" } "c" { "source-value" 9.32185694 "source-unit" "angstrom" } }