{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.825801 0.674199 0.5 ] [ 0.674199 0.174199 0.5 ] [ 0.325801 0.825801 0.5 ] [ 0.174199 0.325801 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.140536 0.640536 0.261407 ] [ 0.859464 0.359464 0.261407 ] [ 0.359464 0.140536 0.261407 ] [ 0.640536 0.859464 0.261407 ] [ 0.140536 0.640536 0.738593 ] [ 0.640536 0.859464 0.738593 ] [ 0.859464 0.359464 0.738593 ] [ 0.359464 0.140536 0.738593 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Pd" "Pd" "O" "O" "O" "O" "O" "O" "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" 6.5525437 "source-unit" "angstrom" } "c" { "source-value" 5.91639464 "source-unit" "angstrom" } }