{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.019576 0.926167 0.75 ] [ 0.480424 0.426167 0.75 ] [ 0.519576 0.573833 0.25 ] [ 0.980424 0.073833 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.099777 0.47141 0.25 ] [ 0.193505 0.199774 0.949447 ] [ 0.193505 0.199774 0.550553 ] [ 0.306495 0.699774 0.949447 ] [ 0.306495 0.699774 0.550553 ] [ 0.400223 0.97141 0.25 ] [ 0.599777 0.02859 0.75 ] [ 0.693505 0.300226 0.449447 ] [ 0.693505 0.300226 0.050553 ] [ 0.806495 0.800226 0.449447 ] [ 0.806495 0.800226 0.050553 ] [ 0.900223 0.52859 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 5.22615586 "source-unit" "angstrom" } "b" { "source-value" 5.57849266 "source-unit" "angstrom" } "c" { "source-value" 7.49186281 "source-unit" "angstrom" } }