{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.347967 0.774768 0.099779 ] [ 0.652033 0.274768 0.400221 ] [ 0.652033 0.225232 0.900221 ] [ 0.347967 0.725232 0.599779 ] [ 0.166143 0.265391 0.304918 ] [ 0.833857 0.765391 0.195082 ] [ 0.833857 0.734609 0.695082 ] [ 0.166143 0.234609 0.804918 ] [ 0.333237 0.492976 0.865026 ] [ 0.666763 0.992976 0.634974 ] [ 0.666763 0.507024 0.134974 ] [ 0.333237 0.007024 0.365026 ] [ 0.381547 0.016766 0.830566 ] [ 0.618453 0.516766 0.669434 ] [ 0.618453 0.983234 0.169434 ] [ 0.381547 0.483234 0.330566 ] [ 0.169239 0.162406 0.053037 ] [ 0.830761 0.662406 0.446963 ] [ 0.830761 0.837594 0.946963 ] [ 0.169239 0.337594 0.553037 ] [ 0.052044 0.581797 0.209165 ] [ 0.947956 0.081797 0.290835 ] [ 0.947956 0.418203 0.790835 ] [ 0.052044 0.918203 0.709165 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "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" 7.76694254979 "source-unit" "angstrom" } "b" { "source-value" 5.59302088 "source-unit" "angstrom" } "c" { "source-value" 7.86197711405 "source-unit" "angstrom" } "beta" { "source-value" 101.127783066 "source-unit" "degree" } }