{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.523762 0.5 0.143408 ] [ 0.476238 0 0.643408 ] [ 0.175435 0 0.243492 ] [ 0.824565 0.5 0.743492 ] [ 0.018893 0.666435 0.456227 ] [ 0.981107 0.166435 0.956227 ] [ 0.018893 0.333565 0.456227 ] [ 0.981107 0.833565 0.956227 ] [ 0.148262 0.809255 0.385798 ] [ 0.148262 0.190745 0.385798 ] [ 0.851738 0.309255 0.885798 ] [ 0.645141 0 0.241649 ] [ 0.354859 0.5 0.741649 ] [ 0.123103 0.184081 0.086552 ] [ 0.123103 0.815919 0.086552 ] [ 0.851738 0.690745 0.885798 ] [ 0.876897 0.315919 0.586552 ] [ 0.952601 0 0.887499 ] [ 0.876897 0.684081 0.586552 ] [ 0.047399 0.5 0.387499 ] ] } "species" { "source-value" [ "K" "K" "Ta" "Ta" "B" "B" "B" "B" "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" 3.95555269 "source-unit" "angstrom" } "b" { "source-value" 7.49629401 "source-unit" "angstrom" } "c" { "source-value" 9.47237338 "source-unit" "angstrom" } }