{ "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" [ [ 0.314238 0.53842 0.706557 ] [ 0.314238 0.96158 0.206557 ] [ 0.685762 0.03842 0.793443 ] [ 0.685762 0.46158 0.293443 ] [ 0.444471 0.253927 0.988646 ] [ 0.444471 0.246073 0.488646 ] [ 0.555529 0.753927 0.511354 ] [ 0.555529 0.746073 0.011354 ] [ 0.055517 0.819774 0.850527 ] [ 0.055517 0.680226 0.350527 ] [ 0.944483 0.319774 0.649473 ] [ 0.944483 0.180226 0.149473 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.09870472 "source-unit" "angstrom" } "b" { "source-value" 4.98775975 "source-unit" "angstrom" } "c" { "source-value" 5.21102773 "source-unit" "angstrom" } "beta" { "source-value" 102.20097016 "source-unit" "degree" } }