{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.312593 0.187407 0.261811 ] [ 0.687407 0.812593 0.261811 ] [ 0.187407 0.687407 0.738189 ] [ 0.812593 0.312593 0.738189 ] [ 0.292755 0.207245 0.643038 ] [ 0.707245 0.792755 0.643038 ] [ 0.207245 0.707245 0.356962 ] [ 0.792755 0.292755 0.356962 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.304855 0.195145 0.478958 ] [ 0.695145 0.804855 0.478958 ] [ 0.195145 0.695145 0.521042 ] [ 0.804855 0.304855 0.521042 ] [ 0.873163 0.626837 0.689598 ] [ 0.126837 0.373163 0.689598 ] [ 0.626837 0.126837 0.310402 ] [ 0.373163 0.873163 0.310402 ] [ 0.996157 0.775485 0.298354 ] [ 0.003843 0.224515 0.298354 ] [ 0.724515 0.503843 0.298354 ] [ 0.275485 0.496157 0.298354 ] [ 0.775485 0.003843 0.701646 ] [ 0.224515 0.996157 0.701646 ] [ 0.496157 0.724515 0.701646 ] [ 0.503843 0.275485 0.701646 ] [ 0.040818 0.810775 0.903224 ] [ 0.959182 0.189225 0.903224 ] [ 0.689225 0.459182 0.903224 ] [ 0.310775 0.540818 0.903224 ] [ 0.810775 0.959182 0.096776 ] [ 0.189225 0.040818 0.096776 ] [ 0.540818 0.689225 0.096776 ] [ 0.459182 0.310775 0.096776 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.51431879 "source-unit" "angstrom" } "c" { "source-value" 10.81530351 "source-unit" "angstrom" } }