{ "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" [ [ 0.984014 0.446777 0.255795 ] [ 0.515986 0.946777 0.244205 ] [ 0.015986 0.553223 0.744205 ] [ 0.484014 0.053223 0.755795 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.329001 0.774069 0.571865 ] [ 0.170999 0.274069 0.928135 ] [ 0.670999 0.225931 0.428135 ] [ 0.829001 0.725931 0.071865 ] [ 0.781901 0.679332 0.450334 ] [ 0.718099 0.179332 0.049666 ] [ 0.218099 0.320668 0.549666 ] [ 0.281901 0.820668 0.950334 ] [ 0.885354 0.943204 0.775458 ] [ 0.614646 0.443204 0.724542 ] [ 0.114646 0.056796 0.224542 ] [ 0.385354 0.556796 0.275458 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Te" "Te" "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" 5.62992189353 "source-unit" "angstrom" } "b" { "source-value" 5.86955343 "source-unit" "angstrom" } "c" { "source-value" 8.12858132734 "source-unit" "angstrom" } "beta" { "source-value" 90.2452245602 "source-unit" "degree" } }