{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.130707 0.75 ] [ 0.5 0.369293 0.25 ] [ 0.5 0.630707 0.75 ] [ 0 0.869293 0.25 ] [ 0.5 0.099452 0.75 ] [ 0 0.400548 0.25 ] [ 0 0.599452 0.75 ] [ 0.5 0.900548 0.25 ] [ 0.147422 0.292561 0.150598 ] [ 0.852578 0.292561 0.349402 ] [ 0.352578 0.207439 0.849402 ] [ 0.647422 0.207439 0.650598 ] [ 0.758609 0.468535 0.794547 ] [ 0.241391 0.468535 0.705453 ] [ 0.741391 0.031465 0.205453 ] [ 0.258609 0.031465 0.294547 ] [ 0.647422 0.792561 0.150598 ] [ 0.352578 0.792561 0.349402 ] [ 0.852578 0.707439 0.849402 ] [ 0.147422 0.707439 0.650598 ] [ 0.258609 0.968535 0.794547 ] [ 0.741391 0.968535 0.705453 ] [ 0.241391 0.531465 0.205453 ] [ 0.758609 0.531465 0.294547 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Nb" "Nb" "Nb" "Nb" "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" 7.18939283 "source-unit" "angstrom" } "b" { "source-value" 11.40644099 "source-unit" "angstrom" } "c" { "source-value" 5.20329066 "source-unit" "angstrom" } "beta" { "source-value" 130.20237999 "source-unit" "degree" } }