{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.141669 0.335101 0.255296 ] [ 0.858331 0.335101 0.755296 ] [ 0.858331 0.664899 0.755296 ] [ 0.141669 0.664899 0.255296 ] [ 0.641669 0.835101 0.255296 ] [ 0.358331 0.835101 0.755296 ] [ 0.358331 0.164899 0.755296 ] [ 0.641669 0.164899 0.255296 ] [ 0.091924 0 0.237599 ] [ 0.908076 0 0.737599 ] [ 0.591924 0.5 0.237599 ] [ 0.408076 0.5 0.737599 ] [ 0.010218 0.120021 0.495432 ] [ 0.989782 0.120021 0.995432 ] [ 0.648788 0 0.693076 ] [ 0.351212 0 0.193076 ] [ 0.989782 0.879979 0.995432 ] [ 0.010218 0.879979 0.495432 ] [ 0.510218 0.620021 0.495432 ] [ 0.489782 0.620021 0.995432 ] [ 0.148788 0.5 0.693076 ] [ 0.851212 0.5 0.193076 ] [ 0.489782 0.379979 0.995432 ] [ 0.510218 0.379979 0.495432 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ce" "Ce" "Ce" "Ce" "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" 7.82729274 "source-unit" "angstrom" } "b" { "source-value" 11.66196108 "source-unit" "angstrom" } "c" { "source-value" 6.54551856 "source-unit" "angstrom" } }