{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.844143 0.75 ] [ 0.5 0.155857 0.25 ] [ 0.684007 0.737154 0.421073 ] [ 0.684007 0.262846 0.921073 ] [ 0.315993 0.262846 0.578927 ] [ 0.315993 0.737154 0.078927 ] [ 0.747895 0.478573 0.34575 ] [ 0.744095 0.694969 0.585408 ] [ 0.404418 0.180197 0.886594 ] [ 0.595582 0.819803 0.113406 ] [ 0.252105 0.521427 0.65425 ] [ 0.255905 0.694969 0.914592 ] [ 0.255905 0.305031 0.414592 ] [ 0.747895 0.521427 0.84575 ] [ 0.404418 0.819803 0.386594 ] [ 0.252105 0.478573 0.15425 ] [ 0.595582 0.180197 0.613406 ] [ 0.83594 0.032189 0.863629 ] [ 0.744095 0.305031 0.085408 ] [ 0.16406 0.967811 0.136371 ] [ 0.16406 0.032189 0.636371 ] [ 0.83594 0.967811 0.363629 ] ] } "species" { "source-value" [ "Sr" "Sr" "Al" "Al" "Al" "Al" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39531275831 "source-unit" "angstrom" } "b" { "source-value" 7.10794946 "source-unit" "angstrom" } "c" { "source-value" 12.9394541008 "source-unit" "angstrom" } "beta" { "source-value" 94.5525191227 "source-unit" "degree" } }