{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.487518 0.885785 ] [ 0.25 0.512482 0.385785 ] [ 0.25 0.989004 0.610226 ] [ 0.25 0.010996 0.110226 ] [ 0.75 0.989004 0.889774 ] [ 0.75 0.512482 0.114215 ] [ 0.75 0.010996 0.389774 ] [ 0.75 0.487518 0.614215 ] [ 0 0.737406 0.75 ] [ 0.5 0.262594 0.25 ] [ 0 0.235267 0.75 ] [ 0 0.262594 0.25 ] [ 0.5 0.737406 0.75 ] [ 0.5 0.764733 0.25 ] [ 0.5 0.235267 0.75 ] [ 0 0.764733 0.25 ] [ 0.75 0.987461 0.657509 ] [ 0.25 0.012539 0.342491 ] [ 0.25 0.511876 0.158092 ] [ 0.491381 0.731282 0.999702 ] [ 0.508619 0.731282 0.500298 ] [ 0.75 0.511876 0.341908 ] [ 0.491381 0.268718 0.499702 ] [ 0.008619 0.731282 0.999702 ] [ 0.008619 0.268718 0.499702 ] [ 0.991381 0.731282 0.500298 ] [ 0.508619 0.268718 0.000298 ] [ 0.75 0.012539 0.157509 ] [ 0.75 0.488124 0.841908 ] [ 0.25 0.488124 0.658092 ] [ 0.25 0.987461 0.842491 ] [ 0.991381 0.268718 0.000298 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.77155869 "source-unit" "angstrom" } "b" { "source-value" 5.78952724 "source-unit" "angstrom" } "c" { "source-value" 20.53046049 "source-unit" "angstrom" } }