{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.614745 0.614745 0 ] [ 0.114745 0.885255 0.5 ] [ 0.885255 0.114745 0.5 ] [ 0.385255 0.385255 0 ] [ 0.174709 0.174709 0.5 ] [ 0.674709 0.325291 0 ] [ 0.325291 0.674709 0 ] [ 0.825291 0.825291 0.5 ] [ 0.48321 0.108212 0 ] [ 0.608212 0.01679 0.5 ] [ 0.391788 0.98321 0.5 ] [ 0.51679 0.891788 0 ] [ 0.01679 0.608212 0.5 ] [ 0.98321 0.391788 0.5 ] [ 0.108212 0.48321 0 ] [ 0.891788 0.51679 0 ] [ 0.282241 0.075518 0 ] [ 0.575518 0.217759 0.5 ] [ 0.424482 0.782241 0.5 ] [ 0.717759 0.924482 0 ] [ 0.217759 0.575518 0.5 ] [ 0.782241 0.424482 0.5 ] [ 0.075518 0.282241 0 ] [ 0.924482 0.717759 0 ] [ 0.89953 0.89953 0 ] [ 0.39953 0.60047 0.5 ] [ 0.60047 0.39953 0.5 ] [ 0.10047 0.10047 0 ] [ 0.382601 0.16932 0.5 ] [ 0.66932 0.117399 0 ] [ 0.33068 0.882601 0 ] [ 0.617399 0.83068 0.5 ] [ 0.117399 0.66932 0 ] [ 0.882601 0.33068 0 ] [ 0.16932 0.382601 0.5 ] [ 0.83068 0.617399 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.34091047 "source-unit" "angstrom" } "c" { "source-value" 4.47240889 "source-unit" "angstrom" } }