{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.765711 0.131386 0.119221 ] [ 0.131386 0.234289 0.880779 ] [ 0.868614 0.765711 0.880779 ] [ 0.234289 0.868614 0.119221 ] [ 0.265711 0.631386 0.619221 ] [ 0.631386 0.734289 0.380779 ] [ 0.368614 0.265711 0.380779 ] [ 0.734289 0.368614 0.619221 ] ] } "species" { "source-value" [ "Be" "Be" "S" "S" "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" 4.55788315396 "source-unit" "angstrom" } "c" { "source-value" 6.99217051656 "source-unit" "angstrom" } }