{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.34175 0.15825 0.50594 ] [ 0.84175 0.34175 0.49406 ] [ 0.15825 0.65825 0.49406 ] [ 0.65825 0.84175 0.50594 ] [ 0.134882 0.365118 0.952264 ] [ 0.634882 0.134882 0.047736 ] [ 0.365118 0.865118 0.047736 ] [ 0.865118 0.634882 0.952264 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.813057 ] [ 0.5 0 0.186943 ] [ 0.142076 0.357924 0.28117 ] [ 0.642076 0.142076 0.71883 ] [ 0.357924 0.857924 0.71883 ] [ 0.857924 0.642076 0.28117 ] [ 0.082054 0.17151 0.784334 ] [ 0.82849 0.082054 0.215666 ] [ 0.17151 0.917946 0.215666 ] [ 0.917946 0.82849 0.784334 ] [ 0.582054 0.32849 0.215666 ] [ 0.417946 0.67151 0.215666 ] [ 0.67151 0.582054 0.784334 ] [ 0.32849 0.417946 0.784334 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Be" "Be" "Be" "Be" "Ge" "Ge" "O" "O" "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" 7.46130763 "source-unit" "angstrom" } "c" { "source-value" 4.83343802 "source-unit" "angstrom" } }