{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_122" } "basis-atom-coordinates" { "source-value" [ [ 0.303642 0.20229 0.570466 ] [ 0.79771 0.303642 0.820466 ] [ 0.696358 0.20229 0.429534 ] [ 0.20229 0.303642 0.179534 ] [ 0.696358 0.79771 0.070466 ] [ 0.303642 0.79771 0.929534 ] [ 0.20229 0.696358 0.320466 ] [ 0.79771 0.696358 0.679534 ] [ 0.157521 0.293608 0.022629 ] [ 0.293608 0.157521 0.727371 ] [ 0.706392 0.157521 0.272629 ] [ 0.842479 0.293608 0.977371 ] [ 0.157521 0.706392 0.477371 ] [ 0.293608 0.842479 0.772629 ] [ 0.706392 0.842479 0.227371 ] [ 0.842479 0.706392 0.522629 ] [ 0.304985 0.203107 0.668424 ] [ 0.796893 0.304985 0.918424 ] [ 0.203107 0.304985 0.081576 ] [ 0.304985 0.796893 0.831576 ] [ 0.203107 0.695015 0.418424 ] [ 0.796893 0.695015 0.581576 ] [ 0.695015 0.796893 0.168424 ] [ 0.695015 0.203107 0.331576 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.78376776 "source-unit" "angstrom" } "c" { "source-value" 25.29993393 "source-unit" "angstrom" } }