{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.3614 0 0.704273 ] [ 0.6386 0 0.295727 ] [ 0 0 0.5 ] [ 0.8614 0.5 0.704273 ] [ 0.1386 0.5 0.295727 ] [ 0.5 0.5 0.5 ] [ 0.963996 0.751084 0.674751 ] [ 0.036004 0.751084 0.325249 ] [ 0.212846 0 0.573324 ] [ 0.787154 0 0.426676 ] [ 0.31536 0 0.898877 ] [ 0.68464 0 0.101123 ] [ 0.036004 0.248916 0.325249 ] [ 0.963996 0.248916 0.674751 ] [ 0.463996 0.251084 0.674751 ] [ 0.536004 0.251084 0.325249 ] [ 0.712846 0.5 0.573324 ] [ 0.287154 0.5 0.426676 ] [ 0.81536 0.5 0.898877 ] [ 0.18464 0.5 0.101123 ] [ 0.536004 0.748916 0.325249 ] [ 0.463996 0.748916 0.674751 ] ] } "species" { "source-value" [ "Tl" "Tl" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 9.05364563371 "source-unit" "angstrom" } "b" { "source-value" 5.5289781579 "source-unit" "angstrom" } "c" { "source-value" 7.97219730829 "source-unit" "angstrom" } "beta" { "source-value" 92.973916441 "source-unit" "degree" } }