{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.938484 0.677316 ] [ 0.75 0.061516 0.322684 ] [ 0.25 0.438484 0.822684 ] [ 0.75 0.561516 0.177316 ] [ 0.25 0.667676 0.444678 ] [ 0.75 0.332324 0.555322 ] [ 0.25 0.167676 0.055322 ] [ 0.75 0.832324 0.944678 ] [ 0.25 0.520899 0.602366 ] [ 0.75 0.479101 0.397634 ] [ 0.25 0.020899 0.897634 ] [ 0.75 0.979101 0.102366 ] [ 0.25 0.666064 0.006239 ] [ 0.75 0.333936 0.993761 ] [ 0.25 0.166064 0.493761 ] [ 0.75 0.833936 0.506239 ] [ 0.75 0.712513 0.788624 ] [ 0.25 0.287487 0.211376 ] [ 0.75 0.212513 0.711376 ] [ 0.25 0.787487 0.288624 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.21979673 "source-unit" "angstrom" } "b" { "source-value" 9.64021373 "source-unit" "angstrom" } "c" { "source-value" 15.78138653 "source-unit" "angstrom" } }