{ "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 0.397663 0.597235 ] [ 0.75 0.602337 0.402765 ] [ 0.75 0.067283 0.608601 ] [ 0.25 0.897663 0.902765 ] [ 0.75 0.102337 0.097235 ] [ 0.25 0.432717 0.108601 ] [ 0.25 0.932717 0.391399 ] [ 0.75 0.567283 0.891399 ] [ 0.75 0.246089 0.347529 ] [ 0.25 0.253911 0.847529 ] [ 0.25 0.753911 0.652471 ] [ 0.75 0.746089 0.152471 ] [ 0.75 0.836329 0.512375 ] [ 0.25 0.237448 0.199478 ] [ 0.25 0.447425 0.409452 ] [ 0.75 0.336329 0.987625 ] [ 0.75 0.552575 0.590548 ] [ 0.75 0.762552 0.800522 ] [ 0.25 0.947425 0.090548 ] [ 0.25 0.163671 0.487625 ] [ 0.25 0.982247 0.712637 ] [ 0.25 0.482247 0.787363 ] [ 0.75 0.017753 0.287363 ] [ 0.25 0.663671 0.012375 ] [ 0.75 0.517753 0.212637 ] [ 0.75 0.262552 0.699478 ] [ 0.25 0.737448 0.300522 ] [ 0.75 0.052575 0.909452 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13292211 "source-unit" "angstrom" } "b" { "source-value" 11.89535169 "source-unit" "angstrom" } "c" { "source-value" 14.68644618 "source-unit" "angstrom" } }