{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.994047 0.989511 0.099763 ] [ 0.994047 0.989511 0.400237 ] [ 0.005953 0.010489 0.599763 ] [ 0.494047 0.510489 0.099763 ] [ 0.494047 0.510489 0.400237 ] [ 0.505953 0.489511 0.599763 ] [ 0.505953 0.489511 0.900237 ] [ 0.005953 0.010489 0.900237 ] [ 0.898639 0.414413 0.75 ] [ 0.601361 0.914413 0.25 ] [ 0.398639 0.085587 0.75 ] [ 0.101361 0.585587 0.25 ] [ 0.508139 0.521975 0.25 ] [ 0.991861 0.021975 0.75 ] [ 0.991886 0.483463 0.144653 ] [ 0.356049 0.142289 0.003591 ] [ 0.491886 0.016537 0.355347 ] [ 0.856049 0.357711 0.003591 ] [ 0.008114 0.516537 0.644653 ] [ 0.008139 0.978025 0.25 ] [ 0.491886 0.016537 0.144653 ] [ 0.643951 0.857711 0.996409 ] [ 0.143951 0.642289 0.503591 ] [ 0.508114 0.983463 0.855347 ] [ 0.643951 0.857711 0.503591 ] [ 0.008114 0.516537 0.855347 ] [ 0.356049 0.142289 0.496409 ] [ 0.491861 0.478025 0.75 ] [ 0.508114 0.983463 0.644653 ] [ 0.856049 0.357711 0.496409 ] [ 0.991886 0.483463 0.355347 ] [ 0.143951 0.642289 0.996409 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sn" "Sn" "Sn" "Sn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.98901457 "source-unit" "angstrom" } "b" { "source-value" 7.08230044 "source-unit" "angstrom" } "c" { "source-value" 24.56861257 "source-unit" "angstrom" } }