{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.468301 0.5 0.274771 ] [ 0.531699 0 0.774771 ] [ 0.116013 0.5 0.666843 ] [ 0.883987 0 0.166843 ] [ 0.98933 0.663216 0.954928 ] [ 0.01067 0.836784 0.454928 ] [ 0.01067 0.163216 0.454928 ] [ 0.98933 0.336784 0.954928 ] [ 0.937116 0.808376 0.032252 ] [ 0.062884 0.691624 0.532252 ] [ 0.062884 0.308376 0.532252 ] [ 0.937116 0.191624 0.032252 ] [ 0.943042 0.822381 0.320421 ] [ 0.056958 0.677619 0.820421 ] [ 0.056958 0.322381 0.820421 ] [ 0.943042 0.177619 0.320421 ] [ 0.44202 0 0.166363 ] [ 0.55798 0.5 0.666363 ] [ 0.033295 0 0.520441 ] [ 0.966705 0.5 0.020441 ] ] } "species" { "source-value" [ "Cs" "Cs" "Nb" "Nb" "B" "B" "B" "B" "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" 4.10354969 "source-unit" "angstrom" } "b" { "source-value" 7.64461368 "source-unit" "angstrom" } "c" { "source-value" 9.88035437 "source-unit" "angstrom" } }