{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.749528 0.497399 0.497211 ] [ 0.250472 0.997399 0.502789 ] [ 0.245476 0.001261 0.996134 ] [ 0.754524 0.501261 0.003866 ] [ 0.250364 0.50484 0.251344 ] [ 0.749636 0.00484 0.748656 ] [ 0.750386 0.003633 0.248709 ] [ 0.249614 0.503633 0.751291 ] [ 0.527827 0.223496 0.251929 ] [ 0.472173 0.723496 0.748071 ] [ 0.033745 0.278018 0.74791 ] [ 0.966255 0.778018 0.25209 ] [ 0.013542 0.737572 0.746535 ] [ 0.747992 0.006511 0.013854 ] [ 0.751745 0.001695 0.484976 ] [ 0.516509 0.764484 0.251974 ] [ 0.248255 0.501695 0.515024 ] [ 0.252008 0.506511 0.986146 ] [ 0.986458 0.237572 0.253465 ] [ 0.483491 0.264484 0.748026 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Nb" "Nb" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.07810063 "source-unit" "angstrom" } "b" { "source-value" 6.08342768 "source-unit" "angstrom" } "c" { "source-value" 8.63949521 "source-unit" "angstrom" } "beta" { "source-value" 90.05754474 "source-unit" "degree" } }