{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.125357 0.580348 0.639037 ] [ 0.374643 0.419652 0.139037 ] [ 0.874643 0.080348 0.860963 ] [ 0.625357 0.919652 0.360963 ] [ 0.552751 0.603499 0.258343 ] [ 0.947249 0.396501 0.758343 ] [ 0.447249 0.103499 0.241657 ] [ 0.052751 0.896501 0.741657 ] [ 0.862737 0.695931 0.506164 ] [ 0.300418 0.666832 0.010137 ] [ 0.072178 0.448908 0.230505 ] [ 0.427822 0.551092 0.730505 ] [ 0.199582 0.333168 0.510137 ] [ 0.637263 0.304069 0.006164 ] [ 0.137263 0.195931 0.993836 ] [ 0.699582 0.166832 0.489863 ] [ 0.927822 0.948908 0.269495 ] [ 0.572178 0.051092 0.769495 ] [ 0.800418 0.833168 0.989863 ] [ 0.362737 0.804069 0.493836 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "F" "F" "F" "F" "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" 5.51524807 "source-unit" "angstrom" } "b" { "source-value" 5.58613344 "source-unit" "angstrom" } "c" { "source-value" 9.63139387 "source-unit" "angstrom" } }