{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.170747 ] [ 0 0.25 0.829253 ] [ 0.5 0.75 0.670747 ] [ 0.5 0.25 0.329253 ] [ 0 0.75 0.433934 ] [ 0 0.25 0.566066 ] [ 0.5 0.25 0.066066 ] [ 0.5 0.75 0.933934 ] [ 0.770167 0.57578 0.308998 ] [ 0.770167 0.07578 0.691002 ] [ 0.741551 0.583597 0.060495 ] [ 0.741551 0.083597 0.939505 ] [ 0.758449 0.083597 0.439505 ] [ 0.758449 0.583597 0.560495 ] [ 0.729833 0.07578 0.191002 ] [ 0.729833 0.57578 0.808998 ] [ 0.270167 0.42422 0.191002 ] [ 0.270167 0.92422 0.808998 ] [ 0.241551 0.416403 0.439505 ] [ 0.241551 0.916403 0.560495 ] [ 0.258449 0.916403 0.060495 ] [ 0.258449 0.416403 0.939505 ] [ 0.229833 0.42422 0.691002 ] [ 0.229833 0.92422 0.308998 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "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" 4.55854903 "source-unit" "angstrom" } "b" { "source-value" 4.97047878 "source-unit" "angstrom" } "c" { "source-value" 11.75989036 "source-unit" "angstrom" } }