{ "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" [ [ 0.151438 0.636806 0.129448 ] [ 0.348562 0.363194 0.629448 ] [ 0.651438 0.863194 0.870552 ] [ 0.848562 0.136806 0.370552 ] [ 0.058705 0.904276 0.252676 ] [ 0.954219 0.657157 0.96156 ] [ 0.545781 0.342843 0.46156 ] [ 0.441295 0.095724 0.752676 ] [ 0.558705 0.595724 0.747324 ] [ 0.454219 0.842843 0.03844 ] [ 0.045781 0.157157 0.53844 ] [ 0.941295 0.404276 0.247324 ] [ 0.089425 0.622692 0.622413 ] [ 0.410575 0.377308 0.122413 ] [ 0.589425 0.877308 0.377587 ] [ 0.910575 0.122692 0.877587 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.18492558 "source-unit" "angstrom" } "b" { "source-value" 5.42212448 "source-unit" "angstrom" } "c" { "source-value" 9.03185284 "source-unit" "angstrom" } }