{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.945255 ] [ 0 0.5 0.945255 ] [ 0 0 0.510736 ] [ 0.5 0.5 0.510736 ] [ 0.201625 0 0.022741 ] [ 0 0.698012 0.512273 ] [ 0 0.301988 0.512273 ] [ 0.798375 0 0.022741 ] [ 0.701625 0.5 0.022741 ] [ 0.5 0.198012 0.512273 ] [ 0.5 0.801988 0.512273 ] [ 0.298375 0.5 0.022741 ] ] } "species" { "source-value" [ "Nb" "Nb" "V" "V" "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" 6.57063939 "source-unit" "angstrom" } "b" { "source-value" 6.79659745 "source-unit" "angstrom" } "c" { "source-value" 3.15744651 "source-unit" "angstrom" } }