{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.371127 ] [ 0 0.75 0.128873 ] [ 0 0.25 0.871127 ] [ 0.5 0.25 0.628873 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.773733 0.75 0.517003 ] [ 0.5 0.009904 0.232651 ] [ 0.5 0.490096 0.232651 ] [ 0.226267 0.75 0.517003 ] [ 0.273733 0.75 0.982997 ] [ 0 0.490096 0.267349 ] [ 0 0.009904 0.267349 ] [ 0.726267 0.75 0.982997 ] [ 0.273733 0.25 0.017003 ] [ 0 0.509904 0.732651 ] [ 0 0.990096 0.732651 ] [ 0.726267 0.25 0.017003 ] [ 0.773733 0.25 0.482997 ] [ 0.5 0.990096 0.767349 ] [ 0.5 0.509904 0.767349 ] [ 0.226267 0.25 0.482997 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "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" 5.94337966 "source-unit" "angstrom" } "b" { "source-value" 6.18379923 "source-unit" "angstrom" } "c" { "source-value" 8.70903038 "source-unit" "angstrom" } }