{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.761187 0.5 0 ] [ 0.238813 0 0.5 ] [ 0.26216 0.5 0.868922 ] [ 0.238804 0.5 0.371942 ] [ 0.238804 0.5 0.628058 ] [ 0.26216 0.5 0.131078 ] [ 0.73784 0 0.631078 ] [ 0.761196 0 0.128058 ] [ 0.761196 0 0.871942 ] [ 0.73784 0 0.368922 ] [ 0.990971 0.74184 0.867688 ] [ 0.513268 0.733672 0.901243 ] [ 0.009029 0.75816 0.632312 ] [ 0.486732 0.766328 0.598757 ] [ 0.009029 0.75816 0.367688 ] [ 0.486732 0.766328 0.401243 ] [ 0.990971 0.74184 0.132312 ] [ 0.513268 0.733672 0.098757 ] [ 0.318314 0.5 0.749696 ] [ 0.318314 0.5 0.250304 ] [ 0.167097 0.5 0 ] [ 0.194615 0.5 0.5 ] [ 0.486732 0.233672 0.401243 ] [ 0.513268 0.266328 0.901243 ] [ 0.513268 0.266328 0.098757 ] [ 0.009029 0.24184 0.367688 ] [ 0.486732 0.233672 0.598757 ] [ 0.990971 0.25816 0.132312 ] [ 0.990971 0.25816 0.867688 ] [ 0.009029 0.24184 0.632312 ] [ 0.805385 0 0 ] [ 0.681686 0 0.750304 ] [ 0.832903 0 0.5 ] [ 0.681686 0 0.249696 ] ] } "species" { "source-value" [ "Th" "Th" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.55610625 "source-unit" "angstrom" } "b" { "source-value" 5.61616291 "source-unit" "angstrom" } "c" { "source-value" 15.81244888 "source-unit" "angstrom" } }