{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.964209 0.25 ] [ 0.5 0.035791 0.75 ] [ 0.5 0.894557 0.75 ] [ 0.5 0.105443 0.25 ] [ 0.5 0.780537 0.75 ] [ 0.5 0.219463 0.25 ] [ 0 0.837864 0.25 ] [ 0 0.162136 0.75 ] [ 0 0.464209 0.25 ] [ 0 0.535791 0.75 ] [ 0 0.394557 0.75 ] [ 0 0.605443 0.25 ] [ 0 0.280537 0.75 ] [ 0 0.719463 0.25 ] [ 0.5 0.337864 0.25 ] [ 0.5 0.662136 0.75 ] [ 0 0.914587 0.25 ] [ 0 0.085413 0.75 ] [ 0 0.06028 0.25 ] [ 0 0.93972 0.75 ] [ 0 0.011784 0.25 ] [ 0 0.988216 0.75 ] [ 0.5 0.414587 0.25 ] [ 0.5 0.585413 0.75 ] [ 0.5 0.56028 0.25 ] [ 0.5 0.43972 0.75 ] [ 0.5 0.511784 0.25 ] [ 0.5 0.488216 0.75 ] [ 0.5 0.838285 0.75 ] [ 0.5 0.161715 0.25 ] [ 0 0.220219 0.75 ] [ 0 0.779781 0.25 ] [ 0 0.338285 0.75 ] [ 0 0.661715 0.25 ] [ 0.5 0.720219 0.75 ] [ 0.5 0.279781 0.25 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.25544784759 "source-unit" "angstrom" } "b" { "source-value" 37.8982688664 "source-unit" "angstrom" } "c" { "source-value" 3.1540983 "source-unit" "angstrom" } }