{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.011896 0.95597 0.75 ] [ 0.488104 0.45597 0.75 ] [ 0.511896 0.54403 0.25 ] [ 0.988104 0.04403 0.25 ] [ 0.10007 0.468636 0.25 ] [ 0.191829 0.199822 0.950702 ] [ 0.191829 0.199822 0.549298 ] [ 0.308171 0.699822 0.950702 ] [ 0.308171 0.699822 0.549298 ] [ 0.39993 0.968636 0.25 ] [ 0.60007 0.031364 0.75 ] [ 0.691829 0.300178 0.450702 ] [ 0.691829 0.300178 0.049298 ] [ 0.808171 0.800178 0.450702 ] [ 0.808171 0.800178 0.049298 ] [ 0.89993 0.531364 0.75 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Bi" "Bi" "Bi" "Bi" "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" 5.48766651 "source-unit" "angstrom" } "b" { "source-value" 5.76989024 "source-unit" "angstrom" } "c" { "source-value" 7.8669241 "source-unit" "angstrom" } }