{ "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 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.518708 0.565491 0.75 ] [ 0.481292 0.434509 0.25 ] [ 0.018708 0.934509 0.25 ] [ 0.981292 0.065491 0.75 ] [ 0.681998 0.31398 0.559921 ] [ 0.318002 0.68602 0.440079 ] [ 0.181998 0.18602 0.440079 ] [ 0.818002 0.81398 0.559921 ] [ 0.318002 0.68602 0.059921 ] [ 0.681998 0.31398 0.940079 ] [ 0.818002 0.81398 0.940079 ] [ 0.181998 0.18602 0.059921 ] [ 0.130427 0.442679 0.75 ] [ 0.869573 0.557321 0.25 ] [ 0.630427 0.057321 0.25 ] [ 0.369573 0.942679 0.75 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "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" 5.37565652299 "source-unit" "angstrom" } "b" { "source-value" 5.7335634619 "source-unit" "angstrom" } "c" { "source-value" 7.74435325406 "source-unit" "angstrom" } }