{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.000122 0 0.5 ] [ 0.005358 0 0.162708 ] [ 0.005358 0 0.837292 ] [ 0.486681 0 0 ] [ 0.502801 0 0.666714 ] [ 0.502801 0 0.333286 ] [ 0.500122 0.5 0.5 ] [ 0.505358 0.5 0.162708 ] [ 0.505358 0.5 0.837292 ] [ 0.986681 0.5 0 ] [ 0.002801 0.5 0.666714 ] [ 0.002801 0.5 0.333286 ] [ 0.192971 0 0 ] [ 0.692971 0.5 0 ] [ 0.197909 0 0.66697 ] [ 0.197909 0 0.33303 ] [ 0.998955 0.696358 0.833429 ] [ 0.998955 0.696358 0.166571 ] [ 0.001123 0.696442 0.5 ] [ 0.998955 0.303642 0.833429 ] [ 0.998955 0.303642 0.166571 ] [ 0.001123 0.303558 0.5 ] [ 0.807853 0 0.670028 ] [ 0.794289 0 0 ] [ 0.807853 0 0.329972 ] [ 0.697909 0.5 0.66697 ] [ 0.697909 0.5 0.33303 ] [ 0.498955 0.196358 0.833429 ] [ 0.498955 0.196358 0.166571 ] [ 0.501123 0.196442 0.5 ] [ 0.498955 0.803642 0.833429 ] [ 0.498955 0.803642 0.166571 ] [ 0.501123 0.803558 0.5 ] [ 0.307853 0.5 0.670028 ] [ 0.294289 0.5 0 ] [ 0.307853 0.5 0.329972 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.61589615 "source-unit" "angstrom" } "b" { "source-value" 6.66601602 "source-unit" "angstrom" } "c" { "source-value" 9.33444787 "source-unit" "angstrom" } }