{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.661127 ] [ 0 0.25 0.838873 ] [ 0.5 0.25 0.338873 ] [ 0 0.75 0.161127 ] [ 0.729746 0.080632 0.613734 ] [ 0.229746 0.919368 0.886266 ] [ 0.770254 0.580632 0.886266 ] [ 0.270254 0.419368 0.613734 ] [ 0.729746 0.580632 0.386266 ] [ 0.229746 0.419368 0.113734 ] [ 0.770254 0.080632 0.113734 ] [ 0.270254 0.919368 0.386266 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "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" 4.76176727 "source-unit" "angstrom" } "b" { "source-value" 5.24874869 "source-unit" "angstrom" } "c" { "source-value" 5.78271821 "source-unit" "angstrom" } }