{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.334676 ] [ 0.5 0.5 0.834676 ] [ 0 0 0.665324 ] [ 0.5 0.5 0.165324 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.692341 0.307659 0.651902 ] [ 0.192341 0.192341 0.848098 ] [ 0.280253 0.719747 0 ] [ 0.780253 0.780253 0.5 ] [ 0.719747 0.280253 0 ] [ 0.219747 0.219747 0.5 ] [ 0.192341 0.192341 0.151902 ] [ 0.692341 0.307659 0.348098 ] [ 0.807659 0.807659 0.848098 ] [ 0.307659 0.692341 0.651902 ] [ 0.807659 0.807659 0.151902 ] [ 0.307659 0.692341 0.348098 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 4.67449879376 "source-unit" "angstrom" } "c" { "source-value" 9.03881595214 "source-unit" "angstrom" } }