{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/ncm" } "basis-atom-coordinates" { "source-value" [ [ 0.513369 0.513369 0.362821 ] [ 0.486631 0.486631 0.637179 ] [ 0.013369 0.013369 0.637179 ] [ 0.013369 0.486631 0.137179 ] [ 0.486631 0.013369 0.137179 ] [ 0.986631 0.513369 0.862821 ] [ 0.513369 0.986631 0.862821 ] [ 0.986631 0.986631 0.362821 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.950207 0.950207 0.820707 ] [ 0.549793 0.549793 0.820707 ] [ 0.450207 0.450207 0.179293 ] [ 0.950207 0.549793 0.320707 ] [ 0.549793 0.950207 0.320707 ] [ 0.049793 0.450207 0.679293 ] [ 0.450207 0.049793 0.679293 ] [ 0.049793 0.049793 0.179293 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0.972447 ] [ 0.25 0.25 0.472447 ] [ 0.75 0.75 0.027553 ] [ 0.75 0.75 0.527553 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 5.6225025 "source-unit" "angstrom" } "c" { "source-value" 12.39384387 "source-unit" "angstrom" } }