{ "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" [ [ 0.021493 0.344981 0.5 ] [ 0.844981 0.478507 0 ] [ 0.856444 0.143556 0 ] [ 0.643556 0.643556 0.5 ] [ 0.655019 0.978507 0.5 ] [ 0.478507 0.844981 0 ] [ 0.521493 0.155019 0 ] [ 0.344981 0.021493 0.5 ] [ 0.356444 0.356444 0.5 ] [ 0.143556 0.856444 0 ] [ 0.155019 0.521493 0 ] [ 0.978507 0.655019 0.5 ] [ 0.82754 0.82754 0 ] [ 0.67246 0.32754 0.5 ] [ 0.32754 0.67246 0.5 ] [ 0.17246 0.17246 0 ] [ 0.964148 0.696807 0 ] [ 0.803193 0.464148 0.5 ] [ 0.696807 0.964148 0 ] [ 0.535852 0.196807 0.5 ] [ 0.464148 0.803193 0.5 ] [ 0.303193 0.035852 0 ] [ 0.196807 0.535852 0.5 ] [ 0.035852 0.303193 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "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" 9.47567147 "source-unit" "angstrom" } "c" { "source-value" 4.61184506 "source-unit" "angstrom" } }