{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_122" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.232512 0 ] [ 0.767488 0.5 0.25 ] [ 0.5 0.767488 0.5 ] [ 0.232512 0.5 0.75 ] [ 0.5 0.7424 0 ] [ 0.2576 0.5 0.25 ] [ 0.5 0.2576 0.5 ] [ 0.7424 0.5 0.75 ] [ 0 0.742681 0 ] [ 0.257319 0 0.25 ] [ 0 0.257319 0.5 ] [ 0.742681 0 0.75 ] [ 0.539452 0.539452 0.875 ] [ 0.926584 0.926584 0.875 ] [ 0.557271 0.947531 0.879275 ] [ 0.947531 0.557271 0.870725 ] [ 0.734117 0.244706 0.817749 ] [ 0.265883 0.244706 0.182251 ] [ 0.052469 0.557271 0.129275 ] [ 0.460548 0.539452 0.125 ] [ 0.073416 0.926584 0.125 ] [ 0.442729 0.947531 0.120725 ] [ 0.755294 0.734117 0.067749 ] [ 0.755294 0.265883 0.432251 ] [ 0.073416 0.073416 0.375 ] [ 0.052469 0.442729 0.370725 ] [ 0.460548 0.460548 0.375 ] [ 0.442729 0.052469 0.379275 ] [ 0.265883 0.755294 0.317749 ] [ 0.734117 0.755294 0.682251 ] [ 0.926584 0.073416 0.625 ] [ 0.557271 0.052469 0.620725 ] [ 0.539452 0.460548 0.625 ] [ 0.947531 0.442729 0.629275 ] [ 0.244706 0.265883 0.567749 ] [ 0.244706 0.734117 0.932251 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.3331086 "source-unit" "angstrom" } "c" { "source-value" 10.32179305 "source-unit" "angstrom" } }