{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnn2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.31235 ] [ 0.5 0 0.173909 ] [ 0 0.5 0.673909 ] [ 0.5 0.5 0.81235 ] [ 0 0 0.897797 ] [ 0.5 0 0.588226 ] [ 0 0.5 0.088226 ] [ 0.5 0.5 0.397797 ] [ 0.710641 0.827087 0.733016 ] [ 0.705078 0.846278 0.424508 ] [ 0.792119 0.812897 0.071065 ] [ 0.292119 0.687103 0.571065 ] [ 0.205078 0.653722 0.924508 ] [ 0.210641 0.672913 0.233016 ] [ 0.789359 0.327087 0.233016 ] [ 0.794922 0.346278 0.924508 ] [ 0.707881 0.312897 0.571065 ] [ 0.207881 0.187103 0.071065 ] [ 0.294922 0.153722 0.424508 ] [ 0.289359 0.172913 0.733016 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Te" "Te" "Te" "Te" "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" 5.17812149 "source-unit" "angstrom" } "b" { "source-value" 5.3414484 "source-unit" "angstrom" } "c" { "source-value" 8.96091138 "source-unit" "angstrom" } }