{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0.30016 0.107907 0.031752 ] [ 0.085076 0.085076 0.535251 ] [ 0.607907 0.19984 0.531752 ] [ 0.107907 0.30016 0.031752 ] [ 0.585076 0.414924 0.035251 ] [ 0.80016 0.392093 0.531752 ] [ 0.19984 0.607907 0.531752 ] [ 0.414924 0.585076 0.035251 ] [ 0.892093 0.69984 0.031752 ] [ 0.392093 0.80016 0.531752 ] [ 0.914924 0.914924 0.535251 ] [ 0.69984 0.892093 0.031752 ] [ 0.847102 0.152898 0.048147 ] [ 0.347102 0.347102 0.548147 ] [ 0.652898 0.652898 0.548147 ] [ 0.152898 0.847102 0.048147 ] [ 0 0 0.035221 ] [ 0.755478 0.053187 0.530117 ] [ 0.446813 0.255478 0.030117 ] [ 0.218311 0.218311 0.531779 ] [ 0.718311 0.281689 0.031779 ] [ 0.946813 0.244522 0.530117 ] [ 0.255478 0.446813 0.030117 ] [ 0.5 0.5 0.535221 ] [ 0.744522 0.553187 0.030117 ] [ 0.053187 0.755478 0.530117 ] [ 0.281689 0.718311 0.031779 ] [ 0.781689 0.781689 0.531779 ] [ 0.553187 0.744522 0.030117 ] [ 0.244522 0.946813 0.530117 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "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" 10.08878439 "source-unit" "angstrom" } "c" { "source-value" 2.96324059 "source-unit" "angstrom" } }