{ "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 0.302418 ] [ 0.5 0 0.178345 ] [ 0 0.5 0.678345 ] [ 0.5 0.5 0.802418 ] [ 0 0 0.891282 ] [ 0.5 0.5 0.391282 ] [ 0.5 0 0.586391 ] [ 0 0.5 0.086391 ] [ 0.742918 0.853433 0.743835 ] [ 0.702555 0.825252 0.416633 ] [ 0.801056 0.820698 0.075045 ] [ 0.301056 0.679302 0.575045 ] [ 0.202555 0.674748 0.916633 ] [ 0.242918 0.646567 0.243835 ] [ 0.757082 0.353433 0.243835 ] [ 0.797445 0.325252 0.916633 ] [ 0.698944 0.320698 0.575045 ] [ 0.198944 0.179302 0.075045 ] [ 0.297445 0.174748 0.416633 ] [ 0.257082 0.146567 0.743835 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "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" 4.99111855 "source-unit" "angstrom" } "b" { "source-value" 5.13887666 "source-unit" "angstrom" } "c" { "source-value" 8.49621248 "source-unit" "angstrom" } }