{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.715508 0.715508 0 ] [ 0.715508 0.284492 0 ] [ 0.5 0 0.037227 ] [ 0.5 0 0.537227 ] [ 0.284492 0.715508 0 ] [ 0.284492 0.284492 0 ] [ 0.215508 0.215508 0.5 ] [ 0.215508 0.784492 0.5 ] [ 0 0.5 0.462773 ] [ 0 0.5 0.962773 ] [ 0.784492 0.215508 0.5 ] [ 0.784492 0.784492 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.733428 0 0.777214 ] [ 0.5 0.233428 0.277214 ] [ 0.5 0.766572 0.277214 ] [ 0.266572 0 0.777214 ] [ 0.233428 0.5 0.722786 ] [ 0 0.266572 0.222786 ] [ 0 0.733428 0.222786 ] [ 0.766572 0.5 0.722786 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "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" 6.71013511 "source-unit" "angstrom" } "c" { "source-value" 4.73310856 "source-unit" "angstrom" } }