{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.249026 0.25 ] [ 0 0.750974 0.75 ] [ 0.5 0.749026 0.25 ] [ 0.5 0.250974 0.75 ] [ 0 0.094498 0.75 ] [ 0.5 0.856615 0.569428 ] [ 0.5 0.856615 0.930572 ] [ 0.5 0.143385 0.430572 ] [ 0 0.905502 0.25 ] [ 0.5 0.143385 0.069428 ] [ 0.5 0.594498 0.75 ] [ 0 0.356615 0.569428 ] [ 0 0.356615 0.930572 ] [ 0 0.643385 0.430572 ] [ 0.5 0.405502 0.25 ] [ 0 0.643385 0.069428 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.94755209 "source-unit" "angstrom" } "b" { "source-value" 9.71324904 "source-unit" "angstrom" } "c" { "source-value" 7.16903221 "source-unit" "angstrom" } }