{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.197326 0.996624 0.583956 ] [ 0.302674 0.996624 0.083956 ] [ 0.302674 0.503376 0.083956 ] [ 0.197326 0.503376 0.583956 ] [ 0.697326 0.496624 0.916044 ] [ 0.802674 0.496624 0.416044 ] [ 0.802674 0.003376 0.416044 ] [ 0.697326 0.003376 0.916044 ] [ 0.188394 0.25 0.821776 ] [ 0.311606 0.25 0.321776 ] [ 0.688394 0.75 0.678224 ] [ 0.811606 0.75 0.178224 ] [ 0.682444 0.25 0.664227 ] [ 0.817556 0.25 0.164227 ] [ 0.317556 0.75 0.335773 ] [ 0.182444 0.75 0.835773 ] [ 0.780406 0.037062 0.597358 ] [ 0.719594 0.037062 0.097358 ] [ 0.373701 0.25 0.666876 ] [ 0.707258 0.25 0.295913 ] [ 0.126299 0.25 0.166876 ] [ 0.792742 0.25 0.795913 ] [ 0.719594 0.462938 0.097358 ] [ 0.780406 0.462938 0.597358 ] [ 0.219594 0.537062 0.402642 ] [ 0.280406 0.537062 0.902642 ] [ 0.626299 0.75 0.333124 ] [ 0.873701 0.75 0.833124 ] [ 0.292742 0.75 0.704087 ] [ 0.207258 0.75 0.204087 ] [ 0.219594 0.962938 0.402642 ] [ 0.280406 0.962938 0.902642 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "O" "O" "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" 4.81521527 "source-unit" "angstrom" } "b" { "source-value" 5.82714844 "source-unit" "angstrom" } "c" { "source-value" 10.78449099 "source-unit" "angstrom" } }