{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.641579 0.612118 0.475747 ] [ 0.288604 0.833227 0.120249 ] [ 0.711396 0.333227 0.379751 ] [ 0.358421 0.112118 0.024253 ] [ 0.641579 0.887882 0.975747 ] [ 0.288604 0.666773 0.620249 ] [ 0.711396 0.166773 0.879751 ] [ 0.358421 0.387882 0.524253 ] [ 0.850204 0.973353 0.640188 ] [ 0.149796 0.473353 0.859812 ] [ 0.850204 0.526647 0.140188 ] [ 0.149796 0.026647 0.359812 ] [ 0.097307 0.235897 0.294739 ] [ 0.703677 0.228943 0.61495 ] [ 0 0 0 ] [ 0.312864 0.485793 0.23844 ] [ 0.687136 0.985793 0.26156 ] [ 0.902693 0.735897 0.205261 ] [ 0.703677 0.271057 0.11495 ] [ 0 0.5 0.5 ] [ 0.296323 0.728943 0.88505 ] [ 0.097307 0.264103 0.794739 ] [ 0.312864 0.014207 0.73844 ] [ 0.687136 0.514207 0.76156 ] [ 0.296323 0.771057 0.38505 ] [ 0.902693 0.764103 0.705261 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.17140847 "source-unit" "angstrom" } "b" { "source-value" 12.55870218 "source-unit" "angstrom" } "c" { "source-value" 8.83545825 "source-unit" "angstrom" } "beta" { "source-value" 123.57738492 "source-unit" "degree" } }