{ "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" [ [ 0.443969 0.682564 0.486711 ] [ 0.056031 0.182564 0.013289 ] [ 0.556031 0.317436 0.513289 ] [ 0.943969 0.817436 0.986711 ] [ 0.535196 0.486977 0.164458 ] [ 0.964804 0.986977 0.335542 ] [ 0.464804 0.513023 0.835542 ] [ 0.035196 0.013023 0.664458 ] [ 0.493611 0.513615 0.731728 ] [ 0.006389 0.013615 0.768272 ] [ 0.470551 0.485063 0.379603 ] [ 0.029449 0.985063 0.120397 ] [ 0.529449 0.514937 0.620397 ] [ 0.970551 0.014937 0.879603 ] [ 0.506389 0.486385 0.268272 ] [ 0.993611 0.986385 0.231728 ] [ 0.712247 0.730023 0.456041 ] [ 0.863453 0.697722 0.801302 ] [ 0.136547 0.302278 0.198698 ] [ 0.363453 0.802278 0.301302 ] [ 0.938606 0.653086 0.147464 ] [ 0.561394 0.153086 0.352536 ] [ 0.061394 0.346914 0.852536 ] [ 0.438606 0.846914 0.647464 ] [ 0.287753 0.269977 0.543959 ] [ 0.212247 0.769977 0.956041 ] [ 0.180997 0.616517 0.518531 ] [ 0.319003 0.116517 0.981469 ] [ 0.819003 0.383483 0.481469 ] [ 0.680997 0.883483 0.018531 ] [ 0.636547 0.197722 0.698698 ] [ 0.787753 0.230023 0.043959 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.4807723736 "source-unit" "angstrom" } "b" { "source-value" 9.80845137 "source-unit" "angstrom" } "c" { "source-value" 10.6180664123 "source-unit" "angstrom" } "beta" { "source-value" 93.5601844182 "source-unit" "degree" } }