{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6749117 1.1937074 -4.159046 ] [ -2.0474037 0.6469164 1.9510517 ] [ 3.271524 -6.3031959 -1.0011816 ] [ -0.3047697 -1.4866744 1.1079899 ] [ 4.7555612 5.9492466 2.101186 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.092210850844384e-09 1.912530088355954e-09 -6.663526266031758e-09 ] [ -3.280302341479417e-09 1.036474331692101e-09 3.125929419712095e-09 ] [ 5.241559267186099e-09 -1.009883310730242e-08 -1.604069752695137e-09 ] [ -4.882948880682297e-10 -2.381914966421867e-09 1.77519551386253e-09 ] [ 7.619248973423594e-09 9.53174381389389e-09 3.366471085152269e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.3555355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.338704363236444e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4412545 1.6366088 0.0015972 ] [ 0.5702346 2.5480337 2.322657 ] [ 2.6773934 0.7003813 0.5997647 ] [ 1.4995237 0.2719885 2.7593371 ] [ 2.9306719 2.9640308 1.6227022 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.412545e-11 1.6366088e-10 1.5972e-13 ] [ 5.702346000000001e-11 2.5480337e-10 2.322657e-10 ] [ 2.6773934e-10 7.003813e-11 5.997647e-11 ] [ 1.4995237e-10 2.719885e-11 2.7593371e-10 ] [ 2.9306719e-10 2.964030800000001e-10 1.6227022e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.6e-06 -9e-07 -1.8e-06 ] [ -5.4e-06 7.1e-06 4.1e-06 ] [ 1.26e-05 -7e-07 -1.3e-06 ] [ -5.3e-06 -9.6e-06 2.7e-06 ] [ 6.7e-06 4.1e-06 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.377871893888e-14 -1.44195895872e-15 -2.88391791744e-15 ] [ -8.65175375232e-15 1.137545400768e-14 6.568924145279999e-15 ] [ 2.018742542208e-14 -1.12152363456e-15 -2.08282960704e-15 ] [ -8.491536090240001e-15 -1.538089555968e-14 4.32587687616e-15 ] [ 1.073458335936e-14 6.568924145279999e-15 -5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.731874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.719435762017138e-18 } }