{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8818169 -7.1388848 -9.6913965 ] [ -13.4433218 -10.6904376 3.949032 ] [ 3.677076 6.1595668 6.988306 ] [ -5.1519714 11.2155134 -3.6187708 ] [ 0.5867503 -5.6030712 -1.9543027 ] [ 10.052276 4.5580144 -1.9518722 ] [ 5.1610079 1.4992991 6.2790043 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.412826421006332e-09 -1.143775432514448e-08 -1.552732889520295e-08 ] [ -2.153857589385097e-08 -1.712796918884126e-08 6.327046745191065e-09 ] [ 5.891325200104781e-09 9.868713921215871e-09 1.119650049219637e-08 ] [ -8.254368128110245e-09 1.796923335974912e-08 -5.797909971793712e-09 ] [ 9.400776129073862e-10 -8.9771096813178e-09 -3.131138095906316e-09 ] [ 1.610552159302894e-08 7.30274410894974e-09 -3.127244005629462e-09 ] [ 8.268846197144104e-09 2.402141965606481e-09 1.006007389136267e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1138331 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.299979369789319e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9108361 0.8948539 2.1572708 ] [ 0.7008312 0.7225008 4.3717425 ] [ 2.2502245 2.6530115 4.893167 ] [ 2.398133 3.2846503 2.5173398 ] [ 4.0241287 -0.1366648 2.9854464 ] [ 4.9208728 3.4370489 2.6266411 ] [ 4.5224586 1.7820421 4.4974485 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9108361e-10 8.948539000000001e-11 2.1572708e-10 ] [ 7.008312e-11 7.225008e-11 4.3717425e-10 ] [ 2.2502245e-10 2.6530115e-10 4.893167e-10 ] [ 2.398133e-10 3.2846503e-10 2.5173398e-10 ] [ 4.0241287e-10 -1.366648e-11 2.9854464e-10 ] [ 4.9208728e-10 3.4370489e-10 2.6266411e-10 ] [ 4.5224586e-10 1.7820421e-10 4.4974485e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.4e-06 5.9e-06 -8e-06 ] [ 5.3e-06 -4.1e-06 -5.6e-06 ] [ 5e-07 1.4e-06 4.2e-06 ] [ -1.52e-05 9.9e-06 -8e-07 ] [ -1.1e-06 1.26e-05 8.7e-06 ] [ -4.6e-06 -2.04e-05 -7.3e-06 ] [ 9.7e-06 -5.3e-06 8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.65175375232e-15 9.45284206272e-15 -1.28174129664e-14 ] [ 8.491536090240001e-15 -6.568924145279999e-15 -8.972189076479999e-15 ] [ 8.010883104e-16 2.24304726912e-15 6.72914180736e-15 ] [ -2.435308463616e-14 1.586154854592e-14 -1.28174129664e-15 ] [ -1.76239428288e-15 2.018742542208e-14 1.393893660096e-14 ] [ -7.370012455680001e-15 -3.268440306432e-14 -1.169588933184e-14 ] [ 1.554111322176e-14 -8.491536090240001e-15 1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }