{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9329984 -16.1505183 -7.5025647 ] [ 0.1735394 0.1364554 -0.1635962 ] [ -7.5483251 0.0868988 -6.417646 ] [ -6.2102936 -2.6812642 15.1504501 ] [ -1.0348997 19.6980503 -1.3692599 ] [ 4.1644874 4.0375031 -6.0963315 ] [ 12.3884901 -5.1271252 6.3989482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.097004844523807e-09 -2.587598283406256e-08 -1.202043375837937e-08 ] [ 2.780407694676596e-10 2.186256516619124e-10 -2.62110006891721e-10 ] [ -1.209375000141782e-08 1.392272257355751e-10 -1.028220238177064e-08 ] [ -9.949987214223868e-09 -4.295858815428016e-09 2.427369694481702e-08 ] [ -1.658092104212934e-09 3.155975566600242e-08 -2.193796199578946e-09 ] [ 6.672244349896178e-09 6.468793073227525e-09 -9.767399801946597e-09 ] [ 1.984854920523226e-08 -8.214560127354524e-09 1.025224520375024e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1131973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.299877503399768e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5141041 0.6307963 2.414888 ] [ 3.0331627 2.4453418 0.6165442 ] [ 0.9855296 2.7046386 2.2090435 ] [ 2.9106082 2.8278944 5.3807768 ] [ 2.2441861 4.2341144 3.5583757 ] [ 4.2645545 3.5274744 2.3741486 ] [ 4.2168078 1.557873 3.8239769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5141041e-10 6.307963e-11 2.414888e-10 ] [ 3.0331627e-10 2.4453418e-10 6.165442000000001e-11 ] [ 9.855296e-11 2.7046386e-10 2.2090435e-10 ] [ 2.9106082e-10 2.8278944e-10 5.3807768e-10 ] [ 2.2441861e-10 4.2341144e-10 3.5583757e-10 ] [ 4.2645545e-10 3.5274744e-10 2.3741486e-10 ] [ 4.2168078e-10 1.557873e-10 3.8239769e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.66e-05 2.16e-05 -1.09e-05 ] [ -2.29e-05 1.05e-05 1.28e-05 ] [ -2.48e-05 -8.6e-06 7.1e-06 ] [ -1.88e-05 -3.84e-05 4.61e-05 ] [ 8.4e-06 9.9e-06 -3.29e-05 ] [ 4.25e-05 -1.13e-05 -4.88e-05 ] [ -1.09e-05 1.64e-05 2.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.261789811328e-14 3.460701500928e-14 -1.746372516672e-14 ] [ -3.668984461632e-14 1.68228545184e-14 2.050786074624e-14 ] [ -3.973398019584e-14 -1.377871893888e-14 1.137545400768e-14 ] [ -3.012092047104e-14 -6.152358223872e-14 7.386034221888001e-14 ] [ 1.345828361472e-14 1.586154854592e-14 -5.271161082432e-14 ] [ 6.8092506384e-14 -1.810459581504e-14 -7.818621909504e-14 ] [ -1.746372516672e-14 2.627569658112e-14 4.277811577536e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }