{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.127389 1.171603 0.6946463 ] [ 1.009133 1.283908 2.574652 ] [ 0.7652821 2.93985 0.2651139 ] [ 0.0212665 2.421916 2.924129 ] [ 2.909562 0.955426 0.4927479 ] [ 2.967895 0.4293313 2.317144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.127389e-10 1.171603e-10 6.946463000000001e-11 ] [ 1.009133e-10 1.283908e-10 2.574652e-10 ] [ 7.652821e-11 2.93985e-10 2.651139e-11 ] [ 2.12665e-12 2.421916e-10 2.924129e-10 ] [ 2.909562e-10 9.55426e-11 4.927479e-11 ] [ 2.967895e-10 4.293313e-11 2.317144e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.3610833 -14.8512305 -11.666451 ] [ 22.4769392 -37.109284 14.1239372 ] [ -5.6946677 20.1113709 -6.9528674 ] [ -31.8535597 38.1219326 11.450617 ] [ 25.5256183 -1.2734139 -19.0795838 ] [ 4.9067532 -4.9993751 12.124348 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.461116853342132e-08 -2.379429429721189e-08 -1.869171503990878e-08 ] [ 3.601202649338306e-08 -5.945562723942751e-08 2.262904197548742e-08 ] [ -9.123863452164909e-09 3.222196826821745e-08 -1.113972159580248e-08 ] [ -5.103502864059707e-08 6.107806915143336e-08 1.834591085113503e-08 ] [ 4.089654887172464e-08 -2.040233979181749e-09 -3.056886309895443e-08 ] [ 7.861485261075586e-09 -8.009881903829662e-09 1.942534690804324e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.751481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.722577149717541e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9345463 0.9673063 0.2765275 ] [ 0.8794716 0.7235044 2.6535896 ] [ 0.2999801 3.1825301 0.534321 ] [ 0.2470467 2.9487972 2.8104738 ] [ 3.2462291 0.8067801 0.3586823 ] [ 3.1932538 0.5731161 2.6348389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.345463000000001e-11 9.673063e-11 2.765275e-11 ] [ 8.794716e-11 7.235044000000001e-11 2.6535896e-10 ] [ 2.999801e-11 3.1825301e-10 5.343210000000001e-11 ] [ 2.470467e-11 2.9487972e-10 2.8104738e-10 ] [ 3.2462291e-10 8.067801e-11 3.586823e-11 ] [ 3.1932538e-10 5.731161000000001e-11 2.6348389e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.37e-05 -6.06e-05 -2.45e-05 ] [ 8.65e-05 -6.23e-05 -2.21e-05 ] [ -2.46e-05 4.78e-05 1.72e-05 ] [ -5.4e-06 6.7e-05 2e-06 ] [ -6.52e-05 8.1e-06 -7.8e-06 ] [ -5.5e-05 0.0 3.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0205865074496e-13 -9.709190322048001e-14 -3.92533272096e-14 ] [ 1.385882776992e-13 -9.981560347584e-14 -3.540810331968e-14 ] [ -3.941354487168e-14 7.658404247424001e-14 2.755743787776e-14 ] [ -8.65175375232e-15 1.073458335936e-13 3.2043532416e-15 ] [ -1.0446191567616e-13 1.297763062848e-14 -1.249697764224e-14 ] [ -8.8119714144e-14 0.0 5.655683471424e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.588098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.817923941993924e-18 } }