{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.987137 -8.7682976 -21.1724411 ] [ -7.3079545 14.9095539 -4.2581747 ] [ -2.5469429 -0.9957145 9.74826 ] [ 6.2587166 -9.0407601 11.9402914 ] [ 8.1050688 -2.5309878 -8.621505 ] [ 4.4782489 6.4262062 12.3635694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.439898078932665e-08 -1.404836141893675e-08 -3.392199013568504e-08 ] [ -1.170863384577015e-08 2.388773868513746e-08 -6.822347951622053e-09 ] [ -4.080652368892552e-09 -1.595310492891561e-09 1.561843426547981e-08 ] [ 1.002756941273286e-08 -1.448489446648147e-08 1.91304557266193e-08 ] [ 1.298575174133551e-08 -4.055089480690026e-09 -1.381317374711031e-08 ] [ 7.174945689703317e-09 1.029591733408001e-08 1.980862184231828e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0671647 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.292502267848305e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8811227 1.22574 -0.2229208 ] [ 0.0371644 2.9887134 1.1143742 ] [ 0.3409036 1.9508046 3.262747 ] [ 1.6701274 0.3916746 1.9592882 ] [ 3.204046 1.4499472 0.3591276 ] [ 2.2950247 2.8789023 2.0993856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.811227000000001e-11 1.22574e-10 -2.229208e-11 ] [ 3.71644e-12 2.9887134e-10 1.1143742e-10 ] [ 3.409036e-11 1.9508046e-10 3.262747e-10 ] [ 1.6701274e-10 3.916746e-11 1.9592882e-10 ] [ 3.204046e-10 1.4499472e-10 3.591276e-11 ] [ 2.2950247e-10 2.8789023e-10 2.0993856e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-06 -1.07e-05 -2.9e-06 ] [ 5.4e-06 1.12e-05 8.5e-06 ] [ 2.9e-06 7.4e-06 2e-07 ] [ -1e-07 -3.88e-05 -1.24e-05 ] [ -7.4e-06 -5e-06 -2e-07 ] [ -9e-06 3.6e-05 6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.313784829056e-14 -1.714328984256e-14 -4.646312200320001e-15 ] [ 8.65175375232e-15 1.794437815296e-14 1.36185012768e-14 ] [ 4.646312200320001e-15 1.185610699392e-14 3.2043532416e-16 ] [ -1.6021766208e-16 -6.216445288704e-14 -1.986699009792e-14 ] [ -1.185610699392e-14 -8.010883104e-15 -3.2043532416e-16 ] [ -1.44195895872e-14 5.76783583488e-14 1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.237465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.921964004565827e-18 } }