{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.003596 -0.1091743 2.5170285 ] [ -2.0087643 -3.3215037 1.0752487 ] [ -2.1733906 0.9405165 -2.1327088 ] [ 2.546932 1.8164179 -1.4145251 ] [ 0.9782623 -7.7367552 3.1543281 ] [ -2.6708722 7.6915261 -2.4471534 ] [ 3.3242368 0.7189727 -0.7522179 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.761427175863999e-12 -1.749165124933062e-10 4.032724249812068e-09 ] [ -3.218395224673366e-09 -5.321635617884545e-09 1.722738342878875e-09 ] [ -3.48215563587524e-09 1.506873560191461e-09 -3.416976206486179e-09 ] [ 4.080634938786887e-09 2.910222316959348e-09 -2.266319063426513e-09 ] [ 1.567348998983098e-09 -1.2395648404418e-08 5.053790777789615e-09 ] [ -4.279209031240174e-09 1.232318339722115e-08 -3.920771997293655e-09 ] [ 5.32601452684293e-09 1.151921260423892e-09 -1.205185943056548e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.779145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.329186059349793e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6519345 1.3700605 1.8377889 ] [ 1.8131941 2.4047275 4.0132696 ] [ 0.9302678 3.1815831 1.7049567 ] [ 4.7293379 2.6316846 1.5559915 ] [ 4.1374242 1.660189 3.8390992 ] [ 3.075039 4.1131345 2.6990707 ] [ 5.3683105 3.8377378 3.7579244 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6519345e-10 1.3700605e-10 1.8377889e-10 ] [ 1.8131941e-10 2.4047275e-10 4.0132696e-10 ] [ 9.302678e-11 3.1815831e-10 1.7049567e-10 ] [ 4.7293379e-10 2.6316846e-10 1.5559915e-10 ] [ 4.1374242e-10 1.660189e-10 3.8390992e-10 ] [ 3.075039e-10 4.1131345e-10 2.6990707e-10 ] [ 5.3683105e-10 3.8377378e-10 3.7579244e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.05e-05 -5.4e-06 -8.7e-06 ] [ 1e-06 -5.4e-06 2.2e-06 ] [ -9.5e-06 -3.6e-06 1e-07 ] [ 4.5e-06 -1.06e-05 -1.03e-05 ] [ 1.3e-06 -2.42e-05 9.2e-06 ] [ 1.12e-05 2.65e-05 -3.4e-06 ] [ 2e-06 2.27e-05 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6822854657e-14 -8.6517538236e-15 -1.39389367158e-14 ] [ 1.602176634e-15 -8.6517538236e-15 3.5247885948e-15 ] [ -1.5220678023e-14 -5.767835882399999e-15 1.602176634e-16 ] [ 7.209794853e-15 -1.69830723204e-14 -1.65024193302e-14 ] [ 2.0828296242e-15 -3.877267454279999e-14 1.47400250328e-14 ] [ 1.79443783008e-14 4.2457680801e-14 -5.4474005556e-15 ] [ 3.204353268e-15 3.636940959179999e-14 1.74637253106e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.75494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.966178644407196e-18 } }