{ "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" [ [ 0.0562169 0.1968178 1.270009 ] [ 0.319021 0.1442605 2.935142 ] [ 0.1524012 2.469722 2.823059 ] [ 2.088827 0.2993275 0.454611 ] [ 2.473305 0.2789971 2.995912 ] [ 2.138376 2.393894 2.931206 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.62169e-12 1.968178e-11 1.270009e-10 ] [ 3.19021e-11 1.442605e-11 2.935142e-10 ] [ 1.524012e-11 2.469722e-10 2.823059e-10 ] [ 2.088827e-10 2.993275e-11 4.54611e-11 ] [ 2.473305e-10 2.789971e-11 2.995912e-10 ] [ 2.138376e-10 2.393894e-10 2.931206e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3488842 -0.2854591 -14.6131395 ] [ -1.0939032 -2.4202519 14.2919617 ] [ -3.9786303 1.2130265 0.1295735 ] [ 1.5228076 -0.0012075 0.1256675 ] [ 3.0321479 -1.4240958 -0.2568561 ] [ 4.8664621 2.9179879 0.3227929 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.96768059180651e-09 -4.573558962146093e-10 -2.3412830463389e-08 ] [ -1.752626132458306e-09 -3.87767101062678e-09 2.289824690110902e-08 ] [ -6.37446844946649e-09 1.943482698710851e-09 2.075996323752288e-10 ] [ 2.439806734696558e-09 -1.934628269616e-12 2.01341530494384e-10 ] [ 4.858036476187816e-09 -2.281652996539473e-09 -4.115288383298668e-10 ] [ 7.796931802629271e-09 4.675131993157288e-09 5.171712377402323e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8731764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.101204253871431e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.073335 0.5644291 0.97555 ] [ 0.3715756 -0.030289 3.3181716 ] [ 0.0144437 2.3047532 2.6403055 ] [ 2.1065215 0.0464994 0.6233392 ] [ 2.575462 0.3338851 2.8212545 ] [ 2.2334792 2.5637411 3.0313181 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.3335e-12 5.644291e-11 9.7555e-11 ] [ 3.715756e-11 -3.0289e-12 3.3181716e-10 ] [ 1.44437e-12 2.3047532e-10 2.6403055e-10 ] [ 2.1065215e-10 4.649940000000001e-12 6.233392e-11 ] [ 2.575462e-10 3.338851e-11 2.8212545e-10 ] [ 2.2334792e-10 2.5637411e-10 3.0313181e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 2.53e-05 -1.13e-05 ] [ 3.55e-05 -3.59e-05 2.5e-06 ] [ -1.52e-05 4.21e-05 -1.6e-05 ] [ -2.58e-05 -3.08e-05 -4.9e-06 ] [ 2.13e-05 -1e-07 1.67e-05 ] [ -2.1e-05 -6e-07 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.33131842816e-15 4.053506850624e-14 -1.810459581504e-14 ] [ 5.68772700384e-14 -5.751814068672e-14 4.005441552e-15 ] [ -2.435308463616e-14 6.745163573568001e-14 -2.56348259328e-14 ] [ -4.133615681664e-14 -4.934703992064001e-14 -7.850665441919999e-15 ] [ 3.412636202304e-14 -1.6021766208e-16 2.675634956736e-14 ] [ -3.36457090368e-14 -9.6130597248e-16 2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.421688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.829956148367191e-18 } }