{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -59.2199412 -6.6131303 56.7464986 ] [ -56.2776323 55.3159434 50.6921165 ] [ 168.7242949 89.8143499 -142.4264286 ] [ 21.5230041 -205.2644673 -124.8008592 ] [ 69.6840301 89.4977141 59.4110318 ] [ -188.3410149 8.8456712 -163.5928487 ] [ 43.9072593 -31.596081 263.9704897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.488080527579071e-08 -1.059540275696409e-08 9.091791336917994e-08 ] [ -9.016670674503894e-08 8.862591127297606e-08 8.121772391516993e-08 ] [ 2.703261206497446e-07 1.438984516221308e-07 -2.281922940869605e-07 ] [ 3.448365397840255e-08 -3.288699305890261e-07 -1.999530188659926e-07 ] [ 1.116461238693435e-07 1.433911451460625e-07 9.518696616756535e-08 ] [ -3.017555708105245e-07 1.417232759192388e-08 -2.621046375172116e-07 ] [ 7.034718433386338e-08 -5.062250228710309e-08 4.229273471784672e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 91.992406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.473880821843417e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.315246 2.1814242 3.887945 ] [ 1.1138269 4.9788821 3.1682042 ] [ 2.8211713 3.5208885 0.994534 ] [ 4.8896132 1.8873603 2.1772635 ] [ 4.7911555 2.4939853 5.1811047 ] [ 5.3382582 4.8080177 1.1478158 ] [ 6.504648 4.1880898 3.6665479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.315246e-10 2.1814242e-10 3.887945e-10 ] [ 1.1138269e-10 4.9788821e-10 3.1682042e-10 ] [ 2.8211713e-10 3.5208885e-10 9.94534e-11 ] [ 4.8896132e-10 1.8873603e-10 2.1772635e-10 ] [ 4.7911555e-10 2.4939853e-10 5.1811047e-10 ] [ 5.3382582e-10 4.8080177e-10 1.1478158e-10 ] [ 6.504648e-10 4.1880898e-10 3.6665479e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 -1.46e-05 4.4e-06 ] [ 4.3e-06 9.7e-06 -4.2e-05 ] [ 9.3e-06 1.59e-05 3.73e-05 ] [ -1.8e-05 -6.6e-06 -2.05e-05 ] [ 1.74e-05 -4.1e-06 8.9e-06 ] [ -6.9e-06 -1.38e-05 3.67e-05 ] [ -1.65e-05 1.34e-05 -2.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.68228545184e-14 -2.339177866368e-14 7.04957713152e-15 ] [ 6.889359469440001e-15 1.554111322176e-14 -6.72914180736e-14 ] [ 1.490024257344e-14 2.547460827072e-14 5.976118795584e-14 ] [ -2.88391791744e-14 -1.057436569728e-14 -3.28446207264e-14 ] [ 2.787787320192e-14 -6.568924145279999e-15 1.425937192512e-14 ] [ -1.105501868352e-14 -2.211003736704e-14 5.879988198335999e-14 ] [ -2.64359142432e-14 2.146916671872e-14 -3.957376253376001e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.701935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.836162639992125e-18 } }