{ "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" [ [ 1.718051 2.8648 0.868268 ] [ 1.578738 2.123399 2.800363 ] [ 1.502934 5.103369 1.611601 ] [ 2.373634 3.880614 3.837999 ] [ 3.381701 1.593797 3.943141 ] [ 3.548939 3.24359 2.048233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.718051e-10 2.8648e-10 8.682680000000001e-11 ] [ 1.578738e-10 2.123399e-10 2.800363e-10 ] [ 1.502934e-10 5.103369e-10 1.611601e-10 ] [ 2.373634e-10 3.880614e-10 3.837999e-10 ] [ 3.381701e-10 1.593797e-10 3.943141e-10 ] [ 3.548939e-10 3.24359e-10 2.048233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.368798 1.4716241 -6.5738114 ] [ -39.5256327 -23.5889888 12.204448 ] [ -0.8756001 3.0935925 0.5515379 ] [ -4.3791212 14.3132255 9.7953858 ] [ 9.3153527 -10.9270634 7.2749029 ] [ 30.0962033 15.6376101 -23.2524633 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.601762637397799e-09 2.357801727625842e-09 -1.053240693462852e-08 ] [ -6.332704463426798e-08 -3.779372636367305e-08 1.955368125536932e-08 ] [ -1.402866009390142e-09 4.956481577782224e-09 8.836611288651284e-10 ] [ -7.016125606289642e-09 2.293231526433839e-08 1.569393812047631e-08 ] [ 1.492484031044616e-08 -1.750708551347936e-08 1.165567934497012e-08 ] [ 4.821943330210381e-08 2.505421330740595e-08 -3.725455307527002e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7264312 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.077693081005969e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8567343 2.9465279 0.816342 ] [ 1.0650412 1.8661103 2.9833116 ] [ 1.2194937 5.2160119 1.7259258 ] [ 2.3586157 4.0963745 3.7305282 ] [ 3.4758752 1.5453333 3.9000717 ] [ 4.1282369 3.1392112 1.9534258 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8567343e-10 2.9465279e-10 8.16342e-11 ] [ 1.0650412e-10 1.8661103e-10 2.9833116e-10 ] [ 1.2194937e-10 5.2160119e-10 1.7259258e-10 ] [ 2.3586157e-10 4.0963745e-10 3.7305282e-10 ] [ 3.4758752e-10 1.5453333e-10 3.9000717e-10 ] [ 4.1282369e-10 3.1392112e-10 1.9534258e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.48e-05 3.8e-06 9.1e-06 ] [ 5.3e-05 4.95e-05 -7.72e-05 ] [ -3.77e-05 -1.94e-05 -6e-07 ] [ 4.37e-05 -3.39e-05 2.13e-05 ] [ -1.13e-05 5.13e-05 1.57e-05 ] [ -2.8e-06 -5.13e-05 3.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.177751261183999e-14 6.08827115904e-15 1.457980724928e-14 ] [ 8.49153609024e-14 7.930774272959999e-14 -1.2368803512576e-13 ] [ -6.040205860416e-14 -3.108222644352e-14 -9.6130597248e-16 ] [ 7.001511832895999e-14 -5.431378744512e-14 3.412636202304e-14 ] [ -1.810459581504e-14 8.219166064704e-14 2.515417294656e-14 ] [ -4.48609453824e-15 -8.219166064704e-14 5.078899887936e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.662297 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.150247256462598e-18 } }