{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5235467 1.0247885 0.1938713 ] [ -1.1231004 -4.1222462 -0.4742999 ] [ -4.1238074 -1.1910786 -0.3475316 ] [ 1.9292856 4.260855 1.6940746 ] [ -0.8736738 0.1789168 -0.7299116 ] [ 2.2190033 1.3332404 0.1205881 ] [ 1.448746 -1.4844759 -0.4567908 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.388142826369914e-10 1.641892175964701e-09 3.10616064304103e-10 ] [ -1.799405203691128e-09 -6.604566486821642e-09 -7.599122110277778e-10 ] [ -6.607067804962033e-09 -1.908318286455195e-09 -5.568070045092174e-10 ] [ 3.091056283166101e-09 6.826642265618784e-09 2.714206718011112e-09 ] [ -1.399779736565495e-09 2.866563140283494e-10 -1.169447300770721e-09 ] [ 3.555235208738048e-09 2.13608659878604e-09 1.932034345666925e-10 ] [ 2.321146970677517e-09 -2.378392581121039e-09 -7.318595403565287e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.900212 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.508800765696361e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1595189 1.3762937 2.4050243 ] [ 1.4647671 2.7014475 3.3662136 ] [ 1.4881176 3.9809003 1.38769 ] [ 3.1707674 4.1117591 4.174103 ] [ 4.8126668 3.073216 2.770073 ] [ 3.5461376 5.0468922 1.9991728 ] [ 3.5376156 2.9740557 0.6586288 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1595189e-10 1.3762937e-10 2.4050243e-10 ] [ 1.4647671e-10 2.7014475e-10 3.3662136e-10 ] [ 1.4881176e-10 3.9809003e-10 1.38769e-10 ] [ 3.1707674e-10 4.111759099999999e-10 4.174103e-10 ] [ 4.8126668e-10 3.073216e-10 2.770073e-10 ] [ 3.5461376e-10 5.046892200000001e-10 1.9991728e-10 ] [ 3.5376156e-10 2.9740557e-10 6.586288e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 -3.3e-06 3.5e-06 ] [ 2.8e-06 4e-07 -4e-07 ] [ 1.4e-06 -4.4e-06 -6.3e-06 ] [ 3.1e-06 -3.7e-06 1.7e-06 ] [ -9.6e-06 6e-07 -9e-07 ] [ 5.8e-06 2.3e-06 -3.2e-06 ] [ -5.6e-06 8.2e-06 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 -5.28718284864e-15 5.6076181728e-15 ] [ 4.48609453824e-15 6.408706483200001e-16 -6.408706483200001e-16 ] [ 2.24304726912e-15 -7.04957713152e-15 -1.009371271104e-14 ] [ 4.96674752448e-15 -5.928053496960001e-15 2.72370025536e-15 ] [ -1.538089555968e-14 9.6130597248e-16 -1.44195895872e-15 ] [ 9.292624400640001e-15 3.68500622784e-15 -5.126965186560001e-15 ] [ -8.972189076479999e-15 1.313784829056e-14 8.972189076479999e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }