{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8249177 0.9482115 -0.0151196 ] [ -2.5428275 2.477142 0.3552818 ] [ 0.0287655 -0.765921 -0.749889 ] [ 1.0289847 -2.0807432 -0.2682902 ] [ 0.6601596 -0.5786893 0.678017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.321663853024108e-09 1.519202296873699e-09 -2.422426963584768e-11 ] [ -4.074058771227312e-09 3.968818998801754e-09 5.692241937557414e-10 ] [ 4.60874115856224e-11 -1.227140719579757e-09 -1.201454623995091e-09 ] [ 1.648615229500902e-09 -3.333718108928579e-09 -4.298482860297561e-10 ] [ 1.05769227711668e-09 -9.271624671671174e-10 1.086302985904954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1157667754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.196361925025545e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5975901 1.9161391 2.2279275 ] [ 2.8555073 4.1695614 1.1370726 ] [ 2.6181931 3.9102291 3.4486583 ] [ 4.1470043 2.3194111 0.5239086 ] [ 4.6947012 3.2587573 2.5938484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5975901e-10 1.9161391e-10 2.2279275e-10 ] [ 2.8555073e-10 4.1695614e-10 1.1370726e-10 ] [ 2.6181931e-10 3.9102291e-10 3.4486583e-10 ] [ 4.1470043e-10 2.3194111e-10 5.239086e-11 ] [ 4.694701200000001e-10 3.2587573e-10 2.5938484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 8.1e-06 9.5e-06 ] [ -6.6e-06 7.2e-06 7e-06 ] [ 5.6e-06 -8.4e-06 -9.8e-06 ] [ 9.7e-06 -1.02e-05 -1.41e-05 ] [ -5.5e-06 3.3e-06 7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.126965186560001e-15 1.297763062848e-14 1.52206778976e-14 ] [ -1.057436569728e-14 1.153567166976e-14 1.12152363456e-14 ] [ 8.972189076479999e-15 -1.345828361472e-14 -1.570133088384e-14 ] [ 1.554111322176e-14 -1.634220153216e-14 -2.259069035328e-14 ] [ -8.8119714144e-15 5.28718284864e-15 1.2016324656e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }