{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2523401 0.7403939 0.387747 ] [ 0.1703762 0.2006238 -0.9975051 ] [ -4.5402325 -0.7301312 1.5757131 ] [ 0.1686372 -2.0447477 0.0462989 ] [ 0.1183025 0.5957717 0.2126701 ] [ 3.8329246 1.5431691 -1.0801084 ] [ -0.0023482 -0.3050796 -0.1448155 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.042934087103341e-10 1.186241796762933e-09 6.212391781853377e-10 ] [ 2.72972764380745e-10 3.21434761936055e-10 -1.598179350348766e-09 ] [ -7.274254364496336e-09 -1.169799138756649e-09 2.524570689908293e-09 ] [ 2.701865792371738e-10 -3.276046960374572e-09 7.417901514875711e-11 ] [ 1.89541499682192e-10 9.545314890742714e-10 3.407350621631981e-10 ] [ 6.141022183409192e-09 2.472429453960977e-09 -1.730524426409695e-09 ] [ -3.76223114096256e-12 -4.887914026030156e-10 -2.320200084294624e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.971432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.039558481349699e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4581351 1.1236484 1.5546102 ] [ 1.333906 2.198489 3.7370884 ] [ 1.266637 3.4880317 1.671541 ] [ 3.7936373 1.3047393 1.7607936 ] [ 3.5109253 1.1644694 4.0910891 ] [ 3.6024818 3.6648933 1.8775052 ] [ 3.3194295 3.5288497 4.2080096 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4581351e-10 1.1236484e-10 1.5546102e-10 ] [ 1.333906e-10 2.198489e-10 3.7370884e-10 ] [ 1.266637e-10 3.4880317e-10 1.671541e-10 ] [ 3.7936373e-10 1.3047393e-10 1.7607936e-10 ] [ 3.5109253e-10 1.1644694e-10 4.091089099999999e-10 ] [ 3.6024818e-10 3.6648933e-10 1.8775052e-10 ] [ 3.3194295e-10 3.5288497e-10 4.2080096e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 -5.5e-06 -7e-07 ] [ -8.8e-06 7.7e-06 2.7e-06 ] [ -1e-07 -1.02e-05 -4.1e-06 ] [ -5.7e-06 1.29e-05 7e-07 ] [ 8.5e-06 -2.77e-05 -1.69e-05 ] [ 9e-06 -1.27e-05 1.22e-05 ] [ 3e-07 3.55e-05 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 -8.8119714144e-15 -1.12152363456e-15 ] [ -1.409915426304e-14 1.233675998016e-14 4.32587687616e-15 ] [ -1.6021766208e-16 -1.634220153216e-14 -6.568924145279999e-15 ] [ -9.13240673856e-15 2.066807840832e-14 1.12152363456e-15 ] [ 1.36185012768e-14 -4.438029239616e-14 -2.707678489152e-14 ] [ 1.44195895872e-14 -2.034764308416e-14 1.954655477376e-14 ] [ 4.8065298624e-16 5.68772700384e-14 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }