{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0120385 -18.6505652 12.7862843 ] [ -12.4202817 24.9756167 -2.6538766 ] [ -23.98839 -7.3664166 -5.0378757 ] [ -0.3498958 -13.9508872 -29.6525976 ] [ 6.3367863 6.4816426 29.1543985 ] [ 10.2127608 -4.9279717 -0.3891472 ] [ 17.1969818 13.4385814 -4.2071858 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.825817665649501e-09 -2.988149952814607e-08 2.048588577236209e-08 ] [ -1.989948496349008e-08 4.001534916680205e-08 -4.251979043008194e-09 ] [ -3.843363762863251e-08 -1.180230045559302e-08 -8.071566665036434e-09 ] [ -5.605948704761126e-10 -2.235178531125798e-08 -4.750869862071019e-08 ] [ 1.015265086086573e-08 1.038473623810133e-08 4.671049567018659e-08 ] [ 1.63626465875827e-08 -7.89548104570403e-09 -6.234825458897818e-10 ] [ 2.75526021882831e-08 2.153098093579773e-08 -6.740654728121746e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.950032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.074823850901187e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.6974157 2.348213 4.2938579 ] [ 1.9342551 5.3577399 2.9734109 ] [ 0.7224356 4.0018704 1.4612176 ] [ 2.2668017 2.3194049 0.8362288 ] [ 2.1530669 4.0306981 4.9188401 ] [ 4.2250208 2.8621118 2.0463801 ] [ 4.1156418 5.2235648 2.0719546 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.6974157e-10 2.348213e-10 4.2938579e-10 ] [ 1.9342551e-10 5.357739900000001e-10 2.9734109e-10 ] [ 7.224356e-11 4.0018704e-10 1.4612176e-10 ] [ 2.2668017e-10 2.3194049e-10 8.362288e-11 ] [ 2.1530669e-10 4.030698100000001e-10 4.9188401e-10 ] [ 4.225020800000001e-10 2.8621118e-10 2.0463801e-10 ] [ 4.1156418e-10 5.223564800000001e-10 2.0719546e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 3.3e-06 1.58e-05 ] [ -3.8e-06 1.15e-05 -3.5e-06 ] [ -1.36e-05 5.6e-06 -8.9e-06 ] [ 6.8e-06 -2.3e-06 5.7e-06 ] [ 4e-06 -9.6e-06 -1.6e-06 ] [ -1.9e-06 2e-07 -1.68e-05 ] [ 2.1e-06 -8.7e-06 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 5.28718284864e-15 2.531439060864e-14 ] [ -6.08827115904e-15 1.84250311392e-14 -5.6076181728e-15 ] [ -2.178960204288e-14 8.972189076479999e-15 -1.425937192512e-14 ] [ 1.089480102144e-14 -3.68500622784e-15 9.13240673856e-15 ] [ 6.4087064832e-15 -1.538089555968e-14 -2.56348259328e-15 ] [ -3.04413557952e-15 3.2043532416e-16 -2.691656722944e-14 ] [ 3.36457090368e-15 -1.393893660096e-14 1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }