{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3419769 -2.3426815 0.370009 ] [ 0.2830458 3.1872632 -0.6286048 ] [ 0.2744135 0.0514041 -0.6158242 ] [ -2.6924266 -2.1195957 0.9713351 ] [ 2.8982631 -1.3666072 -1.6939092 ] [ 1.7647493 0.9844057 -2.1977995 ] [ -0.1860683 1.6058115 3.7947937 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.75226063563366e-09 -3.753389529280675e-09 5.928197692855872e-10 ] [ 4.534893633756327e-10 5.106558583376195e-09 -1.00713591428266e-09 ] [ 4.396588941319007e-10 8.235844723326528e-11 -9.866591357628636e-10 ] [ -4.313742951740034e-09 -3.395966676088211e-09 1.55625038818243e-09 ] [ 4.643529379747332e-09 -2.18954610565695e-09 -2.713941717998031e-09 ] [ 2.827440070033166e-09 1.577191797922259e-09 -3.52126297610593e-09 ] [ -2.981142801320006e-10 2.572793642711779e-09 6.079929746899129e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.267668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.72789136901363e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8369677 1.0198238 4.0156794 ] [ 2.063134 5.496394 1.953964 ] [ 2.855569 3.2101211 1.0285798 ] [ 1.3434926 3.3023385 3.0143199 ] [ 3.8598504 1.8634448 2.8075062 ] [ 4.049716 4.3603647 2.9670594 ] [ 3.0375973 3.1607501 4.8440861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8369677e-10 1.0198238e-10 4.0156794e-10 ] [ 2.063134e-10 5.496394e-10 1.953964e-10 ] [ 2.855569e-10 3.2101211e-10 1.0285798e-10 ] [ 1.3434926e-10 3.3023385e-10 3.0143199e-10 ] [ 3.8598504e-10 1.8634448e-10 2.8075062e-10 ] [ 4.049716e-10 4.3603647e-10 2.9670594e-10 ] [ 3.0375973e-10 3.1607501e-10 4.8440861e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.36e-05 3.12e-05 -6.13e-05 ] [ 3.59e-05 -2.38e-05 6.33e-05 ] [ -7.5e-06 -1.72e-05 -5e-07 ] [ 7.38e-05 4e-05 5.67e-05 ] [ 8.7e-06 -6.2e-06 9.31e-05 ] [ -8.88e-05 -1.16e-05 -8.05e-05 ] [ -5.56e-05 -1.24e-05 -7.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.383313445888e-14 4.998791056896e-14 -9.821342685504e-14 ] [ 5.751814068672e-14 -3.813180357504e-14 1.0141778009664e-13 ] [ -1.2016324656e-14 -2.755743787776e-14 -8.010883104e-16 ] [ 1.1824063461504e-13 6.4087064832e-14 9.084341439936e-14 ] [ 1.393893660096e-14 -9.93349504896e-15 1.4916264339648e-13 ] [ -1.4227328392704e-13 -1.858524880128e-14 -1.289752179744e-13 ] [ -8.908102011648e-14 -1.986699009792e-14 -1.1343410475264e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.75494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.966178611730676e-18 } }