{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.915912 1.360436 2.810198 ] [ 1.265862 2.897087 3.881297 ] [ 2.470833 3.120785 1.738737 ] [ 4.740838 1.736953 1.131717 ] [ 4.024671 3.068015 3.686077 ] [ 4.392743 4.331921 1.580851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.915912e-10 1.360436e-10 2.810198e-10 ] [ 1.265862e-10 2.897087e-10 3.881297e-10 ] [ 2.470833e-10 3.120785e-10 1.738737e-10 ] [ 4.740838000000001e-10 1.736953e-10 1.131717e-10 ] [ 4.024671e-10 3.068015e-10 3.686077e-10 ] [ 4.392743000000001e-10 4.331921e-10 1.580851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6747451 -3.3781858 1.0292487 ] [ 2.0252712 -0.1876982 -0.7474265 ] [ -1.4467241 1.9884506 -1.860926 ] [ -1.497802 1.5654245 0.4064247 ] [ -0.7647659 1.6426556 0.5767349 ] [ 1.0092757 -1.6306468 0.5959442 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.081060824219358e-09 -5.412450309478545e-09 1.649038204128793e-09 ] [ 3.244842167419561e-09 -3.007256678062426e-10 -1.197509264066371e-09 ] [ -2.317907529767921e-09 3.185849062935732e-09 -2.981532130238861e-09 ] [ -2.399743346987482e-09 2.50808653552753e-09 6.511641524556538e-10 ] [ -1.225290045365071e-09 2.631824398346197e-09 9.24031173179426e-10 ] [ 1.617037930481555e-09 -2.612584179742333e-09 9.548078645413594e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.323835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.576672652359677e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0694694 1.2238353 2.9185105 ] [ 1.4985666 2.781542 3.7731269 ] [ 2.4615929 3.1722631 1.6376518 ] [ 4.3758718 1.8993128 1.0927991 ] [ 3.7848787 3.2961384 3.7081729 ] [ 4.6204797 4.1421055 1.6986158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0694694e-10 1.2238353e-10 2.9185105e-10 ] [ 1.4985666e-10 2.781542e-10 3.7731269e-10 ] [ 2.4615929e-10 3.1722631e-10 1.6376518e-10 ] [ 4.3758718e-10 1.8993128e-10 1.0927991e-10 ] [ 3.7848787e-10 3.2961384e-10 3.7081729e-10 ] [ 4.6204797e-10 4.142105500000001e-10 1.6986158e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.11e-05 2.62e-05 9.8e-06 ] [ 6.5e-06 -6.6e-06 -5.4e-06 ] [ 1.75e-05 -6.8e-06 1.94e-05 ] [ 1.92e-05 2.3e-05 -1.03e-05 ] [ -2e-07 -4.6e-06 -1.49e-05 ] [ -2.19e-05 -3.11e-05 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.380592669888e-14 4.197702746496e-14 1.570133088384e-14 ] [ 1.04141480352e-14 -1.057436569728e-14 -8.65175375232e-15 ] [ 2.8038090864e-14 -1.089480102144e-14 3.108222644352e-14 ] [ 3.076179111936e-14 3.68500622784e-14 -1.650241919424e-14 ] [ -3.2043532416e-16 -7.370012455680001e-15 -2.387243164992e-14 ] [ -3.508766799552e-14 -4.982769290688e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.45441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.918028397745773e-18 } }