{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4743065 -2.9462946 -0.6193833 ] [ -2.9296983 1.9505217 1.3194375 ] [ -7.3673446 6.1930583 3.0883387 ] [ -4.8037071 -14.2044159 -6.2729476 ] [ 0.1747115 -0.1938092 4.6096469 ] [ 2.5705632 11.8808866 -8.7876791 ] [ 12.8297819 -2.679947 6.662587 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.599227916543209e-10 -4.720484365000375e-09 -9.92361450749812e-10 ] [ -4.693894160929522e-09 3.125080291849958e-09 2.113971932523375e-09 ] [ -1.180378737274608e-08 9.92237330125976e-09 4.948064103017935e-09 ] [ -7.6963872721999e-09 -2.275798325459808e-08 -1.005037007102638e-08 ] [ 2.79918682991091e-10 -3.105165716942328e-10 7.385468554170535e-09 ] [ 4.118496295260269e-09 1.90352789017237e-08 -1.407941412111015e-08 ] [ 2.055557677949612e-08 -4.293748463758398e-09 1.067464121339216e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.874597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.02404382895665e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2003051 0.5948338 3.7431679 ] [ 1.4516118 3.0131874 4.1606051 ] [ 1.8270516 4.8044051 2.5908662 ] [ 3.1299837 2.4746966 2.3282795 ] [ 3.7706902 2.3202283 4.7909277 ] [ 4.0843678 5.0746482 2.0375139 ] [ 5.3104748 3.5439752 3.3549617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2003051e-10 5.948338e-11 3.7431679e-10 ] [ 1.4516118e-10 3.0131874e-10 4.1606051e-10 ] [ 1.8270516e-10 4.8044051e-10 2.5908662e-10 ] [ 3.1299837e-10 2.4746966e-10 2.3282795e-10 ] [ 3.770690200000001e-10 2.3202283e-10 4.7909277e-10 ] [ 4.0843678e-10 5.074648200000001e-10 2.0375139e-10 ] [ 5.3104748e-10 3.543975200000001e-10 3.3549617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0061538 0.0819763 -0.0031039 ] [ 0.0497246 -0.0336189 0.005731 ] [ -0.0213761 0.0051765 -0.0180129 ] [ -0.0394827 -0.0873306 0.0403745 ] [ -0.0300567 -0.0398807 -0.0322929 ] [ 0.0206964 0.0565819 -0.0137988 ] [ 0.0143407 0.0170955 0.021103 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.8594745703092e-12 1.313405124017742e-10 -4.9729960542726e-12 ] [ 7.966759225499639e-11 -5.386341604078259e-11 9.182074289454e-12 ] [ -3.42482879460474e-11 8.293667345900999e-12 -2.885984749057859e-11 ] [ -6.32582593872318e-11 -1.399190467532004e-10 6.4687080509433e-11 ] [ -4.815614243514779e-11 -6.389592568756378e-11 -5.17389298240986e-11 ] [ 3.31592884879176e-11 9.065419808732459e-11 -2.21081149372392e-11 ] [ 2.29763344552038e-11 2.7390010646547e-11 3.3810733507302e-11 ] ] } "relaxed-potential-energy" { "source-value" -25.08503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.019064892918902e-18 } }