{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5544913 -9.738864 9.5300355 ] [ -4.2997114 8.3944883 -2.5043192 ] [ -14.3397146 5.0007674 -11.0387944 ] [ 0.4613775 13.1693121 5.2726952 ] [ 11.2122488 -11.9776643 -6.5238154 ] [ 4.3250666 -1.3967571 0.908097 ] [ 6.1952244 -3.4512824 4.3561013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.694922906616284e-09 -1.560338034250377e-08 1.526880019929051e-08 ] [ -6.888897138023426e-09 1.344945300864638e-08 -4.012361706317572e-09 ] [ -2.297475567034865e-08 8.01211268034893e-09 -1.768609845521005e-08 ] [ 7.39208249953335e-10 2.109956413247347e-08 8.447789047643957e-09 ] [ 1.796400304195453e-08 -1.919033387135597e-08 -1.045230459840936e-08 ] [ 6.929520647013825e-09 -2.237851588993601e-09 1.454931794805498e-09 ] [ 9.92584377606667e-09 -5.529564018615441e-09 6.979243718197023e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.378765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.983296804077701e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4899242 3.1066149 3.2650168 ] [ 2.5997383 5.934941 1.3117579 ] [ 1.2697658 3.903502 0.8692018 ] [ 2.3696847 5.4397732 3.7186879 ] [ 3.2230174 2.3782457 1.4000772 ] [ 4.6073492 4.4993486 1.3107838 ] [ 4.0749194 3.5681076 3.6070277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4899242e-10 3.1066149e-10 3.2650168e-10 ] [ 2.5997383e-10 5.934941e-10 1.3117579e-10 ] [ 1.2697658e-10 3.903502e-10 8.692018000000001e-11 ] [ 2.3696847e-10 5.439773200000001e-10 3.7186879e-10 ] [ 3.2230174e-10 2.3782457e-10 1.4000772e-10 ] [ 4.6073492e-10 4.499348600000001e-10 1.3107838e-10 ] [ 4.0749194e-10 3.5681076e-10 3.6070277e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 -4e-07 1.7e-06 ] [ 1.2e-06 -1.4e-06 -1e-06 ] [ -4.4e-06 -3.3e-06 9e-07 ] [ 3.3e-06 7e-07 -3.8e-06 ] [ -1e-07 3.4e-06 -4.1e-06 ] [ 1.8e-06 2.9e-06 3.6e-06 ] [ -8e-07 -1.9e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4419589706e-15 -6.408706536e-16 2.7237002778e-15 ] [ 1.9226119608e-15 -2.2430472876e-15 -1.602176634e-15 ] [ -7.0495771896e-15 -5.2871828922e-15 1.4419589706e-15 ] [ 5.2871828922e-15 1.1215236438e-15 -6.088271209199999e-15 ] [ -1.602176634e-16 5.4474005556e-15 -6.568924199399999e-15 ] [ 2.8839179412e-15 4.6463122386e-15 5.767835882399999e-15 ] [ -1.2817413072e-15 -3.0441356046e-15 4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }