{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.3699969 -5.3341341 -0.9653127 ] [ 0.8641776 -8.4378125 -8.5169149 ] [ 4.2268669 -10.3027345 4.573359 ] [ -2.6689074 3.0309202 -8.4255027 ] [ 23.1066723 1.332893 -4.0023335 ] [ -10.9488128 21.7036229 -2.4682735 ] [ -0.2099996 -1.9927551 19.8049783 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.302327307414847e-08 -8.546224947232049e-09 -1.546601439701324e-09 ] [ 1.384565146939054e-09 -1.3518865918194e-08 -1.364560193412317e-08 ] [ 6.772187326413372e-09 -1.650680034620958e-08 7.327328868325267e-09 ] [ -4.276061039360114e-09 4.856069483950461e-09 -1.349914344442728e-08 ] [ 3.702097014354697e-08 2.135530002627975e-09 -6.412445162344637e-09 ] [ -1.754193189367579e-08 3.47730371970395e-08 -3.954610095440189e-09 ] [ -3.364564494973517e-10 -3.192745632199966e-09 3.173107320771133e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.550093 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.773140842226574e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7807534 2.1942195 2.9434612 ] [ 3.7813909 1.6309288 0.9126768 ] [ 4.141734 1.1954294 3.7021464 ] [ 3.381204 4.0140324 0.465997 ] [ 5.2129673 3.4901879 2.3404679 ] [ 2.9884141 4.8348753 2.8822718 ] [ 3.3167003 3.2890767 4.839104 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7807534e-10 2.1942195e-10 2.943461200000001e-10 ] [ 3.7813909e-10 1.6309288e-10 9.126768e-11 ] [ 4.141734e-10 1.1954294e-10 3.7021464e-10 ] [ 3.381204e-10 4.0140324e-10 4.65997e-11 ] [ 5.2129673e-10 3.4901879e-10 2.3404679e-10 ] [ 2.9884141e-10 4.8348753e-10 2.8822718e-10 ] [ 3.3167003e-10 3.2890767e-10 4.839104e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0936391 -1.0294534 0.1395186 ] [ -1.3875898 1.561638 -2.0870561 ] [ -0.7064504 0.2090448 1.6085802 ] [ -0.0785731 -1.4081858 0.4365708 ] [ 2.6671071 0.3816292 0.841595 ] [ -1.0308913 1.0475296 -1.0926041 ] [ 0.6300366 -0.7622024 0.1533957 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.500263768127533e-10 -1.649366169683071e-09 2.235334390867469e-10 ] [ -2.223163936820547e-09 2.50201989375287e-09 -3.343832489718027e-09 ] [ -1.131858314634808e-09 3.349266912598119e-10 2.577229589121788e-09 ] [ -1.258879838437805e-10 -2.256162366502545e-09 6.994635290839526e-10 ] [ 4.273176640789688e-09 6.114373820546073e-10 1.348383833182176e-09 ] [ -1.651669939446119e-09 1.678327434715976e-09 -1.750544744810225e-09 ] [ 1.009429910768321e-09 -1.22118286559765e-09 2.457670042712505e-10 ] ] } "relaxed-potential-energy" { "source-value" -9.5978852 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.537750727656233e-18 } }