{ "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" [ [ -3.5424496 -2.7619161 -3.7135911 ] [ -1.8616411 -3.0351839 0.850711 ] [ 2.7154554 -1.8396915 -0.8589927 ] [ -1.489273 2.0247374 -4.2279296 ] [ 10.3718687 -2.9876052 -0.9218865 ] [ -6.2642979 10.6897083 -3.3282598 ] [ 0.0703374 -2.0900491 12.1999486 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.675629976242646e-09 -4.425077440488408e-09 -5.949828888650357e-09 ] [ -2.982677871314057e-09 -4.862900724472992e-09 1.362989286486774e-09 ] [ 4.350639192549124e-09 -2.947510735068411e-09 -1.376258032716572e-09 ] [ -2.386078402247082e-09 3.243986952265911e-09 -6.773890015316966e-09 ] [ 1.661756568205596e-08 -4.786671243056896e-09 -1.477025009500041e-09 ] [ -1.003651172379527e-08 1.712680086253586e-08 -5.332460083441513e-09 ] [ 1.126929387763116e-10 -3.348627831932729e-09 1.954647258292101e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.072805 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.774058944383837e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4074981 2.5915875 2.8295509 ] [ 3.1014459 1.5139318 1.4473062 ] [ 4.7386769 1.7010871 3.2668717 ] [ 3.7815992 3.6882194 0.5805291 ] [ 5.4496188 3.8788744 2.4342832 ] [ 3.0488305 4.4927886 2.844262 ] [ 3.0754947 2.7822613 4.683322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4074981e-10 2.5915875e-10 2.8295509e-10 ] [ 3.1014459e-10 1.5139318e-10 1.4473062e-10 ] [ 4.7386769e-10 1.7010871e-10 3.2668717e-10 ] [ 3.7815992e-10 3.6882194e-10 5.805291e-11 ] [ 5.449618799999999e-10 3.8788744e-10 2.4342832e-10 ] [ 3.0488305e-10 4.4927886e-10 2.844262e-10 ] [ 3.0754947e-10 2.7822613e-10 4.683322000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.14e-05 -2.9e-05 8.2e-06 ] [ 1.07e-05 3.54e-05 -6.8e-06 ] [ -3.94e-05 1.32e-05 1.63e-05 ] [ 1.88e-05 -0.0 0.0001109 ] [ -1.54e-05 2.14e-05 -3.76e-05 ] [ 4.77e-05 -6.1e-06 -9.64e-05 ] [ 3.9e-05 -3.49e-05 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.83736453276e-14 -4.6463122386e-14 1.31378483988e-14 ] [ 1.71432899838e-14 5.671705284359999e-14 -1.08948011112e-14 ] [ -6.31257593796e-14 2.11487315688e-14 2.61154791342e-14 ] [ 3.012092071919999e-14 0.0 1.776813887106e-13 ] [ -2.46735201636e-14 3.42865799676e-14 -6.024184143839999e-14 ] [ 7.64238254418e-14 -9.773277467399999e-15 -1.544498275176e-13 ] [ 6.248488872599999e-14 -5.59159645266e-14 8.4915361602e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.65628 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.828847925936151e-18 } }