{ "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" [ [ 2.690681 1.842727 3.696963 ] [ 2.658202 3.646198 2.018485 ] [ 5.329976 0.2810446 1.792372 ] [ 5.111587 2.700534 2.069297 ] [ 3.393505 1.493232 0.8693091 ] [ 5.014849 1.504764 3.993476 ] [ 3.843884 3.656776 4.040771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.690681e-10 1.842727e-10 3.696963e-10 ] [ 2.658202e-10 3.646198e-10 2.018485e-10 ] [ 5.329976000000001e-10 2.810446e-11 1.792372e-10 ] [ 5.111587e-10 2.700534e-10 2.069297e-10 ] [ 3.393505e-10 1.493232e-10 8.693091e-11 ] [ 5.014849e-10 1.504764e-10 3.993476e-10 ] [ 3.843884e-10 3.656776e-10 4.040771000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5948463 -7.0259488 0.7218229 ] [ -6.4178434 4.7614465 -4.137204 ] [ -0.0882221 -1.7500914 -0.2021479 ] [ 8.8889076 3.6327598 -7.0109184 ] [ -1.8300145 -3.0580587 -3.1101344 ] [ 4.4440072 -6.5020246 6.1729081 ] [ 1.5980116 9.9419172 7.5656736 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.056610855962938e-08 -1.125681090629782e-08 1.156487774738056e-09 ] [ -1.028251865143558e-08 7.628678263489987e-09 -6.628531524280243e-09 ] [ -1.413473860578797e-10 -2.803955525343141e-09 -3.238766393238163e-10 ] [ 1.424159994117144e-08 5.820322820542084e-09 -1.123272955081654e-08 ] [ -2.932006447625002e-09 -4.899550154174041e-09 -4.982984623225836e-09 ] [ 7.12008443850687e-09 -1.041739180198647e-08 9.890089040166949e-09 ] [ 2.560296825287201e-09 1.59287073037694e-08 1.212154536252377e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.4359619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.300664584539548e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6466329 1.4387676 3.8603799 ] [ 2.621758 3.9080544 2.0691552 ] [ 5.2200788 0.3056184 1.834463 ] [ 5.5131829 2.9995382 1.8040701 ] [ 3.363934 1.2338651 0.7967583 ] [ 4.9518944 1.1406202 4.0778175 ] [ 3.725203 4.0988117 4.038029 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6466329e-10 1.4387676e-10 3.8603799e-10 ] [ 2.621758e-10 3.9080544e-10 2.0691552e-10 ] [ 5.2200788e-10 3.056184e-11 1.834463e-10 ] [ 5.5131829e-10 2.9995382e-10 1.8040701e-10 ] [ 3.363934e-10 1.2338651e-10 7.967583e-11 ] [ 4.9518944e-10 1.1406202e-10 4.0778175e-10 ] [ 3.725203e-10 4.0988117e-10 4.038029e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4348018 -3.6170732 0.0284176 ] [ 0.9074554 1.1184506 2.7465922 ] [ -0.6833645 -0.9114994 -0.3386047 ] [ 0.9228852 1.5212261 -0.3557308 ] [ 0.8548672 -0.81972 1.197699 ] [ -2.8343508 -0.6499651 -0.6886564 ] [ -0.6022942 3.3585811 -2.589717 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.298805899441757e-09 -5.795190116762243e-09 4.553001433924608e-11 ] [ 1.453903826298712e-09 1.791955402839733e-09 4.400525809711637e-09 ] [ -1.094870625384682e-09 -1.460383028553228e-09 -5.425045340329978e-10 ] [ 1.478625091122332e-09 2.437272892370763e-09 -5.699435710584807e-10 ] [ 1.369648241728758e-09 -1.313336219602176e-09 1.918925336555539e-09 ] [ -4.541130586905777e-09 -1.041358887555934e-09 -1.103349183844293e-09 ] [ -9.649816860834394e-10 5.381040117480747e-09 -4.149184031888313e-09 ] ] } "relaxed-potential-energy" { "source-value" -14.5729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.334835967725632e-18 } }