{ "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" [ [ -1.1669026 -1.5776844 -0.2952114 ] [ -0.5703585 -0.403303 0.4247282 ] [ -0.0059617 -0.1521705 -0.6977749 ] [ 0.0412521 -0.008764 -0.3951345 ] [ 6.2069274 -2.1716009 -1.2114502 ] [ -5.1789217 7.1443831 -3.3886281 ] [ 0.6739649 -2.8308603 5.5634709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.869584064470734e-09 -2.527729060680876e-09 -4.729808032736372e-10 ] [ -9.138150541745568e-10 -6.461626376985024e-10 6.804895922344666e-10 ] [ -9.551696360223362e-12 -2.438040174754464e-10 -1.117958631361058e-09 ] [ 6.609315017890368e-11 -1.40414759046912e-11 -6.330752579714976e-10 ] [ 9.944593967282931e-09 -3.479288191688239e-09 -1.940957187703484e-09 ] [ -8.297547268693792e-09 1.144656357285863e-08 -5.429180718405924e-09 ] [ 1.07981080601981e-09 -4.535538189410875e-09 8.913663006481135e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.024147158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.651747738294668e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9188114 2.1864312 3.1115144 ] [ 3.4165532 1.8378072 1.2320631 ] [ 4.1966854 1.280293 3.4323424 ] [ 3.8577483 4.1100596 0.6015328 ] [ 5.01706 3.4249823 2.5436248 ] [ 2.6246987 4.4594367 2.6295571 ] [ 3.5716069 3.3497399 4.5354905 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9188114e-10 2.1864312e-10 3.1115144e-10 ] [ 3.4165532e-10 1.8378072e-10 1.2320631e-10 ] [ 4.1966854e-10 1.280293e-10 3.4323424e-10 ] [ 3.8577483e-10 4.1100596e-10 6.015328e-11 ] [ 5.01706e-10 3.4249823e-10 2.5436248e-10 ] [ 2.6246987e-10 4.459436700000001e-10 2.6295571e-10 ] [ 3.5716069e-10 3.3497399e-10 4.5354905e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.5e-05 -9.3e-06 2.4e-06 ] [ 3.9e-05 -2.92e-05 -1.66e-05 ] [ -8e-06 2.1e-05 3.3e-05 ] [ -3.35e-05 2.21e-05 -5.26e-05 ] [ -3e-07 -2.03e-05 2.18e-05 ] [ -4e-07 6.43e-05 1.6e-06 ] [ 1.81e-05 -4.86e-05 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4032649312e-14 -1.490024257344e-14 3.84522388992e-15 ] [ 6.248488821120001e-14 -4.678355732736e-14 -2.659613190528e-14 ] [ -1.28174129664e-14 3.36457090368e-14 5.28718284864e-14 ] [ -5.36729167968e-14 3.540810331968e-14 -8.427449025408001e-14 ] [ -4.8065298624e-16 -3.252418540224e-14 3.492745033344e-14 ] [ -6.408706483200001e-16 1.0301995671744e-13 2.56348259328e-15 ] [ 2.899939683648e-14 -7.786578377088e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }