{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.1062314 -6.4654395 -0.1014067 ] [ -4.9144786 4.5876357 5.4343884 ] [ -3.071279 0.381869 -0.130761 ] [ 5.328446 -2.7006219 -2.6724159 ] [ 4.8852905 -5.6384235 2.9110544 ] [ 2.2984846 1.2935929 -10.5401029 ] [ 1.5797679 8.5413873 5.0992436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.783261190274854e-09 -1.035877601009684e-08 -1.624714439324794e-10 ] [ -7.873862716341915e-09 7.350202663287443e-09 8.706850042826719e-09 ] [ -4.920731409754003e-09 6.118215840082753e-10 -2.095022171124288e-10 ] [ 8.537111606395276e-09 -4.326873269800475e-09 -4.281682276034191e-09 ] [ 7.827098224916344e-09 -9.033750309869308e-09 4.664023301556972e-09 ] [ 3.68257828938884e-09 2.072564301212872e-09 -1.688710644720628e-08 ] [ 2.531067195670312e-09 1.368481104125804e-08 8.169888879684028e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.754883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844645844763937e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0994597 1.3710811 2.910972 ] [ 2.0084105 3.2433856 4.5271852 ] [ 1.6578918 3.7028767 2.1205347 ] [ 4.2393928 1.4730938 1.7710333 ] [ 4.1962046 2.1696163 4.0952928 ] [ 3.8252209 3.6602413 1.029637 ] [ 3.7546247 4.5014101 3.3048601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0994597e-10 1.3710811e-10 2.910972e-10 ] [ 2.0084105e-10 3.2433856e-10 4.5271852e-10 ] [ 1.6578918e-10 3.7028767e-10 2.1205347e-10 ] [ 4.2393928e-10 1.4730938e-10 1.7710333e-10 ] [ 4.1962046e-10 2.1696163e-10 4.0952928e-10 ] [ 3.8252209e-10 3.6602413e-10 1.029637e-10 ] [ 3.7546247e-10 4.5014101e-10 3.3048601e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 -2.7e-06 1.05e-05 ] [ 1.4e-06 1.49e-05 -9.1e-06 ] [ -9.5e-06 -1.04e-05 -3.9e-06 ] [ 9.2e-06 1.85e-05 3.1e-06 ] [ -2.7e-06 -1.83e-05 -2.5e-06 ] [ -3.4e-06 1.3e-06 -9.5e-06 ] [ 9.5e-06 -3.3e-06 1.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.2097947936e-15 -4.32587687616e-15 1.68228545184e-14 ] [ 2.24304726912e-15 2.387243164992e-14 -1.457980724928e-14 ] [ -1.52206778976e-14 -1.666263685632e-14 -6.24848882112e-15 ] [ 1.474002491136e-14 2.96402674848e-14 4.96674752448e-15 ] [ -4.32587687616e-15 -2.931983216064e-14 -4.005441552e-15 ] [ -5.44740051072e-15 2.08282960704e-15 -1.52206778976e-14 ] [ 1.52206778976e-14 -5.28718284864e-15 1.810459581504e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043180251216e-18 } }