{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1251529 1.0572842 -0.252709 ] [ 0.5224669 -0.5851031 0.1707361 ] [ -1.7212936 0.2295359 0.1437006 ] [ -1.0500815 -0.6773297 -1.3164666 ] [ 0.8756679 -0.9150155 1.2520836 ] [ -0.2889174 0.5598014 0.9762199 ] [ 0.5370048 0.3308268 -0.9735646 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.802693671205321e-09 1.693956026781231e-09 -4.048844516657472e-10 ] [ 8.370842523218514e-10 -9.374385075776045e-10 2.735493877465709e-10 ] [ -2.757816363452667e-09 3.677570526142867e-10 2.302337417149325e-10 ] [ -1.682416029234595e-09 -1.085201809913478e-09 -2.109212008584065e-09 ] [ 1.402974636965033e-09 -1.466016441769622e-09 2.006059071207099e-09 ] [ -4.628967036223219e-10 8.969007153711092e-10 1.564076700539714e-09 ] [ 8.603765358173798e-10 5.300429644940773e-10 -1.559822440958504e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.31188 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.734974912289511e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6807605 1.7899041 3.1237504 ] [ 1.9921437 3.465871 1.3382691 ] [ 1.9962879 4.1075566 3.647797 ] [ 3.4812072 1.5007463 1.4598581 ] [ 3.9613642 1.5142378 3.808258 ] [ 4.3722963 3.7259628 1.4519461 ] [ 4.3321784 3.8411632 3.8050734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6807605e-10 1.7899041e-10 3.1237504e-10 ] [ 1.9921437e-10 3.465871e-10 1.3382691e-10 ] [ 1.9962879e-10 4.1075566e-10 3.647797e-10 ] [ 3.4812072e-10 1.5007463e-10 1.4598581e-10 ] [ 3.9613642e-10 1.5142378e-10 3.808258e-10 ] [ 4.372296300000001e-10 3.7259628e-10 1.4519461e-10 ] [ 4.3321784e-10 3.8411632e-10 3.8050734e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-05 -1.43e-05 1.22e-05 ] [ -4e-07 -5.4e-06 -2.24e-05 ] [ -9.2e-06 3.8e-06 -9.8e-06 ] [ 1.9e-06 -8.4e-06 -6.3e-06 ] [ -1.4e-06 6.1e-06 -3.12e-05 ] [ -1.97e-05 -1.05e-05 1.06e-05 ] [ 5.2e-05 2.87e-05 4.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-14 -2.291112567744e-14 1.954655477376e-14 ] [ -6.408706483200001e-16 -8.65175375232e-15 -3.588875630592e-14 ] [ -1.474002491136e-14 6.08827115904e-15 -1.570133088384e-14 ] [ 3.04413557952e-15 -1.345828361472e-14 -1.009371271104e-14 ] [ -2.24304726912e-15 9.77327738688e-15 -4.998791056896e-14 ] [ -3.156287942976e-14 -1.68228545184e-14 1.698307218048e-14 ] [ 8.33131842816e-14 4.598246901696e-14 7.514208351552e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }