{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5460213 -11.0694823 -1.9563943 ] [ -14.409758 6.6303609 -1.1936498 ] [ -15.1075244 9.5402052 4.0378693 ] [ -18.6679945 -41.9087836 -1.8678426 ] [ 31.2980732 34.1026688 -4.1731586 ] [ 17.433225 2.705031 5.1531759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.748225613188231e-10 -1.773526574541941e-08 -3.134489208526381e-09 ] [ -2.308697737898577e-08 1.062300922144645e-08 -1.912437802982596e-09 ] [ -2.420492239184555e-08 1.528509372907459e-08 6.469379790306061e-09 ] [ -2.990942434512299e-08 -6.714527329008646e-08 -2.992613745054286e-09 ] [ 5.014504115712705e-08 5.463849865824558e-08 -6.686137143810458e-09 ] [ 2.793110552014608e-08 4.333937426739245e-09 8.256297949849999e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4224338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.483343420595703e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6674622 -0.133714 2.2112838 ] [ 0.6491924 3.1050163 0.2293136 ] [ 0.826565 2.3122761 2.6093317 ] [ 2.2410937 -0.341765 0.2890884 ] [ 2.9185772 2.035686 0.0537895 ] [ 3.3252402 2.564997 2.478421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.674622e-11 -1.33714e-11 2.2112838e-10 ] [ 6.491924000000001e-11 3.1050163e-10 2.293136e-11 ] [ 8.26565e-11 2.3122761e-10 2.6093317e-10 ] [ 2.2410937e-10 -3.41765e-11 2.890884e-11 ] [ 2.9185772e-10 2.035686e-10 5.37895e-12 ] [ 3.3252402e-10 2.564997e-10 2.478421e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.07e-05 8.6e-06 3e-07 ] [ 3.3e-06 -2.9e-06 1.9e-06 ] [ 6.7e-06 8.6e-06 -1.77e-05 ] [ -8.3e-06 -1.27e-05 -1.26e-05 ] [ -1.46e-05 2.1e-06 2.5e-05 ] [ -7.7e-06 -3.8e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.316505605055999e-14 1.377871893888e-14 4.8065298624e-16 ] [ 5.28718284864e-15 -4.646312200320001e-15 3.04413557952e-15 ] [ 1.073458335936e-14 1.377871893888e-14 -2.835852618816e-14 ] [ -1.329806595264e-14 -2.034764308416e-14 -2.018742542208e-14 ] [ -2.339177866368e-14 3.36457090368e-15 4.005441552e-14 ] [ -1.233675998016e-14 -6.08827115904e-15 4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.334204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.097680963057785e-18 } }