{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6571922 -2.7249259 -12.4096644 ] [ -3.6214416 0.9081901 8.1174129 ] [ -0.703417 -5.6355148 1.0429712 ] [ -2.4778134 7.4520812 -0.4909472 ] [ 11.4598642 0.0001694 3.7402274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.461644461412117e-09 -4.365812570392399e-09 -1.988247417365406e-08 ] [ -5.802189065112545e-09 1.455080945462014e-09 1.300552916976033e-08 ] [ -1.126998272073273e-09 -9.029090058732388e-09 1.671024072807721e-09 ] [ -3.969894700184959e-09 1.193955027494321e-08 -7.865841258872218e-10 ] [ 1.836072649878289e-08 2.7140871956352e-13 5.992504896755571e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6303794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.020862240913931e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.8216562 2.4598275 -0.1525647 ] [ 1.4483118 2.8808379 3.0522196 ] [ 2.6689032 1.1167825 1.7743622 ] [ 2.4635353 4.3689477 1.3232026 ] [ 4.4287104 2.8879342 1.7467004 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8216562e-10 2.4598275e-10 -1.525647e-11 ] [ 1.4483118e-10 2.8808379e-10 3.0522196e-10 ] [ 2.6689032e-10 1.1167825e-10 1.7743622e-10 ] [ 2.4635353e-10 4.3689477e-10 1.3232026e-10 ] [ 4.4287104e-10 2.8879342e-10 1.7467004e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.58e-05 -6.1e-06 -2.7e-06 ] [ -5.5e-06 -6e-06 -1.4e-05 ] [ 6.1e-06 7.5e-06 7.1e-06 ] [ 1.06e-05 4.4e-06 9e-06 ] [ 4.6e-06 1e-07 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.531439060864e-14 -9.77327738688e-15 -4.32587687616e-15 ] [ -8.8119714144e-15 -9.6130597248e-15 -2.24304726912e-14 ] [ 9.77327738688e-15 1.2016324656e-14 1.137545400768e-14 ] [ 1.698307218048e-14 7.04957713152e-15 1.44195895872e-14 ] [ 7.370012455680001e-15 1.6021766208e-16 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }