{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -90.6063804 44.6972355 44.5256502 ] [ 239.6116298 -102.9119964 -319.2531317 ] [ 82.012684 22.0606174 -73.145366 ] [ 1652.9049109 -225.6732153 786.5559899 ] [ -1883.9228443 261.8273588 -438.6831424 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.451674243721914e-07 7.16128657324918e-08 7.133795577635884e-08 ] [ 3.839001513373446e-07 -1.648831946319338e-07 -5.114999037269233e-07 ] [ 1.313988049138582e-07 3.534500543869369e-08 -1.171917953250592e-07 ] [ 2.648245604649487e-06 -3.615683494944249e-07 1.260201617967981e-06 ] [ -3.018377136528498e-06 4.194936729551732e-07 -7.028478746923572e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 471.77967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.558743574427392e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9099724 0.1256847 3.4108799 ] [ -0.4929307 2.1990306 2.1180414 ] [ 3.3911404 -0.1795245 2.1113131 ] [ 3.5936026 1.8478229 0.1657995 ] [ 1.0514382 3.0351081 -0.0847346 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.099724e-11 1.256847e-11 3.4108799e-10 ] [ -4.929307e-11 2.1990306e-10 2.1180414e-10 ] [ 3.3911404e-10 -1.795245e-11 2.1113131e-10 ] [ 3.5936026e-10 1.8478229e-10 1.657995e-11 ] [ 1.0514382e-10 3.0351081e-10 -8.47346e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 8e-07 -9e-07 ] [ 6.4e-06 -3.8e-06 1.6e-06 ] [ -6.5e-06 3.5e-06 -1e-06 ] [ -5.4e-06 2.9e-06 1.6e-06 ] [ 5.2e-06 -3.3e-06 -1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 1.28174129664e-15 -1.44195895872e-15 ] [ 1.025393037312e-14 -6.08827115904e-15 2.56348259328e-15 ] [ -1.04141480352e-14 5.6076181728e-15 -1.6021766208e-15 ] [ -8.65175375232e-15 4.646312200320001e-15 2.56348259328e-15 ] [ 8.33131842816e-15 -5.28718284864e-15 -1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }