{ "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" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.3682935 -1.2906149 -2.0030056 ] [ 2.5468605 -13.0681349 -4.1875658 ] [ -6.1494366 4.6726608 8.3194581 ] [ 0.3131802 2.0509962 -2.0846635 ] [ 6.5705074 3.9669951 -4.7078338 ] [ 7.087182 3.6680977 4.6636107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.661183744329261e-08 -2.06779301923613e-09 -3.209168743651476e-09 ] [ 4.080520349538999e-09 -2.093746021424055e-08 -6.709220022821648e-09 ] [ -9.85248355161184e-09 7.486427890688625e-09 1.332924126554519e-08 ] [ 5.017699945374682e-10 3.286058160989641e-09 -3.339999121935101e-09 ] [ 1.05271133430734e-08 6.355826804048158e-09 -7.542781248972024e-09 ] [ 1.135491730775459e-08 5.876940377750252e-09 7.471928032052724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7289581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.178802729362789e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8979436 1.620404 1.8271679 ] [ 2.8088907 0.1717146 1.1260266 ] [ 1.7789069 2.2499878 3.9559899 ] [ 1.9926616 3.4318563 0.4996684 ] [ 4.1358908 2.2881395 1.0831874 ] [ 4.0643324 2.7212718 3.4308827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.979436e-11 1.620404e-10 1.8271679e-10 ] [ 2.8088907e-10 1.717146e-11 1.1260266e-10 ] [ 1.7789069e-10 2.2499878e-10 3.9559899e-10 ] [ 1.9926616e-10 3.431856300000001e-10 4.996684e-11 ] [ 4.135890800000001e-10 2.2881395e-10 1.0831874e-10 ] [ 4.0643324e-10 2.7212718e-10 3.4308827e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 1.5e-06 -5.43e-05 ] [ -3.9e-06 2.46e-05 2.36e-05 ] [ 1.91e-05 -9.2e-06 4.21e-05 ] [ 5.1e-06 -1.19e-05 1.54e-05 ] [ -2.4e-06 -4e-06 2.41e-05 ] [ -1.41e-05 -1e-06 -5.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 2.4032649312e-15 -8.699819050944e-14 ] [ -6.24848882112e-15 3.941354487168e-14 3.781136825088e-14 ] [ 3.060157345728e-14 -1.474002491136e-14 6.745163573568001e-14 ] [ 8.17110076608e-15 -1.906590178752e-14 2.467351996032e-14 ] [ -3.84522388992e-15 -6.4087064832e-15 3.861245656128e-14 ] [ -2.259069035328e-14 -1.6021766208e-15 -8.155078999872e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.132746 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.104097860810472e-18 } }