{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2746439 1.560326 -2.9868996 ] [ -0.3080958 0.8143344 3.2572788 ] [ -6.9643669 -2.4014171 0.0099937 ] [ -0.8958959 -2.8464454 3.2886963 ] [ -1.1494658 0.0258568 -0.4627767 ] [ 5.0592907 1.4163225 1.2595718 ] [ -0.0161101 1.4310229 -4.3658644 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.848734518825333e-09 2.499917838026381e-09 -4.785540707796872e-09 ] [ -4.936238877266726e-10 1.304707537193196e-09 5.218735940787479e-09 ] [ -1.115814582585337e-08 -3.847494334409336e-09 1.601167249528896e-11 ] [ -1.435383465650575e-09 -4.560508272263704e-09 5.269072324771463e-09 ] [ -1.841647231169169e-09 4.142716044870144e-11 -7.414500093909754e-10 ] [ 8.105877277370867e-09 2.269198797013008e-09 2.018056490178974e-09 ] [ -2.581122557875008e-11 2.292751434209417e-09 -6.994885871263021e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.005778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.724625993011498e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3832629 2.1685969 3.1658313 ] [ 3.070746 5.3847041 2.8240079 ] [ 2.709674 3.5924235 1.2267092 ] [ 4.499035 1.998279 1.9874822 ] [ 5.423839 3.28832 3.8244771 ] [ 5.0218246 4.4438932 1.7275652 ] [ 3.2649216 3.8292743 4.5719001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3832629e-10 2.1685969e-10 3.1658313e-10 ] [ 3.070746e-10 5.384704100000001e-10 2.8240079e-10 ] [ 2.709674e-10 3.5924235e-10 1.2267092e-10 ] [ 4.499035e-10 1.998279e-10 1.9874822e-10 ] [ 5.423839e-10 3.28832e-10 3.8244771e-10 ] [ 5.0218246e-10 4.4438932e-10 1.7275652e-10 ] [ 3.2649216e-10 3.8292743e-10 4.5719001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.11e-05 2.76e-05 -9e-06 ] [ 1.75e-05 -1.37e-05 -1.2e-06 ] [ -1.51e-05 -8.5e-06 -1.14e-05 ] [ 1.68e-05 -2e-06 1.88e-05 ] [ -5e-07 4.4e-06 -2.6e-06 ] [ -6.3e-06 1.42e-05 -1.23e-05 ] [ -1.3e-06 -2.18e-05 1.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.778416049088e-14 4.422007473408001e-14 -1.44195895872e-14 ] [ 2.8038090864e-14 -2.194981970496e-14 -1.92261194496e-15 ] [ -2.419286697408e-14 -1.36185012768e-14 -1.826481347712e-14 ] [ 2.691656722944e-14 -3.2043532416e-15 3.012092047104e-14 ] [ -8.010883104e-16 7.04957713152e-15 -4.16565921408e-15 ] [ -1.009371271104e-14 2.275090801536e-14 -1.970677243584e-14 ] [ -2.08282960704e-15 -3.492745033344e-14 2.835852618816e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.526286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609108878265435e-18 } }