{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.99553 -42.7628158 -14.1804327 ] [ -9.8933255 -7.2345148 -23.5195382 ] [ -49.4954517 54.2017439 19.6771013 ] [ 76.7316219 -51.9655628 28.4753169 ] [ 4.4210768 2.0910832 -5.9166782 ] [ -6.7683916 45.6700663 -4.535769 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.402548778044602e-08 -6.8513584278806e-08 -2.271955793194953e-08 ] [ -1.585085494865636e-08 -1.159097057088718e-08 -3.768245454651041e-08 ] [ -7.930045620301556e-08 8.684076759863202e-08 3.152619192771102e-08 ] [ 1.229376116971027e-07 -8.325801049081961e-08 4.562248738292531e-08 ] [ 7.083345946079491e-09 3.350284642789948e-09 -9.479563562937178e-09 ] [ -1.084415887128187e-08 7.317151309909082e-08 -7.267103109021546e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 49.685741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.960533327317579e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.592365 -0.4644022 2.2005432 ] [ -0.9236728 1.234982 1.7433535 ] [ 0.284887 3.1770463 1.3407271 ] [ 2.729417 0.4368779 2.0778914 ] [ 4.285187 4.1678411 1.2727992 ] [ 2.5485858 2.6920415 1.5457838 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.92365e-11 -4.644022e-11 2.2005432e-10 ] [ -9.236728e-11 1.234982e-10 1.7433535e-10 ] [ 2.84887e-11 3.1770463e-10 1.3407271e-10 ] [ 2.729417e-10 4.368779e-11 2.0778914e-10 ] [ 4.285187e-10 4.1678411e-10 1.2727992e-10 ] [ 2.5485858e-10 2.6920415e-10 1.5457838e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.13e-05 -1e-05 -5.1e-06 ] [ -1.85e-05 -2.03e-05 1.61e-05 ] [ 3.6e-05 4.1e-06 -9.2e-06 ] [ 1.36e-05 1.21e-05 -4e-07 ] [ -1.9e-05 -1.75e-05 7.3e-06 ] [ 9.1e-06 3.17e-05 -8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.41263623042e-14 -1.602176634e-14 -8.1711008334e-15 ] [ -2.9640267729e-14 -3.252418567019999e-14 2.579504380739999e-14 ] [ 5.7678358824e-14 6.568924199399999e-15 -1.47400250328e-14 ] [ 2.17896022224e-14 1.93863372714e-14 -6.408706536e-16 ] [ -3.0441356046e-14 -2.8038091095e-14 1.16958894282e-14 ] [ 1.45798073694e-14 5.078899929779999e-14 -1.39389367158e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.0983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41901434731222e-18 } }