{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1580195 -4.3042537 1.3951029 ] [ -1.5312766 5.2568625 -5.8426132 ] [ -6.6984869 1.209259 4.0666517 ] [ 3.7730024 -0.690594 -0.7555586 ] [ 2.5508537 -3.9741187 -2.3269608 ] [ 2.5839264 4.3080086 -1.4432579 ] [ 2.4800006 -1.8051637 4.9066358 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.059705052616363e-09 -6.896174704948045e-09 2.235201268405638e-09 ] [ -2.453375588710964e-09 8.422422265650825e-09 -9.360898350539967e-09 ] [ -1.073215919433509e-08 1.937446514254206e-09 6.515494332356378e-09 ] [ 6.045016285305921e-09 -1.106453570380596e-09 -1.210538334537752e-09 ] [ 4.086918194892445e-09 -6.367240121882455e-09 -3.728202221993947e-09 ] [ 4.139906502055738e-09 6.902190717991052e-09 -2.312354084215909e-09 ] [ 3.97339901362598e-09 -2.892191100684986e-09 7.861297230307896e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.065744 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.25358063766257e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2987764 2.380838 2.1061345 ] [ 2.8854831 4.5959737 1.1238527 ] [ 1.849947 3.2824276 4.4263488 ] [ 6.160476 2.8846106 1.3467804 ] [ 4.5311871 1.5686412 2.7655925 ] [ 4.9626261 4.7979074 2.4878948 ] [ 4.3775554 3.3849874 4.4216923 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2987764e-10 2.380838e-10 2.1061345e-10 ] [ 2.8854831e-10 4.5959737e-10 1.1238527e-10 ] [ 1.849947e-10 3.2824276e-10 4.426348800000001e-10 ] [ 6.160476e-10 2.8846106e-10 1.3467804e-10 ] [ 4.531187100000001e-10 1.5686412e-10 2.7655925e-10 ] [ 4.962626099999999e-10 4.797907399999999e-10 2.4878948e-10 ] [ 4.3775554e-10 3.3849874e-10 4.4216923e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.31e-05 3.95e-05 -8.4e-06 ] [ -2.69e-05 -2.15e-05 2.28e-05 ] [ -3.48e-05 -1.53e-05 9e-06 ] [ 1.27e-05 -2.56e-05 2.29e-05 ] [ 4.66e-05 -2.24e-05 -2.02e-05 ] [ 2.63e-05 1.83e-05 -4e-07 ] [ 9.2e-06 2.71e-05 -2.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.303204658539999e-14 6.328597704299999e-14 -1.34582837256e-14 ] [ -4.309855145459999e-14 -3.4446797631e-14 3.65296272552e-14 ] [ -5.575574686319999e-14 -2.45133025002e-14 1.4419589706e-14 ] [ 2.03476432518e-14 -4.10157218304e-14 3.66898449186e-14 ] [ 7.466143114439999e-14 -3.588875660159999e-14 -3.236396800679999e-14 ] [ 4.21372454742e-14 2.93198324022e-14 -6.408706536e-16 ] [ 1.47400250328e-14 4.34189867814e-14 -4.11759394938e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }