{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0968842 -4.5634681 -2.133061 ] [ -1.929506 -1.764772 2.5190419 ] [ -0.9605176 2.4368579 -2.6721861 ] [ -1.4154774 2.8466672 1.1121715 ] [ 3.2789687 -1.6857168 2.3894898 ] [ 2.1667744 1.7808451 -2.2054633 ] [ 0.9566421 0.9495867 0.9900071 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.359578841764911e-09 -7.311481899586596e-09 -3.417540464940269e-09 ] [ -3.091409402893325e-09 -2.827476439442458e-09 4.035950038995611e-09 ] [ -1.538918842586926e-09 3.904276755591784e-09 -4.281314095846731e-09 ] [ -2.267844797550771e-09 4.560863635038198e-09 1.781895175620067e-09 ] [ 5.253486991474969e-09 -2.70081604624979e-09 3.828384693200068e-09 ] [ 3.471555286227947e-09 2.853228384486238e-09 -3.533541737292417e-09 ] [ 1.532709607093016e-09 1.521405610162623e-09 1.586166230046008e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.238089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.761846318306965e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7095819 1.8742437 1.678561 ] [ 2.2837707 1.6968208 4.0124264 ] [ 2.6799919 3.9364451 1.0445983 ] [ 2.4196862 5.23539 3.0036641 ] [ 5.5906147 3.3920891 3.3277629 ] [ 5.0164501 3.5694886 0.9938889 ] [ 3.5088574 3.6803358 4.4137994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7095819e-10 1.8742437e-10 1.678561e-10 ] [ 2.2837707e-10 1.6968208e-10 4.0124264e-10 ] [ 2.6799919e-10 3.9364451e-10 1.0445983e-10 ] [ 2.4196862e-10 5.23539e-10 3.0036641e-10 ] [ 5.5906147e-10 3.3920891e-10 3.3277629e-10 ] [ 5.0164501e-10 3.5694886e-10 9.938889e-11 ] [ 3.5088574e-10 3.6803358e-10 4.4137994e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.15e-05 -0.0 -8.2e-06 ] [ -1.59e-05 -3.9e-06 2e-06 ] [ -3.74e-05 -1.39e-05 -4.1e-06 ] [ 3e-05 1.24e-05 1.49e-05 ] [ -2.05e-05 -1.2e-06 -4.9e-06 ] [ -1.1e-06 -3e-07 9.1e-06 ] [ 3.6e-06 7e-06 -8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.64903297632e-14 0.0 -1.313784829056e-14 ] [ -2.547460827072e-14 -6.24848882112e-15 3.2043532416e-15 ] [ -5.992140561792e-14 -2.227025502912e-14 -6.568924145279999e-15 ] [ 4.8065298624e-14 1.986699009792e-14 2.387243164992e-14 ] [ -3.28446207264e-14 -1.92261194496e-15 -7.850665441919999e-15 ] [ -1.76239428288e-15 -4.8065298624e-16 1.457980724928e-14 ] [ 5.76783583488e-15 1.12152363456e-14 -1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }