{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2245113 0.4062398 2.51204 ] [ 0.3734712 1.938106 1.147246 ] [ 0.9603572 2.15083 2.976354 ] [ 2.053947 0.3264748 1.110732 ] [ 2.246066 2.745531 0.3277405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.245113e-11 4.062398e-11 2.51204e-10 ] [ 3.734712e-11 1.938106e-10 1.147246e-10 ] [ 9.603572000000001e-11 2.15083e-10 2.976354000000001e-10 ] [ 2.053947e-10 3.264748e-11 1.110732e-10 ] [ 2.246066e-10 2.745531e-10 3.277405e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.765792 -16.818029 6.7552469 ] [ -10.9860224 9.2869466 -15.7309559 ] [ 3.7092665 14.3404802 19.5912886 ] [ 10.1860254 -10.515201 -6.3562185 ] [ 4.8565226 3.7058031 -4.2593612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.244217038439567e-08 -2.69454528717364e-08 1.082309865091168e-08 ] [ -1.76015482448651e-08 1.487932872113805e-08 -2.520376976581582e-08 ] [ 5.942900066616643e-09 2.297598210748531e-08 3.138870456626556e-08 ] [ 1.631981175475497e-08 -1.684720920521278e-08 -1.018378467739644e-08 ] [ 7.78100696810683e-09 5.937351088108164e-09 -6.824248934182633e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.0031784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.811622220571551e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0631234 0.0377652 2.9613209 ] [ 0.5016942 3.343153 1.1612688 ] [ -0.0880014 2.0862976 3.0596402 ] [ 2.3642586 0.0285619 1.0021878 ] [ 2.0172778 2.0714039 -0.1103052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0631234e-10 3.77652e-12 2.9613209e-10 ] [ 5.016942e-11 3.343153e-10 1.1612688e-10 ] [ -8.80014e-12 2.0862976e-10 3.0596402e-10 ] [ 2.3642586e-10 2.85619e-12 1.0021878e-10 ] [ 2.0172778e-10 2.0714039e-10 -1.103052e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 1.8e-06 -9e-07 ] [ 2e-07 -6e-07 5e-07 ] [ -4e-07 7e-07 -3e-07 ] [ 1.8e-06 -2e-06 -1.1e-06 ] [ -1.4e-06 1e-07 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 2.88391791744e-15 -1.44195895872e-15 ] [ 3.2043532416e-16 -9.6130597248e-16 8.010883104e-16 ] [ -6.408706483200001e-16 1.12152363456e-15 -4.8065298624e-16 ] [ 2.88391791744e-15 -3.2043532416e-15 -1.76239428288e-15 ] [ -2.24304726912e-15 1.6021766208e-16 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }