{ "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" [ [ 0.0795215 1.172985 2.972487 ] [ 0.7048054 0.2310616 1.565444 ] [ 0.5328429 2.146868 1.561816 ] [ 2.937455 0.8293126 0.8336996 ] [ 1.506301 0.8690976 0.2004578 ] [ 2.979161 2.931887 0.4386378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.95215e-12 1.172985e-10 2.972487e-10 ] [ 7.048054e-11 2.310616e-11 1.565444e-10 ] [ 5.328429e-11 2.146868e-10 1.561816e-10 ] [ 2.937455e-10 8.293126e-11 8.336996000000001e-11 ] [ 1.506301e-10 8.690976e-11 2.004578e-11 ] [ 2.979161e-10 2.931887e-10 4.386378e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.7359629 0.8310062 19.5711851 ] [ -6.7816554 -21.5339052 -3.6853545 ] [ -17.7271775 25.3486402 8.7066944 ] [ -17.0041528 -13.0594899 -20.1907217 ] [ 37.5345129 -17.7215667 2.7988861 ] [ 15.7144356 26.1353153 -7.2006894 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.880308538095617e-08 1.331418705379849e-09 3.135649520856931e-08 ] [ -1.086540973220207e-08 -3.450111946596355e-08 -5.904588819260074e-09 ] [ -2.840206934327179e-08 4.061299869751103e-08 1.394966221213028e-08 ] [ -2.724365607267086e-08 -2.092360939735373e-08 -3.234910226481923e-08 ] [ 6.013691904149601e-08 -2.839307985068781e-08 4.484309873702091e-09 ] [ 2.517730132738722e-08 4.187339115089654e-08 -1.153677621032238e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 330.7683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.299492371617607e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.1093617 1.1858753 3.2927699 ] [ 0.5945881 -0.1195621 1.5106535 ] [ 0.2567454 2.5523461 1.6903143 ] [ 2.3863771 0.61064 0.3761722 ] [ 2.3863771 0.61064 0.3761722 ] [ 3.2253608 3.3412725 0.3264601 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.093617e-11 1.1858753e-10 3.2927699e-10 ] [ 5.945880999999999e-11 -1.195621e-11 1.5106535e-10 ] [ 2.567454e-11 2.5523461e-10 1.6903143e-10 ] [ 2.3863771e-10 6.1064e-11 3.761722e-11 ] [ 2.3863771e-10 6.1064e-11 3.761722e-11 ] [ 3.2253608e-10 3.3412725e-10 3.264601e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -11.4525958 -1.9950279 25.023746 ] [ -16.6351488 -23.9549126 3.7818761 ] [ -9.5572916 21.3552118 -3.3757992 ] [ -4.521841614204409e+110 2.2609208071022046e+110 -10.7314947 ] [ 4.521841614204409e+110 -2.2609208071022046e+110 -10.7314947 ] [ 10.7305884 16.544355 -3.9668335 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.834908123823227e-08 -3.19638705922372e-09 4.009246080603752e-08 ] [ -2.665244649088918e-08 -3.838000092102735e-08 6.059233470182283e-09 ] [ -1.531246915968823e-08 3.421482107819229e-08 -5.408626554755344e-09 ] [ -7.244788917238838e+101 3.622394458619419e+101 -1.719374991457911e-08 ] [ 7.244788917238838e+101 -3.622394458619419e+101 -1.719374991457911e-08 ] [ 1.719229786190768e-08 2.650697878721558e-08 -6.355567892306237e-09 ] ] } "relaxed-potential-energy" { "source-value" -4.1835439e+94 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.702776228670454e+75 } }