{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8550649 -13.5342584 9.9556954 ] [ 4.51249 13.8800956 -14.2322725 ] [ -20.3101385 5.4653173 5.4988827 ] [ 31.3251516 3.3462673 25.7826059 ] [ -9.6724382 -9.1574218 -27.0049115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.38084809604669e-09 -2.168427238834602e-08 1.595078241368611e-08 ] [ 7.229805979593792e-09 2.223836466478895e-08 -2.280261426035477e-08 ] [ -3.254042906990998e-08 8.756403603313779e-09 8.81018130246158e-09 ] [ 5.018842553653571e-08 5.361311235007541e-09 4.130828839628014e-08 ] [ -1.549695435017284e-08 -1.467180711476425e-08 -4.326663785207306e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.7111766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.555902010898003e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8741394 0.2032614 3.0349837 ] [ 1.6136836 2.8161261 1.031798 ] [ -0.3678 1.5879846 1.5404895 ] [ 2.8556238 1.431401 2.5262871 ] [ 1.5997643 0.3792306 0.6902385 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.741394e-11 2.032614e-11 3.0349837e-10 ] [ 1.6136836e-10 2.8161261e-10 1.031798e-10 ] [ -3.678e-11 1.5879846e-10 1.5404895e-10 ] [ 2.8556238e-10 1.431401e-10 2.5262871e-10 ] [ 1.5997643e-10 3.792306e-11 6.902385e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 4e-07 -3.8e-06 ] [ 3.5e-06 1.83e-05 -6.6e-06 ] [ -2.1e-06 -6.9e-06 6.6e-06 ] [ 4.7e-06 -1.3e-06 6.1e-06 ] [ -1.5e-06 -1.05e-05 -2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012455680001e-15 6.408706483200001e-16 -6.08827115904e-15 ] [ 5.6076181728e-15 2.931983216064e-14 -1.057436569728e-14 ] [ -3.36457090368e-15 -1.105501868352e-14 1.057436569728e-14 ] [ 7.53023011776e-15 -2.08282960704e-15 9.77327738688e-15 ] [ -2.4032649312e-15 -1.68228545184e-14 -3.84522388992e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }