{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5325569 -1.1853813 -1.9918721 ] [ 0.3157728 0.0328778 -1.2459001 ] [ -2.8561187 -2.536595 0.3181847 ] [ -0.0455905 -0.0671885 0.0117246 ] [ 2.2447313 -0.8560258 1.3541122 ] [ 0.5648254 1.8326223 -0.0952542 ] [ 1.3089367 2.7796904 1.649005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.455426855455474e-09 -1.899190221240544e-09 -3.191330936536511e-09 ] [ 5.059238018127552e-10 5.267604293732519e-11 -1.996152028518263e-09 ] [ -4.576006645070456e-09 -4.06407323892123e-09 5.097880916362998e-10 ] [ -7.3044033832377e-11 -1.07647844773509e-10 1.87848801629964e-11 ] [ 3.596456038468444e-09 -1.371504534861157e-09 2.169526926654335e-09 ] [ 9.049500581697035e-10 2.936184628007338e-09 -1.526140535303628e-10 ] [ 2.097147796125068e-09 4.453555008634112e-09 2.64199728034917e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.243718005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.762748207212263e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1322118 1.7004107 1.5128364 ] [ 1.7143118 3.0918975 4.9435322 ] [ 1.5535661 1.3380067 3.2929744 ] [ 0.94306 3.5945959 2.7207415 ] [ 3.923187 1.1806495 3.7247569 ] [ 3.0870173 4.0024834 1.893815 ] [ 3.8240711 3.4746673 4.0573316 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1322118e-10 1.7004107e-10 1.5128364e-10 ] [ 1.7143118e-10 3.0918975e-10 4.9435322e-10 ] [ 1.5535661e-10 1.3380067e-10 3.2929744e-10 ] [ 9.4306e-11 3.5945959e-10 2.7207415e-10 ] [ 3.923187e-10 1.1806495e-10 3.7247569e-10 ] [ 3.0870173e-10 4.0024834e-10 1.893815e-10 ] [ 3.8240711e-10 3.4746673e-10 4.057331600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.81e-05 8.1e-06 8.25e-05 ] [ -6.7e-06 -7.5e-06 3.6e-06 ] [ -4.8e-06 1.26e-05 9.3e-06 ] [ 2.43e-05 -1.78e-05 -5.6e-06 ] [ -1.64e-05 1.3e-06 -5.2e-05 ] [ -1.36e-05 2.61e-05 -3.95e-05 ] [ -1e-06 -2.27e-05 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.899939707539999e-14 1.29776307354e-14 1.32179572305e-13 ] [ -1.07345834478e-14 -1.2016324755e-14 5.767835882399999e-15 ] [ -7.690447843199998e-15 2.01874255884e-14 1.49002426962e-14 ] [ 3.893289220619999e-14 -2.851874408519999e-14 -8.972189150399999e-15 ] [ -2.62756967976e-14 2.0828296242e-15 -8.331318496799998e-14 ] [ -2.17896022224e-14 4.18168101474e-14 -6.328597704299999e-14 ] [ -1.602176634e-15 -3.636940959179999e-14 2.5634826144e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }