{ "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" [ [ 1.62041 2.509202 2.566624 ] [ 2.85955 3.94705 0.1409863 ] [ 3.121365 1.927989 0.779992 ] [ 4.065015 5.453159 1.199522 ] [ 3.840762 3.584521 2.337034 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.62041e-10 2.509202e-10 2.566624e-10 ] [ 2.85955e-10 3.94705e-10 1.409863e-11 ] [ 3.121365e-10 1.927989e-10 7.79992e-11 ] [ 4.065015e-10 5.453159000000001e-10 1.199522e-10 ] [ 3.840762e-10 3.584521e-10 2.337034e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1943234 -0.4215048 1.0535277 ] [ -3.2053876 2.5431951 -6.3667398 ] [ 0.0528851 -5.6633558 -0.9137088 ] [ 1.87066 4.52853 -0.0468293 ] [ 2.476166 -0.9868644 6.2737501 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.913517029154367e-09 -6.753251361149798e-10 1.687937450305196e-09 ] [ -5.135597073322222e-09 4.074647731353118e-09 -1.020064165827687e-08 ] [ 8.473127080867008e-11 -9.07369625803208e-09 -1.463922877579223e-09 ] [ 2.997127717465728e-09 7.255504892591424e-09 -7.502880962842943e-11 ] [ 3.967255274419854e-09 -1.581131069579819e-09 1.005165573496166e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.792888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.568993620371287e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8324911 2.3512082 2.8652699 ] [ 3.0359628 4.0657061 -0.522698 ] [ 2.8529625 2.1131105 0.7255795 ] [ 3.9116688 5.3182816 1.2100457 ] [ 3.8740168 3.5736146 2.7459612 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8324911e-10 2.3512082e-10 2.8652699e-10 ] [ 3.0359628e-10 4.0657061e-10 -5.22698e-11 ] [ 2.8529625e-10 2.1131105e-10 7.255795000000001e-11 ] [ 3.9116688e-10 5.3182816e-10 1.2100457e-10 ] [ 3.8740168e-10 3.5736146e-10 2.7459612e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 3.8e-06 6e-06 ] [ 4.8e-06 6.2e-06 -4e-06 ] [ 2.7e-06 5e-07 -1e-07 ] [ -8.1e-06 -2.4e-06 -4.5e-06 ] [ 2.4e-06 -8.1e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.88391791744e-15 6.08827115904e-15 9.6130597248e-15 ] [ 7.69044777984e-15 9.93349504896e-15 -6.4087064832e-15 ] [ 4.32587687616e-15 8.010883104e-16 -1.6021766208e-16 ] [ -1.297763062848e-14 -3.84522388992e-15 -7.2097947936e-15 ] [ 3.84522388992e-15 -1.297763062848e-14 4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.95897 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.916038214284858e-18 } }