{ "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" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2009412 0.6581459 -1.264609 ] [ 0.3188804 -0.2988406 1.556013 ] [ -1.3848409 -2.1981143 -3.0482744 ] [ 1.2164634 -0.8451369 2.8863102 ] [ 0.0504383 2.6839459 -0.1294398 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.219432927954969e-10 1.054465974055375e-09 -2.026126974253267e-09 ] [ 5.109027217113523e-10 -4.787954226658445e-10 2.49300765026087e-09 ] [ -2.21875971350763e-09 -3.521767341306157e-09 -4.883873977463148e-09 ] [ 1.948989219538879e-09 -1.354058582555387e-09 4.624378722816573e-09 ] [ 8.081106505289664e-11 4.300155372472015e-09 -2.073854213610278e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.176807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.950939549139379e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3061844 2.1705406 0.3367573 ] [ 0.7623235 2.1960132 2.6930004 ] [ 2.2621872 0.8281316 -0.0273864 ] [ 2.7183276 0.8536139 2.3288586 ] [ 2.4360974 2.9108044 1.1388351 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.061844e-11 2.1705406e-10 3.367573e-11 ] [ 7.623235e-11 2.1960132e-10 2.6930004e-10 ] [ 2.2621872e-10 8.281316e-11 -2.73864e-12 ] [ 2.7183276e-10 8.536139e-11 2.3288586e-10 ] [ 2.4360974e-10 2.9108044e-10 1.1388351e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.9e-06 -6.4e-06 -3.6e-06 ] [ 3.4e-06 1.15e-05 -4.1e-06 ] [ -5.9e-06 3.2e-06 2.4e-06 ] [ 6.2e-06 -9.6e-06 -3.4e-06 ] [ -1.17e-05 1.4e-06 8.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.265719530432e-14 -1.025393037312e-14 -5.76783583488e-15 ] [ 5.44740051072e-15 1.84250311392e-14 -6.568924145279999e-15 ] [ -9.45284206272e-15 5.126965186560001e-15 3.84522388992e-15 ] [ 9.93349504896e-15 -1.538089555968e-14 -5.44740051072e-15 ] [ -1.874546646336e-14 2.24304726912e-15 1.409915426304e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }