{ "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" [ [ 2.360944 2.643853 2.165766 ] [ 2.694587 4.80447 3.102481 ] [ 4.665525 1.923814 2.374826 ] [ 4.545146 3.928705 1.722535 ] [ 3.943017 3.203445 4.218269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.360944e-10 2.643853e-10 2.165766e-10 ] [ 2.694587e-10 4.80447e-10 3.102481e-10 ] [ 4.665525e-10 1.923814e-10 2.374826e-10 ] [ 4.545146e-10 3.928705e-10 1.722535e-10 ] [ 3.943017e-10 3.203445e-10 4.218269e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6587337 7.6656551 3.8250365 ] [ 5.3135804 -16.1997266 0.7951543 ] [ -3.7577906 1.3075028 4.2207899 ] [ -0.9579919 2.5447854 -0.2085905 ] [ -4.2565316 4.6817833 -8.6323902 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.861937595873081e-09 1.228173338433629e-08 6.12838405400666e-09 ] [ 8.513294289621113e-09 -2.595482322187188e-08 1.273977629388589e-09 ] [ -6.020644245182004e-09 2.094850417790538e-09 6.76245089908877e-09 ] [ -1.534872225095772e-09 4.077195672833176e-09 -3.341988224209825e-10 ] [ -6.819715415216417e-09 7.501043746911874e-09 -1.383061376006303e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9276083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.497075435520034e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3292222 4.1142827 2.2381103 ] [ 1.8538022 3.7360547 3.780284 ] [ 5.7034854 2.7867378 2.7911677 ] [ 6.3547115 2.6604489 0.6921254 ] [ 3.9679978 3.2067629 4.0821896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.292222e-11 4.1142827e-10 2.2381103e-10 ] [ 1.8538022e-10 3.7360547e-10 3.780284e-10 ] [ 5.7034854e-10 2.7867378e-10 2.7911677e-10 ] [ 6.3547115e-10 2.6604489e-10 6.921254e-11 ] [ 3.9679978e-10 3.2067629e-10 4.0821896e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0197595 0.0053609 0.156009 ] [ -0.2487091 0.0596232 -0.1193812 ] [ -0.2058766 0.0544269 0.0428406 ] [ 0.0843057 -0.0243225 0.1392926 ] [ 0.3900396 -0.0950885 -0.2187609 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.16582089386976e-11 8.58910864644672e-12 2.499539724343872e-10 ] [ -3.984759054002093e-10 9.552689709728256e-11 -1.91269767603049e-10 ] [ -3.298506752897933e-10 8.720150672261953e-11 6.863820774104449e-11 ] [ 1.350726215401785e-10 -3.896894085940801e-11 2.231713471704461e-10 ] [ 6.249123283061837e-10 -1.523485716069408e-10 -3.504935995251667e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.999282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.762279246598627e-18 } }