{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.135802 -4.8594154 -15.6186016 ] [ -4.463141 -1.5353198 21.9224607 ] [ -19.4958131 4.8288323 2.3031766 ] [ 1.0193935 -22.412427 -0.1443962 ] [ 12.963648 1.3252305 -17.4516963 ] [ 0.0069567 21.6184671 -0.788104 ] [ 21.1047579 1.0346323 9.7771608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.784152161825788e-08 -7.78564174463548e-09 -2.502375833310947e-08 ] [ -7.150740165533933e-09 -2.459853489011331e-09 3.51236540039468e-08 ] [ -3.123573595230637e-08 7.736642216823893e-09 3.690095702093633e-09 ] [ 1.633248433095485e-09 -3.590866655478668e-08 -2.31348215772361e-10 ] [ 2.077005374588068e-08 2.123253324271095e-09 -2.796069980516186e-08 ] [ 1.114586209791936e-11 3.463660256515398e-08 -1.262681803558963e-09 ] [ 3.38135496950241e-08 1.657663682184532e-09 1.566473845156223e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 98.550693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.578956162882382e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.5571466 2.0163529 -0.6679544 ] [ 2.3010922 2.7931641 7.5776779 ] [ -1.5220367 4.256687 3.9045612 ] [ 3.4121687 -0.6292268 3.3093469 ] [ 5.8633149 3.4293515 -0.3548842 ] [ 3.2605041 6.9852953 3.0591044 ] [ 7.1286423 3.324782 4.9965653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.571466000000001e-11 2.0163529e-10 -6.679544e-11 ] [ 2.3010922e-10 2.7931641e-10 7.5776779e-10 ] [ -1.5220367e-10 4.256687e-10 3.9045612e-10 ] [ 3.4121687e-10 -6.292268e-11 3.3093469e-10 ] [ 5.8633149e-10 3.4293515e-10 -3.548842e-11 ] [ 3.2605041e-10 6.9852953e-10 3.0591044e-10 ] [ 7.128642300000001e-10 3.324782e-10 4.996565300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ -0.0 -0.0 0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -2.6645353e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.269056162956315e-34 } }