{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5525217 2.8513006 1.2324842 ] [ 1.2815306 0.5737972 -1.5540868 ] [ -5.8606655 -2.3416417 3.2919995 ] [ -0.3970455 -2.1492122 1.0031024 ] [ -0.5343167 1.1917056 -0.5775286 ] [ 4.9133352 1.0568565 -0.1604306 ] [ -0.9553597 -1.1828059 -3.2355401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.487413971024672e-09 4.568287160193013e-09 1.974657370745391e-09 ] [ 2.053238366159796e-09 9.193244589205018e-10 -2.489921537653885e-09 ] [ -9.389821246429142e-09 -3.751723586030368e-09 5.27436463458529e-09 ] [ -6.361370174938464e-10 -3.443417539978134e-09 1.60714721354837e-09 ] [ -8.560697248430073e-10 1.909322851196436e-09 -9.253028207633548e-10 ] [ 7.872030787593691e-09 1.693270775840515e-09 -2.570381565809165e-10 ] [ -1.530654975794502e-09 -1.895063959924303e-09 -5.183906703880894e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.637761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.428057452545804e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6639575 1.2584344 1.7110003 ] [ 1.1695541 2.0153738 3.8480717 ] [ 1.4335718 3.5572713 2.0922466 ] [ 3.9481484 1.5879176 2.0541858 ] [ 3.2004408 0.9759576 4.139874 ] [ 3.6377747 3.7896262 1.3760382 ] [ 3.2317048 3.2885398 3.6792204 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6639575e-10 1.2584344e-10 1.7110003e-10 ] [ 1.1695541e-10 2.0153738e-10 3.8480717e-10 ] [ 1.4335718e-10 3.5572713e-10 2.0922466e-10 ] [ 3.9481484e-10 1.5879176e-10 2.0541858e-10 ] [ 3.2004408e-10 9.759576e-11 4.139874e-10 ] [ 3.6377747e-10 3.7896262e-10 1.3760382e-10 ] [ 3.231704800000001e-10 3.2885398e-10 3.6792204e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 1.59e-05 6.56e-05 ] [ 2.5e-05 -2.46e-05 2.47e-05 ] [ -6.96e-05 1.41e-05 -5.8e-05 ] [ 7.71e-05 1.86e-05 4.4e-05 ] [ -7.52e-05 4.2e-05 -0.0001349 ] [ -3.5e-06 -4.41e-05 -4.82e-05 ] [ 4.81e-05 -2.2e-05 0.0001068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-15 2.547460827072e-14 1.0510278632448e-13 ] [ 4.005441552e-14 -3.941354487168e-14 3.957376253376001e-14 ] [ -1.1151149280768e-13 2.259069035328e-14 -9.29262440064e-14 ] [ 1.2352781746368e-13 2.980048514688e-14 7.04957713152e-14 ] [ -1.2048368188416e-13 6.72914180736e-14 -2.1613362614592e-13 ] [ -5.6076181728e-15 -7.065598897728e-14 -7.722491312256001e-14 ] [ 7.706469546047999e-14 -3.52478856576e-14 1.7111246310144e-13 ] ] } "relaxed-potential-energy" { "source-value" -30.235906 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.844326170190644e-18 } }