{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6977917 0.2559248 0.8783031 ] [ 0.349385 0.3940236 2.698898 ] [ 1.248694 1.36901 2.090768 ] [ 0.3246804 2.316928 0.2892628 ] [ 2.775341 0.8800459 0.0497676 ] [ 2.033969 2.77175 0.0650166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.977917e-11 2.559248e-11 8.783031e-11 ] [ 3.49385e-11 3.940236e-11 2.698898e-10 ] [ 1.248694e-10 1.36901e-10 2.090768e-10 ] [ 3.246804e-11 2.316928e-10 2.892628e-11 ] [ 2.775341e-10 8.800459e-11 4.976760000000001e-12 ] [ 2.033969e-10 2.77175e-10 6.50166e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.5560863 -24.5916447 -25.2288766 ] [ -34.4823794 -34.309144 35.3148615 ] [ 38.4257471 45.0526053 5.5075418 ] [ -20.8238872 5.4820487 -5.0046697 ] [ 9.6558736 -6.8619928 -4.32421 ] [ 15.7807322 15.2281275 -6.264647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.370836143540718e-08 -3.940015820536023e-08 -4.042111625756819e-08 ] [ -5.524686210423553e-08 -5.49693083964606e-08 5.658064546209002e-08 ] [ 6.156483364039341e-08 7.218223091779018e-08 8.82405471003875e-09 ] [ -3.336354522601637e-08 8.783210261227033e-09 -8.01836478816615e-09 ] [ 1.547041493531993e-08 -1.099412443625793e-08 -6.928148165429568e-09 ] [ 2.528352018994575e-08 2.439814985906155e-08 -1.003707096096486e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.356454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.139939833559064e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3471788 -0.152795 0.7742424 ] [ 0.2792209 -0.0244963 3.1985163 ] [ 1.4934269 1.8617328 2.1452259 ] [ 0.3147667 2.1776764 -0.2211318 ] [ 2.5161142 0.8345938 -0.0881236 ] [ 2.4791537 3.2909707 0.2632869 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.471788e-11 -1.52795e-11 7.742424000000001e-11 ] [ 2.792209e-11 -2.44963e-12 3.1985163e-10 ] [ 1.4934269e-10 1.8617328e-10 2.1452259e-10 ] [ 3.147667e-11 2.1776764e-10 -2.211318e-11 ] [ 2.5161142e-10 8.345938e-11 -8.81236e-12 ] [ 2.4791537e-10 3.2909707e-10 2.632869e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.66e-05 1.47e-05 -1.35e-05 ] [ -3.29e-05 1.8e-06 1.39e-05 ] [ 1.11e-05 -1.82e-05 -2.91e-05 ] [ 1e-07 -5.01e-05 3.52e-05 ] [ -3.64e-05 -9.9e-06 -1.4e-06 ] [ 3.15e-05 6.18e-05 -5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.261789811328e-14 2.355199632576e-14 -2.16293843808e-14 ] [ -5.271161082432e-14 2.88391791744e-15 2.227025502912e-14 ] [ 1.778416049088e-14 -2.915961449856e-14 -4.662333966527999e-14 ] [ 1.6021766208e-16 -8.026904870208e-14 5.639661705216e-14 ] [ -5.831922899712e-14 -1.586154854592e-14 -2.24304726912e-15 ] [ 5.04685635552e-14 9.901451516544e-14 -8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.808055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.013382600372054e-18 } }