{ "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" [ [ -3.3084536 -15.7180662 -25.5537658 ] [ -18.4628339 -16.0794564 23.2002796 ] [ 23.8418823 28.9020644 3.38066 ] [ -13.0131467 0.0386707 -0.6791235 ] [ 1.2882222 -4.1360117 0.6375822 ] [ 9.6543298 6.9927991 -0.9856327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.300727008921595e-09 -2.51831181898267e-08 -4.094164613815861e-08 ] [ -2.958072082829369e-08 -2.576212911925294e-08 3.717094557114317e-08 ] [ 3.819890641692533e-08 4.630621187453598e-08 5.416414414873729e-09 ] [ -2.084935940578067e-08 6.195729144997057e-11 -1.088075794335869e-09 ] [ 2.063959491235542e-09 -6.626621249095264e-09 1.02151929467823e-09 ] [ 1.546794149505274e-08 1.120369923197128e-08 -1.57915766863598e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.10023166950932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.098888490795159e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6121277 0.3198111 -0.1684135 ] [ 0.6049403 0.3351244 2.2015716 ] [ 1.864492 2.3427476 2.1924213 ] [ -0.1813027 2.2218755 1.0019408 ] [ 2.657922 0.4406828 1.0220577 ] [ 1.8716818 2.3274409 -0.1775619 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.121277000000001e-11 3.198111e-11 -1.684135e-11 ] [ 6.049403e-11 3.351244e-11 2.2015716e-10 ] [ 1.864492e-10 2.3427476e-10 2.1924213e-10 ] [ -1.813027e-11 2.2218755e-10 1.0019408e-10 ] [ 2.657922e-10 4.406828e-11 1.0220577e-10 ] [ 1.8716818e-10 2.3274409e-10 -1.775619e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.1e-06 1.05e-05 -1.81e-05 ] [ 3.1e-06 -9.5e-06 -3.9e-06 ] [ 3.2e-06 -2.1e-06 -0.0 ] [ 8.1e-06 5.6e-06 1.46e-05 ] [ -6.6e-06 1.51e-05 2.4e-05 ] [ -1.09e-05 -1.95e-05 -1.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.96674752448e-15 1.68228545184e-14 -2.899939683648e-14 ] [ 4.96674752448e-15 -1.52206778976e-14 -6.24848882112e-15 ] [ 5.126965186560001e-15 -3.36457090368e-15 0.0 ] [ 1.297763062848e-14 8.972189076479999e-15 2.339177866368e-14 ] [ -1.057436569728e-14 2.419286697408e-14 3.84522388992e-14 ] [ -1.746372516672e-14 -3.12424441056e-14 -2.659613190528e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }