{ "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" [ [ 0.2100786 2.6915 2.714596 ] [ 1.703066 0.0721581 0.1101228 ] [ 2.026091 1.413329 2.796162 ] [ 1.827772 0.0799437 1.500255 ] [ 2.628484 2.60871 0.5510999 ] [ 1.843839 2.957574 1.991142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.100786e-11 2.6915e-10 2.714596e-10 ] [ 1.703066e-10 7.215810000000001e-12 1.101228e-11 ] [ 2.026091e-10 1.413329e-10 2.796162e-10 ] [ 1.827772e-10 7.99437e-12 1.500255e-10 ] [ 2.628484e-10 2.60871e-10 5.510999e-11 ] [ 1.843839e-10 2.957574e-10 1.991142e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.1073381 0.0321123 7.988967 ] [ -6.2878281 0.3963934 -74.9743651 ] [ 7.6957768 -15.4891816 23.2360407 ] [ 1.5513559 -41.455901 65.7315672 ] [ 18.2281764 4.566099 -32.7062031 ] [ 0.9198571 51.9504779 10.7239932 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.541986025194109e-08 5.144957630011585e-11 1.279973615174271e-08 ] [ -1.007421117742928e-08 6.350922381194226e-10 -1.201221749225435e-07 ] [ 1.232999366785504e-08 -2.481640463484554e-08 3.722824116949726e-08 ] [ 2.485546153520143e-09 -6.641967537639933e-08 1.053135802163841e-07 ] [ 2.920475806789831e-08 7.31569706605826e-09 -5.240111396195649e-08 ] [ 1.473773540096888e-09 8.323384113076709e-08 1.718173118665818e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.954216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.119629781119329e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0449493 3.0322932 3.2658085 ] [ 2.3057913 0.2551374 -0.3551554 ] [ 1.6591709 1.2066566 3.2904894 ] [ 1.8472516 -0.5414205 1.7685847 ] [ 2.4232224 2.5633187 -0.2387372 ] [ 2.0488437 3.3072294 1.9323877 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.49493e-12 3.0322932e-10 3.2658085e-10 ] [ 2.3057913e-10 2.551374e-11 -3.551554e-11 ] [ 1.6591709e-10 1.2066566e-10 3.2904894e-10 ] [ 1.8472516e-10 -5.414205e-11 1.7685847e-10 ] [ 2.4232224e-10 2.5633187e-10 -2.387372e-11 ] [ 2.0488437e-10 3.3072294e-10 1.9323877e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.15e-05 -3e-07 1.75e-05 ] [ 2.52e-05 -5.8e-06 -3.29e-05 ] [ -1.81e-05 -2.9e-06 -4.29e-05 ] [ -6.6e-06 1.14e-05 3.95e-05 ] [ -2.18e-05 4.1e-06 4.82e-05 ] [ 9.8e-06 -6.6e-06 -2.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.84250311392e-14 -4.8065298624e-16 2.8038090864e-14 ] [ 4.037485084416e-14 -9.292624400640001e-15 -5.271161082432e-14 ] [ -2.899939683648e-14 -4.646312200320001e-15 -6.873337703232e-14 ] [ -1.057436569728e-14 1.826481347712e-14 6.32859765216e-14 ] [ -3.492745033344e-14 6.568924145279999e-15 7.722491312256001e-14 ] [ 1.570133088384e-14 -1.057436569728e-14 -4.710399265152e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.74192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.361915956970394e-18 } }