{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5801322 -0.1617014 -0.2206648 ] [ -0.9776304 0.6359268 0.8469676 ] [ -3.7680316 0.3858719 1.8520173 ] [ -1.7401302 -4.664125 -2.44853 ] [ 0.6206097 0.1582569 1.2886869 ] [ 4.4660568 3.2269413 -2.3087945 ] [ 1.979258 0.4188295 0.9903174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.294742478132698e-10 -2.590742026306291e-10 -3.535439835935078e-10 ] [ -1.566336570663352e-09 1.018867051500158e-09 1.356991687295086e-09 ] [ -6.037052135955618e-09 6.182349368036756e-10 2.96725881937714e-09 ] [ -2.787995923588028e-09 -7.4727520314888e-09 -3.922977521327424e-09 ] [ 9.94326351981702e-10 2.535555052602835e-10 2.064704022711227e-09 ] [ 7.155411792124862e-09 5.170129907553959e-09 -3.699096570131626e-09 ] [ 3.171120894131366e-09 6.710388330013537e-10 1.586663385451442e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.830258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.016939913123217e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6990554 0.7912964 3.7055718 ] [ 1.6554031 3.0395088 3.7903488 ] [ 1.8043572 5.2600995 3.012725 ] [ 3.1901778 2.3745441 1.9559815 ] [ 3.603325 2.4665047 5.1514297 ] [ 3.8265084 4.7122246 1.9987398 ] [ 4.9956581 3.1817965 3.3915255 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6990554e-10 7.912964e-11 3.7055718e-10 ] [ 1.6554031e-10 3.0395088e-10 3.7903488e-10 ] [ 1.8043572e-10 5.2600995e-10 3.012725e-10 ] [ 3.1901778e-10 2.3745441e-10 1.9559815e-10 ] [ 3.603325e-10 2.4665047e-10 5.151429699999999e-10 ] [ 3.8265084e-10 4.712224600000001e-10 1.9987398e-10 ] [ 4.9956581e-10 3.1817965e-10 3.391525500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.1e-06 -1.6e-06 -3.7e-06 ] [ -1.29e-05 1.29e-05 1.18e-05 ] [ 6.6e-06 -2.33e-05 -3.2e-06 ] [ 1.07e-05 8.4e-06 -1.18e-05 ] [ 1.02e-05 6.6e-06 -1.7e-06 ] [ 1e-07 -9.2e-06 9.5e-06 ] [ -5.5e-06 6.3e-06 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.457980724928e-14 -2.56348259328e-15 -5.928053496960001e-15 ] [ -2.066807840832e-14 2.066807840832e-14 1.890568412544e-14 ] [ 1.057436569728e-14 -3.733071526464e-14 -5.126965186560001e-15 ] [ 1.714328984256e-14 1.345828361472e-14 -1.890568412544e-14 ] [ 1.634220153216e-14 1.057436569728e-14 -2.72370025536e-15 ] [ 1.6021766208e-16 -1.474002491136e-14 1.52206778976e-14 ] [ -8.8119714144e-15 1.009371271104e-14 -1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.612373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.462683874060916e-18 } }