{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1807841 -2.9942101 -3.055701 ] [ -4.212032 -5.4205559 4.3483432 ] [ 3.6798767 -0.632123 0.1002575 ] [ 1.2747787 7.2808573 -2.2759128 ] [ -3.0344458 14.2893946 7.9004994 ] [ 3.4375007 -5.5771822 1.113028 ] [ -0.9648943 -6.9461806 -8.1305144 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.896480584323693e-10 -4.79725341998323e-09 -4.895772702355181e-09 ] [ -6.748419196461466e-09 -8.684687934719503e-09 6.966813814254659e-09 ] [ 5.895812416166655e-09 -1.012772692069958e-09 1.60630222559856e-10 ] [ 2.042420629833817e-09 1.166521934544101e-08 -3.646414279139466e-09 ] [ -4.861718117844753e-09 2.289413395350577e-08 1.265799543132443e-08 ] [ 5.507483255523635e-09 -8.93563093078191e-09 1.783267439895782e-09 ] [ -1.545931089003181e-09 -1.112900816117452e-08 -1.302652008675774e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.9392646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.432228074926506e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7613102 2.1926259 2.2278944 ] [ 0.5995421 1.6220601 4.3499538 ] [ 2.2159566 1.1954976 5.7853599 ] [ 2.5799114 2.4801751 1.0175167 ] [ 5.4923946 1.6804198 3.5951038 ] [ 4.6851903 2.2496444 1.6255224 ] [ 4.3931799 1.2170196 5.447705 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.613102000000001e-11 2.1926259e-10 2.2278944e-10 ] [ 5.995421e-11 1.6220601e-10 4.3499538e-10 ] [ 2.2159566e-10 1.1954976e-10 5.785359900000001e-10 ] [ 2.5799114e-10 2.4801751e-10 1.0175167e-10 ] [ 5.4923946e-10 1.6804198e-10 3.5951038e-10 ] [ 4.685190300000001e-10 2.2496444e-10 1.6255224e-10 ] [ 4.3931799e-10 1.2170196e-10 5.447705e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0014892 0.0046633 -0.0032046 ] [ 0.0032138 0.0004452 0.0080382 ] [ -0.0099364 -0.0034632 -0.0047663 ] [ 0.0003799 -0.0044905 0.0002615 ] [ -0.0022167 0.0027057 0.0095109 ] [ -0.0024336 -0.0004232 -0.004981 ] [ 0.0095038 0.0005629 -0.0048589 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.38596142369536e-12 7.47143023577664e-12 -5.13433519901568e-12 ] [ 5.149075223927041e-12 7.1328903158016e-13 1.287861611331456e-11 ] [ -1.591986777491712e-11 -5.54865807315456e-12 -7.636454427719041e-12 ] [ 6.086668982419201e-13 -7.1945741157024e-12 4.189691863392e-13 ] [ -3.55154491532736e-12 4.33500928289856e-12 1.523814162276672e-11 ] [ -3.89905702437888e-12 -6.780411459225601e-13 -7.980441748204801e-12 ] [ 1.522676616875904e-11 9.0186521984832e-13 -7.784815982805121e-12 ] ] } "relaxed-potential-energy" { "source-value" -18.217159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.918710624719631e-18 } }