{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2056623 -0.6686237 -0.1551215 ] [ -3.2600709 -2.9583735 1.8163205 ] [ -0.8059359 1.7824459 -2.6985523 ] [ 2.6779337 -0.6232555 -0.426713 ] [ 1.1095714 -0.593221 -0.2037231 ] [ 2.0233953 1.6214581 -1.5291293 ] [ 2.4607686 1.4395698 3.1969187 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.738213867554697e-09 -1.071253269078626e-09 -2.485320427310309e-10 ] [ -5.22320942116335e-09 -4.739836896344799e-09 2.910066264955196e-09 ] [ -1.291251667481761e-09 2.8557931723491e-09 -4.323557440686958e-09 ] [ 4.290522801541166e-09 -9.985653991119868e-10 -6.836695980240419e-10 ] [ 1.777729370834668e-09 -9.50444824998114e-10 -3.264003906260453e-10 ] [ 3.24183667100542e-09 2.597862280830035e-09 -2.449935234824776e-09 ] [ 3.942585952600892e-09 2.306445096572053e-09 5.122028441937655e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.83221406491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.53660034392952e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3351193 1.9161387 1.8335676 ] [ 1.9264165 2.982948 4.480004 ] [ 2.2318083 4.3161093 2.4199648 ] [ 4.5514412 2.4841527 1.1930435 ] [ 4.2157258 1.9554152 3.6779757 ] [ 4.6263949 4.3700258 2.7681238 ] [ 3.9464629 4.0631743 5.1104686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3351193e-10 1.9161387e-10 1.8335676e-10 ] [ 1.9264165e-10 2.982948e-10 4.480004e-10 ] [ 2.2318083e-10 4.3161093e-10 2.4199648e-10 ] [ 4.5514412e-10 2.4841527e-10 1.1930435e-10 ] [ 4.2157258e-10 1.9554152e-10 3.6779757e-10 ] [ 4.6263949e-10 4.3700258e-10 2.7681238e-10 ] [ 3.9464629e-10 4.0631743e-10 5.1104686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.92e-05 -8.6e-06 -2.18e-05 ] [ -0.0001181 -2.32e-05 8.75e-05 ] [ 3.89e-05 3.62e-05 5.6e-06 ] [ 5.99e-05 -5.74e-05 -7.57e-05 ] [ 4.47e-05 -1.78e-05 1.8e-05 ] [ -2.29e-05 6.61e-05 1.89e-05 ] [ 2.68e-05 4.8e-06 -3.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.67835577128e-14 -1.37787190524e-14 -3.492745062119999e-14 ] [ -1.892170604754e-13 -3.71704979088e-14 1.40190455475e-13 ] [ 6.232467106259999e-14 5.799879415079998e-14 8.972189150399999e-15 ] [ 9.597038037659999e-14 -9.196493879159998e-14 -1.212847711938e-13 ] [ 7.16172955398e-14 -2.851874408519999e-14 2.8839179412e-14 ] [ -3.66898449186e-14 1.059038755074e-13 3.02811383826e-14 ] [ 4.293833379119999e-14 7.690447843199998e-15 -5.207074060499999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }