{ "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" [ [ 0.8089267 0.144273 0.3085018 ] [ 0.0391703 1.366973 2.60492 ] [ 1.362051 2.292395 1.899207 ] [ 2.93764 0.2840218 0.2571454 ] [ 1.745173 0.2602682 2.163878 ] [ 2.951376 1.632187 2.170679 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.089267000000001e-11 1.44273e-11 3.085018e-11 ] [ 3.91703e-12 1.366973e-10 2.60492e-10 ] [ 1.362051e-10 2.292395e-10 1.899207e-10 ] [ 2.93764e-10 2.840218e-11 2.571454e-11 ] [ 1.745173e-10 2.602682e-11 2.163878e-10 ] [ 2.951376e-10 1.632187e-10 2.170679e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8935948 -1.0405703 -4.2453954 ] [ -10.0460383 -2.0909379 4.1470118 ] [ -3.1800448 12.8451334 -4.6403177 ] [ 3.7700397 -0.60666 -2.5901103 ] [ -0.5415704 -12.9286775 4.9957809 ] [ 14.8912086 3.8217124 2.3330307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.840403180228452e-09 -1.667177406958842e-09 -6.801873255931863e-09 ] [ -1.609552769592138e-08 -3.350051818924649e-09 6.644245352141725e-09 ] [ -5.094993431656612e-09 2.058017242453722e-08 -7.434608532024428e-09 ] [ 6.040269466827846e-09 -9.71976468774528e-10 -4.149814167953275e-09 ] [ -8.676914333973043e-10 -2.071402482836299e-08 8.004123360619183e-09 ] [ 2.38583462743759e-08 6.123058258701459e-09 3.737927243148658e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7941022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.569188156656585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6278087 0.9721882 0.0589826 ] [ 0.0286649 0.7852729 2.3788419 ] [ 1.1629553 2.74977 1.5852461 ] [ 2.6962771 -0.0393033 0.5117296 ] [ 2.0971694 -0.2261364 2.831606 ] [ 3.2314615 1.7383266 2.037925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.278087e-11 9.721881999999999e-11 5.898260000000001e-12 ] [ 2.86649e-12 7.852729000000001e-11 2.3788419e-10 ] [ 1.1629553e-10 2.74977e-10 1.5852461e-10 ] [ 2.6962771e-10 -3.93033e-12 5.117296000000001e-11 ] [ 2.0971694e-10 -2.261364e-11 2.831606e-10 ] [ 3.2314615e-10 1.7383266e-10 2.037925e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-07 -9.2e-06 2e-06 ] [ 1.9e-06 4.3e-06 8.5e-06 ] [ 2.2e-06 2.8e-06 -9.5e-06 ] [ 2e-07 1.32e-05 6.5e-06 ] [ 1.2e-06 -5e-07 -1.45e-05 ] [ -5.4e-06 -1.07e-05 7.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-16 -1.474002491136e-14 3.2043532416e-15 ] [ 3.04413557952e-15 6.889359469440001e-15 1.36185012768e-14 ] [ 3.52478856576e-15 4.48609453824e-15 -1.52206778976e-14 ] [ 3.2043532416e-16 2.114873139456e-14 1.04141480352e-14 ] [ 1.92261194496e-15 -8.010883104e-16 -2.32315610016e-14 ] [ -8.65175375232e-15 -1.714328984256e-14 1.137545400768e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.411418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27026967169763e-18 } }