{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0784821 -1.1894294 0.9816268 ] [ -1.3601264 -0.6298265 -1.2956923 ] [ -2.1095809 1.1859111 1.0888491 ] [ 0.3502775 0.2325197 0.5230439 ] [ -1.0715165 0.4803982 -0.4457349 ] [ 1.9568275 -1.1184658 0.5329154 ] [ 0.1556367 1.0388927 -1.3850081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.330095454807251e-09 -1.905675992472639e-09 1.572739522268191e-09 ] [ -2.179162737366537e-09 -1.009093301774001e-09 -2.075927927913718e-09 ] [ -3.37992122551269e-09 1.900039054421237e-09 1.744528585971929e-09 ] [ 5.612064259159349e-10 3.725376302846897e-10 8.380087151362326e-10 ] [ -1.716758699245461e-09 7.696827710556588e-10 -7.141460417383266e-10 ] [ 3.135183297268634e-09 -1.791979770688117e-09 8.538246017787636e-10 ] [ 2.493574841328678e-10 1.664489609173171e-09 -2.219027615720735e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.389721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.427011119397911e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8382947 1.2473947 2.1226732 ] [ 2.2583448 0.3607694 4.2282269 ] [ 2.1991403 2.5130447 5.1547372 ] [ 1.7789733 3.4136478 3.0551326 ] [ 4.154032 1.3750754 1.9923702 ] [ 4.3306225 1.6185047 4.4041385 ] [ 4.0950774 3.527522 2.9185135 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8382947e-10 1.2473947e-10 2.1226732e-10 ] [ 2.2583448e-10 3.607694e-11 4.2282269e-10 ] [ 2.1991403e-10 2.5130447e-10 5.1547372e-10 ] [ 1.7789733e-10 3.4136478e-10 3.0551326e-10 ] [ 4.154032e-10 1.3750754e-10 1.9923702e-10 ] [ 4.3306225e-10 1.6185047e-10 4.4041385e-10 ] [ 4.0950774e-10 3.527522e-10 2.9185135e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.72e-05 -1.17e-05 -2.15e-05 ] [ 2.95e-05 -1.76e-05 1e-05 ] [ -1.58e-05 3.63e-05 2.86e-05 ] [ 2.32e-05 -1.44e-05 -2.89e-05 ] [ -2.61e-05 2.83e-05 -9e-07 ] [ -2.6e-06 -1.85e-05 -9.6e-06 ] [ 9e-06 -2.4e-06 2.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.75574381048e-14 -1.87454666178e-14 -3.4446797631e-14 ] [ 4.726421070299999e-14 -2.81983087584e-14 1.602176634e-14 ] [ -2.53143908172e-14 5.81590118142e-14 4.58222517324e-14 ] [ 3.71704979088e-14 -2.30713435296e-14 -4.63029047226e-14 ] [ -4.18168101474e-14 4.53415987422e-14 -1.4419589706e-15 ] [ -4.165659248399999e-15 -2.9640267729e-14 -1.53808956864e-14 ] [ 1.4419589706e-14 -3.845223921599999e-15 3.572853893819999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }