{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2619605 -10.7664131 -8.9602019 ] [ 0.536207 -0.2133309 0.6286213 ] [ -7.0971021 -2.4424478 -4.8708702 ] [ -12.2475995 -14.3179876 20.6017978 ] [ 5.4219692 27.3146718 -9.9167424 ] [ 2.3227172 2.6730271 -4.9849891 ] [ 16.3257686 -2.2475193 7.5023844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.430590162130955e-09 -1.72496955008115e-08 -1.43558261201024e-08 ] [ 8.59098326387238e-10 -3.417937832901905e-10 1.007162358494704e-09 ] [ -1.137081115373233e-08 -3.913232794924705e-09 -7.803994421686905e-09 ] [ -1.962281774149008e-08 -2.293994517862174e-08 3.300771905355261e-08 ] [ 8.686952362507673e-09 4.376292892333871e-08 -1.588837295867708e-08 ] [ 3.721403225229905e-09 4.282661561668781e-09 -7.98683305676469e-09 ] [ 2.615676498301089e-08 -3.600922906924036e-09 1.202014498496611e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.590655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.857027661375527e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4961036 0.6438577 2.7154647 ] [ 2.8574223 2.3450991 0.8719239 ] [ 0.9732378 2.7999326 2.5048372 ] [ 2.2688559 2.3093722 4.7615747 ] [ 2.5640101 4.4955116 3.5137333 ] [ 4.4790795 3.6226398 2.2245328 ] [ 4.5302438 1.7117199 3.785687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4961036e-10 6.438577e-11 2.7154647e-10 ] [ 2.8574223e-10 2.3450991e-10 8.719239e-11 ] [ 9.732378e-11 2.7999326e-10 2.5048372e-10 ] [ 2.2688559e-10 2.3093722e-10 4.7615747e-10 ] [ 2.5640101e-10 4.495511600000001e-10 3.5137333e-10 ] [ 4.4790795e-10 3.6226398e-10 2.2245328e-10 ] [ 4.5302438e-10 1.7117199e-10 3.785687e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 4.5e-06 2.15e-05 ] [ 6e-06 1.88e-05 -2.6e-06 ] [ -5.6e-06 -1.47e-05 -1.29e-05 ] [ -6.1e-06 2e-06 -1.4e-06 ] [ 2.25e-05 -2e-07 1.8e-06 ] [ -2.19e-05 -1.82e-05 1.25e-05 ] [ -1.1e-06 7.7e-06 -1.89e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.9334951308e-15 7.209794853e-15 3.4446797631e-14 ] [ 9.613059803999999e-15 3.012092071919999e-14 -4.165659248399999e-15 ] [ -8.972189150399999e-15 -2.35519965198e-14 -2.06680785786e-14 ] [ -9.773277467399999e-15 3.204353268e-15 -2.2430472876e-15 ] [ 3.6048974265e-14 -3.204353268e-16 2.8839179412e-15 ] [ -3.50876682846e-14 -2.915961473879999e-14 2.0027207925e-14 ] [ -1.7623942974e-15 1.23367600818e-14 -3.02811383826e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }