{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1299651 0.7683797 -2.7544959 ] [ -1.9149791 -5.6216108 -1.484235 ] [ -5.5798138 3.8445331 2.3083794 ] [ -18.9980253 6.6388453 -1.8967769 ] [ 5.1442774 -6.4855038 5.4397759 ] [ 9.5640737 -16.7828136 -17.7520588 ] [ 11.9144321 17.6381702 16.1394114 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.082270464554734e-10 1.23108000137993e-09 -4.4131889694288e-09 ] [ -3.068134768618349e-09 -9.006813469202047e-09 -2.37800663636499e-09 ] [ -8.939847292430748e-09 6.159621101459585e-09 3.698431537086939e-09 ] [ -3.043819222780084e-08 1.063660281640072e-08 -3.038971629090954e-09 ] [ 8.242041049094271e-09 -1.039092264807821e-08 8.71548184117632e-09 ] [ 1.532333540799393e-08 -2.688903180269742e-08 -2.844193381475408e-08 ] [ 1.908902471799955e-08 2.82594641609551e-08 2.585818783159323e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8098312 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.091055243012418e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0607849 3.0961676 1.1736148 ] [ 0.8573095 1.2320168 2.3878118 ] [ 1.4245691 2.7138523 4.3580303 ] [ 1.4876896 4.7230488 2.9351634 ] [ 3.8773309 2.9560003 4.2984656 ] [ 4.3379052 2.3996622 1.9121992 ] [ 3.7049988 5.449765 3.9123081 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0607849e-10 3.0961676e-10 1.1736148e-10 ] [ 8.573095e-11 1.2320168e-10 2.3878118e-10 ] [ 1.4245691e-10 2.7138523e-10 4.3580303e-10 ] [ 1.4876896e-10 4.7230488e-10 2.9351634e-10 ] [ 3.8773309e-10 2.9560003e-10 4.298465600000001e-10 ] [ 4.3379052e-10 2.3996622e-10 1.9121992e-10 ] [ 3.7049988e-10 5.449765e-10 3.9123081e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-06 2.34e-05 7e-06 ] [ -1.51e-05 -1.6e-06 9.8e-06 ] [ -1.3e-06 3.6e-06 3.7e-06 ] [ -4.8e-06 -1.55e-05 -7.9e-06 ] [ 3.3e-06 -2.11e-05 -6.7e-06 ] [ 2.04e-05 -1.2e-05 -5.4e-06 ] [ -1.07e-05 2.32e-05 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.31378483988e-14 3.749093323559999e-14 1.1215236438e-14 ] [ -2.41928671734e-14 -2.5634826144e-15 1.57013310132e-14 ] [ -2.0828296242e-15 5.767835882399999e-15 5.9280535458e-15 ] [ -7.690447843199998e-15 -2.4833737827e-14 -1.26571954086e-14 ] [ 5.2871828922e-15 -3.38059269774e-14 -1.07345834478e-14 ] [ 3.26844033336e-14 -1.9226119608e-14 -8.6517538236e-15 ] [ -1.71432899838e-14 3.71704979088e-14 -8.010883169999999e-16 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735037903988e-18 } }