{ "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" [ [ 1.939068 2.794248 2.067966 ] [ 1.448231 2.940333 4.223978 ] [ 1.5948 5.060325 2.938211 ] [ 4.644526 2.195179 2.001544 ] [ 4.236112 3.084417 4.332379 ] [ 3.905251 4.388461 2.479334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.939068e-10 2.794248e-10 2.067966e-10 ] [ 1.448231e-10 2.940333e-10 4.223978e-10 ] [ 1.5948e-10 5.060325e-10 2.938211e-10 ] [ 4.644526e-10 2.195179e-10 2.001544e-10 ] [ 4.236112000000001e-10 3.084417e-10 4.332379e-10 ] [ 3.905251e-10 4.388461e-10 2.479334e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.3005748 -10.7698906 -32.5200434 ] [ -6.0440075 -2.766466 32.348674 ] [ -3.2577396 11.4276162 0.0494661 ] [ 0.7974702 -11.1450978 -7.4435934 ] [ 0.3426285 -6.636092 18.0072067 ] [ -0.1389263 19.8899303 -10.4417099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.329898688376164e-08 -1.725526692789368e-08 -5.210285324288134e-08 ] [ -9.683567512439855e-09 -4.432367147438093e-09 5.182828919668083e-08 ] [ -5.219474223774344e-09 1.830905950711533e-08 7.925342894215488e-11 ] [ 1.2776881102247e-09 -1.785641513168952e-08 -1.192595132022118e-08 ] [ 5.489513723197728e-10 -1.063219145587791e-08 2.885072558065312e-08 ] [ -2.22584469874247e-10 3.186718131600153e-08 -1.67294634829559e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.799104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.890424857518776e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0177063 2.7252445 1.7777637 ] [ 1.6388855 2.9639326 4.3966997 ] [ 1.4229916 5.1262341 2.9235999 ] [ 4.528994 2.0234223 2.0399484 ] [ 4.2041915 2.9653936 4.4688105 ] [ 3.9552191 4.6587359 2.4365898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0177063e-10 2.7252445e-10 1.7777637e-10 ] [ 1.6388855e-10 2.9639326e-10 4.3966997e-10 ] [ 1.4229916e-10 5.1262341e-10 2.9235999e-10 ] [ 4.528994e-10 2.0234223e-10 2.0399484e-10 ] [ 4.2041915e-10 2.9653936e-10 4.4688105e-10 ] [ 3.9552191e-10 4.6587359e-10 2.4365898e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.38e-05 2.06e-05 -4.24e-05 ] [ -6.6e-06 -4.33e-05 1.75e-05 ] [ 4.5e-05 -3e-06 2.18e-05 ] [ 2.08e-05 8.4e-06 3.2e-05 ] [ -1.24e-05 4.09e-05 -1.1e-06 ] [ -3e-06 -2.35e-05 -2.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.017533599104001e-14 3.300483838848e-14 -6.793228872192001e-14 ] [ -1.057436569728e-14 -6.937424768064e-14 2.8038090864e-14 ] [ 7.209794793600001e-14 -4.8065298624e-15 3.492745033344e-14 ] [ 3.332527371264e-14 1.345828361472e-14 5.12696518656e-14 ] [ -1.986699009792e-14 6.552902379072e-14 -1.76239428288e-15 ] [ -4.8065298624e-15 -3.76511505888e-14 -4.470072772032e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.70725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.31766718310608e-18 } }