{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1120502 -2.5878298 -4.3421697 ] [ -2.641819 4.2394726 -1.9806464 ] [ -0.355594 -1.1938061 2.2969815 ] [ 0.9355017 -2.0169843 2.7069874 ] [ 3.2565499 -0.6571276 -2.3425844 ] [ 1.9174116 2.2162751 3.6614316 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.986054114275027e-09 -4.146160438328893e-09 -6.956922834202789e-09 ] [ -4.232660673057245e-09 6.792383940203227e-09 -3.173345382296217e-09 ] [ -5.69724397990596e-10 -1.912688238946667e-09 3.68017008803027e-09 ] [ 1.498838964807278e-09 -3.231565116604846e-09 4.337071960812411e-09 ] [ 5.217568157235037e-09 -1.052834486276498e-09 -3.753233988852909e-09 ] [ 3.072032063280554e-09 3.550864179736013e-09 5.866260156509234e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.67382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.351005153552188e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8554346 1.2204155 -0.1774502 ] [ 0.1052025 3.0111346 1.0927517 ] [ 0.6998393 1.8487091 3.0827458 ] [ 1.4500684 0.0579892 1.8125441 ] [ 3.0340377 1.4784062 0.7456057 ] [ 2.2838063 3.2691275 2.0158048 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.554346e-11 1.2204155e-10 -1.774502e-11 ] [ 1.052025e-11 3.0111346e-10 1.0927517e-10 ] [ 6.998393000000001e-11 1.8487091e-10 3.0827458e-10 ] [ 1.4500684e-10 5.79892e-12 1.8125441e-10 ] [ 3.0340377e-10 1.4784062e-10 7.456057e-11 ] [ 2.2838063e-10 3.2691275e-10 2.0158048e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 7e-07 1.9e-06 ] [ 2.2e-06 -5e-07 -1.3e-06 ] [ -2.3e-06 2.8e-06 5e-07 ] [ 2.1e-06 -2.2e-06 -0.0 ] [ -6e-07 2.1e-06 -2.1e-06 ] [ -4e-07 -3e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2817413072e-15 1.1215236438e-15 3.0441356046e-15 ] [ 3.5247885948e-15 -8.010883169999999e-16 -2.0828296242e-15 ] [ -3.685006258199999e-15 4.486094575199999e-15 8.010883169999999e-16 ] [ 3.364570931399999e-15 -3.5247885948e-15 0.0 ] [ -9.613059803999998e-16 3.364570931399999e-15 -3.364570931399999e-15 ] [ -6.408706536e-16 -4.806529901999999e-15 1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031399002736e-18 } }