{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7373885 -22.1830427 -3.849709 ] [ -39.2985361 4.7659711 -44.0400643 ] [ -11.5812707 16.2497459 28.5120365 ] [ 0.2756961 -2.9304581 -7.4379555 ] [ 10.4490836 -58.4168966 24.7091794 ] [ 43.8924155 62.5146804 2.1065129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.987956526880307e-09 -3.554115268496427e-08 -6.167913807499506e-09 ] [ -6.296319628982548e-08 7.635927534739276e-09 -7.055996198131755e-08 ] [ -1.855524130756882e-08 2.60349631894173e-08 4.568131866805514e-08 ] [ 4.417138495049273e-10 -4.695111494736035e-09 -1.191691850683178e-08 ] [ 1.67412775906326e-08 -9.359418676331403e-08 3.958846987999413e-08 ] [ 7.032340252391942e-08 1.001595602188578e-07 3.375005747599578e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 26.430321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.234604273531951e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2351641 0.487837 2.6939283 ] [ 1.0100627 2.0531992 0.9339687 ] [ 1.1215445 2.6780574 3.4130218 ] [ 3.3288118 1.4827969 0.2658874 ] [ 2.6870595 0.836656 2.5721728 ] [ 3.0213048 3.2890319 1.92202 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.351641e-11 4.87837e-11 2.6939283e-10 ] [ 1.0100627e-10 2.0531992e-10 9.339687e-11 ] [ 1.1215445e-10 2.6780574e-10 3.4130218e-10 ] [ 3.3288118e-10 1.4827969e-10 2.658874e-11 ] [ 2.6870595e-10 8.36656e-11 2.5721728e-10 ] [ 3.0213048e-10 3.2890319e-10 1.92202e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 2.6e-06 1.1e-05 ] [ 1.84e-05 -4.9e-06 -1.98e-05 ] [ 8.4e-06 -1.1e-05 2.18e-05 ] [ 4.5e-06 -7.5e-06 1.5e-06 ] [ -2.33e-05 -2.45e-05 -3.8e-06 ] [ -5.1e-06 4.53e-05 -1.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6463122386e-15 4.165659248399999e-15 1.7623942974e-14 ] [ 2.94800500656e-14 -7.850665506599998e-15 -3.17230973532e-14 ] [ 1.34582837256e-14 -1.7623942974e-14 3.492745062119999e-14 ] [ 7.209794853e-15 -1.2016324755e-14 2.403264951e-15 ] [ -3.733071557219999e-14 -3.925332753299999e-14 -6.088271209199999e-15 ] [ -8.1711008334e-15 7.25786015202e-14 -1.71432899838e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.045537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891213772938245e-18 } }