{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3043708 1.5950746 0.971773 ] [ 0.5221353 0.1036257 -0.9660249 ] [ -3.0756711 -1.5379033 1.4815484 ] [ -1.0143686 -1.5716978 0.3444889 ] [ -0.3152423 0.7109507 -0.5178291 ] [ 2.802204 1.0312255 -0.4267807 ] [ -0.2234281 -0.3312754 -0.8871756 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.089832400614193e-09 2.555591232551912e-09 1.556951981324678e-09 ] [ 8.365529705543942e-10 1.660266738540346e-10 -1.547742509890658e-09 ] [ -4.927768329690219e-09 -2.463992712311168e-09 2.373702209063647e-09 ] [ -1.625197655793627e-09 -2.518137470122794e-09 5.519320617051091e-10 ] [ -5.050738429472198e-10 1.139068590081395e-09 -8.296536775899053e-10 ] [ 4.489625735512244e-09 1.65220538687279e-09 -6.837780597486586e-10 ] [ -3.579712782497645e-10 -5.307617009261683e-10 -1.421412004864212e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.242072085572456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.320525520245249e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5769846 0.8819499 2.0495947 ] [ 1.1451563 2.2929899 3.92639 ] [ 1.6429848 3.2223167 1.8237329 ] [ 3.7381693 1.7692205 1.7762499 ] [ 3.1066178 0.932643 3.8819386 ] [ 3.7983387 4.0975396 1.6616787 ] [ 3.2769006 3.2764612 3.7810523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5769846e-10 8.819498999999999e-11 2.0495947e-10 ] [ 1.1451563e-10 2.2929899e-10 3.92639e-10 ] [ 1.6429848e-10 3.2223167e-10 1.8237329e-10 ] [ 3.7381693e-10 1.7692205e-10 1.7762499e-10 ] [ 3.1066178e-10 9.32643e-11 3.8819386e-10 ] [ 3.7983387e-10 4.0975396e-10 1.6616787e-10 ] [ 3.2769006e-10 3.2764612e-10 3.7810523e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.52e-05 2.35e-05 -1.53e-05 ] [ -2.28e-05 -7.2e-06 2.85e-05 ] [ -3.8e-06 6.88e-05 -2.63e-05 ] [ 5.41e-05 2.87e-05 0.0 ] [ 3.5e-05 -5.19e-05 7.82e-05 ] [ -3.68e-05 -3.74e-05 1.61e-05 ] [ -1.04e-05 -2.46e-05 -8.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.435308463616e-14 3.76511505888e-14 -2.451330229824e-14 ] [ -3.652962695424e-14 -1.153567166976e-14 4.56620336928e-14 ] [ -6.08827115904e-15 1.1022975151104e-13 -4.213724512704e-14 ] [ 8.667775518528e-14 4.598246901696e-14 0.0 ] [ 5.6076181728e-14 -8.315296661952001e-14 1.2529021174656e-13 ] [ -5.896009964544001e-14 -5.992140561792e-14 2.579504359488e-14 ] [ -1.666263685632e-14 -3.941354487168e-14 -1.2993652394688e-13 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }