{ "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" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -48.028376 -20.8478295 -5.9146542 ] [ -0.1279527 -0.6414047 0.5305432 ] [ 0.2370933 6.6395525 -8.9052517 ] [ -11.9248005 -6.1137441 21.9050123 ] [ 43.8260318 8.1180028 7.2307121 ] [ 16.018004 12.8454229 -14.8463617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.694994116219184e-08 -3.340190501932456e-08 -9.47632067935653e-09 ] [ -2.050028245082362e-10 -1.027643614811238e-09 8.500239113644186e-10 ] [ 3.798653422083206e-10 1.063773578807419e-08 -1.426778607607946e-08 ] [ -1.910563656880415e-08 -9.795297862573937e-09 3.509569858539644e-08 ] [ 7.021704353239735e-08 1.300647429374894e-08 1.158487787835567e-08 ] [ 2.566367152068089e-08 2.058063625466894e-08 -2.378649361968054e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.9592332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.34339086933517e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6142876 0.0808282 0.5226624 ] [ 0.2843273 -0.0136917 2.8062006 ] [ 1.0214902 2.4652773 0.712292 ] [ 0.579453 2.2394733 2.9901307 ] [ 2.8972965 0.6836403 0.202985 ] [ 3.3372323 2.9630584 0.6398516 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.142876000000001e-11 8.08282e-12 5.226624e-11 ] [ 2.843273e-11 -1.36917e-12 2.8062006e-10 ] [ 1.0214902e-10 2.4652773e-10 7.122920000000001e-11 ] [ 5.79453e-11 2.2394733e-10 2.9901307e-10 ] [ 2.8972965e-10 6.836403e-11 2.02985e-11 ] [ 3.3372323e-10 2.9630584e-10 6.398516e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.52e-05 2.19e-05 5.1e-06 ] [ 4.46e-05 -8.3e-06 -7.6e-06 ] [ 5.81e-05 -5.05e-05 -5.17e-05 ] [ -3.6e-05 1.22e-05 3.66e-05 ] [ -9.3e-06 1.02e-05 3.2e-06 ] [ -2.2e-06 1.45e-05 1.44e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.844014946816001e-14 3.508766799552e-14 8.17110076608e-15 ] [ 7.145707728768e-14 -1.329806595264e-14 -1.217654231808e-14 ] [ 9.308646166848001e-14 -8.090991935040001e-14 -8.283253129536002e-14 ] [ -5.76783583488e-14 1.954655477376e-14 5.863966432128e-14 ] [ -1.490024257344e-14 1.634220153216e-14 5.126965186560001e-15 ] [ -3.52478856576e-15 2.32315610016e-14 2.307134333952e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.268376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.766698830638382e-18 } }