{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0796872 -1.0607858 -1.9403738 ] [ -1.7871696 -2.4586891 1.2048901 ] [ -0.1144625 0.3559053 -0.7203765 ] [ -0.6480287 0.3967539 0.0097417 ] [ -0.2204629 0.0707222 -0.0340844 ] [ -0.0971808 0.2606454 0.8458645 ] [ 2.7876173 2.4354481 0.6343383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.276729688170138e-10 -1.699566208436625e-09 -3.108821537972855e-09 ] [ -2.863361350524488e-09 -3.939254193835794e-09 1.930446748853374e-09 ] [ -1.8338914145832e-10 5.702231508788102e-10 -1.154170386473731e-09 ] [ -1.038256432747417e-09 6.356698227912212e-10 1.560792398684736e-11 ] [ -3.532205041337683e-10 1.133094554115418e-10 -5.460922881399552e-11 ] [ -1.557008057506406e-10 4.175999661990644e-10 1.355224326264682e-09 ] [ 4.46625526579762e-09 3.90201800699178e-09 1.016321993938017e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.538848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.130468546296484e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4905554 0.8423823 3.1150992 ] [ 2.5134808 1.9662334 5.1595253 ] [ 3.3290676 4.7497328 3.6202536 ] [ 1.6227665 3.0913776 3.2197684 ] [ 4.121146 1.5122067 1.6878772 ] [ 3.3061309 3.6258873 1.5758236 ] [ 4.1620088 3.5146369 5.3305723 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4905554e-10 8.423823000000001e-11 3.1150992e-10 ] [ 2.5134808e-10 1.9662334e-10 5.159525300000001e-10 ] [ 3.3290676e-10 4.749732800000001e-10 3.6202536e-10 ] [ 1.6227665e-10 3.0913776e-10 3.2197684e-10 ] [ 4.121146000000001e-10 1.5122067e-10 1.6878772e-10 ] [ 3.3061309e-10 3.6258873e-10 1.5758236e-10 ] [ 4.1620088e-10 3.5146369e-10 5.3305723e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 -4e-07 -1.16e-05 ] [ 1.57e-05 1.13e-05 2e-06 ] [ -9.4e-06 9.7e-06 -1.26e-05 ] [ -7.3e-06 1.3e-06 3.8e-06 ] [ 2e-07 2.4e-06 8.5e-06 ] [ 4.2e-06 -6e-06 -3.1e-06 ] [ -3e-07 -1.83e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.126965186560001e-15 -6.408706483200001e-16 -1.858524880128e-14 ] [ 2.515417294656e-14 1.810459581504e-14 3.2043532416e-15 ] [ -1.506046023552e-14 1.554111322176e-14 -2.018742542208e-14 ] [ -1.169588933184e-14 2.08282960704e-15 6.08827115904e-15 ] [ 3.2043532416e-16 3.84522388992e-15 1.36185012768e-14 ] [ 6.72914180736e-15 -9.6130597248e-15 -4.96674752448e-15 ] [ -4.8065298624e-16 -2.931983216064e-14 2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.158644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.55020613654302e-18 } }