{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2587836 -0.5400016 2.3190864 ] [ 1.3835241 1.1543785 -0.6087879 ] [ 2.2243904 -1.4943323 -1.077914 ] [ 0.1520356 3.9880658 -0.3564923 ] [ -3.4298896 -2.1331598 3.086504 ] [ -2.491191 -0.2290224 -1.6725541 ] [ -0.0976531 -0.7459282 -1.6898422 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.618970275366459e-09 -8.651779387145933e-10 3.715586011695238e-09 ] [ 2.216649967333361e-09 1.849518244254173e-09 -9.753857404059285e-10 ] [ 3.56386629441196e-09 -2.394184274766292e-09 -1.727008610033011e-09 ] [ 2.435878838493005e-10 6.389585786972049e-09 -5.711636285552198e-10 ] [ -5.495288929045064e-09 -3.417698759990404e-09 4.945124548805684e-09 ] [ -3.991327978147373e-09 -3.669343349195059e-10 -2.679727076043185e-09 ] [ -1.564575137686445e-10 -1.195108722835427e-09 -2.707425665681237e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.968023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.480971258059668e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.619589 2.3839382 2.0541496 ] [ 2.1513459 2.744722 4.3359692 ] [ 2.0535538 0.428114 4.2298453 ] [ 3.7576625 0.40605 2.6245142 ] [ 4.9452233 2.1856478 1.6750149 ] [ 4.1200959 1.45184 4.7085984 ] [ 4.2075355 3.4584977 3.4682604 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.619589e-10 2.3839382e-10 2.0541496e-10 ] [ 2.1513459e-10 2.744722e-10 4.3359692e-10 ] [ 2.0535538e-10 4.28114e-11 4.2298453e-10 ] [ 3.7576625e-10 4.0605e-11 2.6245142e-10 ] [ 4.9452233e-10 2.1856478e-10 1.6750149e-10 ] [ 4.1200959e-10 1.45184e-10 4.7085984e-10 ] [ 4.2075355e-10 3.4584977e-10 3.4682604e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.31e-05 1.38e-05 -2.1e-05 ] [ -3.62e-05 4.79e-05 1.41e-05 ] [ 2.9e-06 -8e-07 3.57e-05 ] [ 3.86e-05 -2.91e-05 -3.38e-05 ] [ -3.32e-05 2.5e-05 3.17e-05 ] [ 1.4e-06 -1.22e-05 -9.6e-06 ] [ 3.4e-06 -4.47e-05 -1.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.701027994048e-14 2.211003736704e-14 -3.36457090368e-14 ] [ -5.799879367296e-14 7.674426013632e-14 2.259069035328e-14 ] [ 4.646312200320001e-15 -1.28174129664e-15 5.719770536256001e-14 ] [ 6.184401756288e-14 -4.662333966527999e-14 -5.415356978304e-14 ] [ -5.319226381056e-14 4.005441552e-14 5.078899887936e-14 ] [ 2.24304726912e-15 -1.954655477376e-14 -1.538089555968e-14 ] [ 5.44740051072e-15 -7.161729494976001e-14 -2.771765553984e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.311464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856431896302086e-18 } }