{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.7438155 -16.6507171 -4.4685698 ] [ -13.6592514 -4.0098239 17.627208 ] [ -24.1850638 25.2045954 -28.016394 ] [ -4.4086322 18.9515706 13.4719976 ] [ 9.3538891 -16.229784 -17.4816894 ] [ 30.9961797 -22.5325886 28.8945878 ] [ 19.646694 15.2667476 -10.0271401 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.842872635788866e-08 -2.667738965717478e-08 -7.159438061972932e-09 ] [ -2.188453325070967e-08 -6.424446106105077e-09 2.824190054757873e-08 ] [ -3.874874379291641e-08 4.038221348660323e-08 -4.488721146592139e-08 ] [ -7.063407440546069e-09 3.036376334276063e-08 2.158451959019371e-08 ] [ 1.498658242957595e-08 -2.600298048543391e-08 -2.800875404876718e-08 ] [ 4.966135444945556e-08 -3.61011866610246e-08 4.629423304081291e-08 ] [ 3.147747380281163e-08 2.446002608037451e-08 -1.606524944170617e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.563599 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.615087079890626e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8298633 1.7436741 2.4877991 ] [ 2.2849652 2.1668949 4.9370554 ] [ 2.2344723 4.2074114 2.0987138 ] [ 2.2637814 4.5456951 4.4944855 ] [ 4.3163715 1.4005478 2.196883 ] [ 4.5682504 1.4387979 4.6031475 ] [ 4.512349 3.6974209 1.4613727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8298633e-10 1.7436741e-10 2.4877991e-10 ] [ 2.2849652e-10 2.1668949e-10 4.9370554e-10 ] [ 2.2344723e-10 4.2074114e-10 2.0987138e-10 ] [ 2.2637814e-10 4.5456951e-10 4.4944855e-10 ] [ 4.3163715e-10 1.4005478e-10 2.196883e-10 ] [ 4.5682504e-10 1.4387979e-10 4.603147500000001e-10 ] [ 4.512349000000001e-10 3.6974209e-10 1.4613727e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.69e-05 -2.3e-06 1.14e-05 ] [ 5.5e-06 6.2e-06 -2e-07 ] [ -3e-05 8.2e-06 -2.1e-05 ] [ -3.1e-06 2.15e-05 2.3e-06 ] [ 6.9e-06 -7.1e-06 -1.5e-06 ] [ 0.0 -3.97e-05 5.8e-06 ] [ 3.7e-06 1.32e-05 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.707678489152e-14 -3.68500622784e-15 1.826481347712e-14 ] [ 8.8119714144e-15 9.93349504896e-15 -3.2043532416e-16 ] [ -4.8065298624e-14 1.313784829056e-14 -3.36457090368e-14 ] [ -4.96674752448e-15 3.44467973472e-14 3.68500622784e-15 ] [ 1.105501868352e-14 -1.137545400768e-14 -2.4032649312e-15 ] [ 0.0 -6.360641184576e-14 9.292624400640001e-15 ] [ 5.928053496960001e-15 2.114873139456e-14 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.350653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.619663397141338e-18 } }