{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4555674 -6.8034224 -14.5098845 ] [ -1.8102452 -0.0444161 4.6919256 ] [ -10.8010559 -11.8552056 2.3056703 ] [ -10.3176016 6.83087 -2.1287102 ] [ 12.9814009 -9.594947 8.1398257 ] [ 5.5986532 9.4462028 -7.7841111 ] [ 6.804416 12.0209183 9.2852842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.934252679078642e-09 -1.090028431070703e-08 -2.32473977164083e-08 ] [ -2.90033253735542e-09 -7.116243700711487e-11 7.517293502853013e-09 ] [ -1.73051992429339e-08 -1.899413324709724e-08 3.694091049932923e-09 ] [ -1.653062006624867e-08 1.09442602137241e-08 -3.410569714898492e-09 ] [ 2.079849702721208e-08 -1.53727997612151e-08 1.304143843392699e-08 ] [ 8.970031265007107e-09 1.51344852814955e-08 -1.247152081812977e-08 ] [ 1.090187623339745e-08 1.925963426080688e-08 1.487666526272363e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.8036241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.696254228131443e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9975671 1.5766257 1.4769075 ] [ 1.4291119 3.0000831 4.6198334 ] [ 1.7327443 0.8479372 3.6097406 ] [ 0.8583679 4.3443028 2.7198157 ] [ 4.3160131 1.1885523 3.6921163 ] [ 3.0613469 3.9404376 1.8674595 ] [ 3.7822739 3.4847724 4.1601149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9975671e-10 1.5766257e-10 1.4769075e-10 ] [ 1.4291119e-10 3.0000831e-10 4.6198334e-10 ] [ 1.7327443e-10 8.479372e-11 3.6097406e-10 ] [ 8.583678999999999e-11 4.344302800000001e-10 2.7198157e-10 ] [ 4.3160131e-10 1.1885523e-10 3.6921163e-10 ] [ 3.0613469e-10 3.9404376e-10 1.8674595e-10 ] [ 3.7822739e-10 3.4847724e-10 4.1601149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 -3e-06 6.9e-06 ] [ 2.59e-05 1.15e-05 -1.13e-05 ] [ 9.9e-06 1.99e-05 -6.1e-06 ] [ 5.3e-06 -3.6e-05 2.6e-06 ] [ -3.36e-05 2.2e-05 -2.7e-06 ] [ 5.3e-06 6.4e-06 2.77e-05 ] [ -1.2e-05 -2.08e-05 -1.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 -4.8065298624e-15 1.105501868352e-14 ] [ 4.149637447872e-14 1.84250311392e-14 -1.810459581504e-14 ] [ 1.586154854592e-14 3.188331475392e-14 -9.77327738688e-15 ] [ 8.491536090240001e-15 -5.76783583488e-14 4.16565921408e-15 ] [ -5.383313445888e-14 3.52478856576e-14 -4.32587687616e-15 ] [ 8.491536090240001e-15 1.025393037312e-14 4.438029239616e-14 ] [ -1.92261194496e-14 -3.332527371264e-14 -2.72370025536e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }