{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.012576 -2.7389687 -5.4518498 ] [ -5.0546453 2.2456591 -1.5567263 ] [ 7.8918589 -4.4706291 5.0719001 ] [ -0.6207698 4.3247527 -1.8005915 ] [ -7.521865 1.6737244 0.8136267 ] [ 0.4436023 0.3640893 -0.8901726 ] [ 0.8492429 -1.3986277 3.8138135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.428855456383182e-09 -4.388311616242969e-09 -8.734826289673156e-09 ] [ -8.098434526096602e-09 3.597942508306769e-09 -2.494150482844487e-09 ] [ 1.264415182423241e-08 -7.162737424288145e-09 8.126079763253183e-09 ] [ -9.94582860458692e-10 6.929017666681677e-09 -2.884865604911203e-09 ] [ -1.205135624781379e-08 2.681602103342508e-09 1.303573676798655e-09 ] [ 7.107292339931079e-10 5.833353643434374e-10 -1.42621372819675e-09 ] [ 1.360637119760392e-09 -2.240848602143276e-09 6.110402825791421e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2165645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.476656416599524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0175626 2.7072423 -0.0393813 ] [ 1.0029207 1.3493213 1.3696887 ] [ 1.596977 0.707542 3.3915561 ] [ 4.2681035 4.4158573 2.7806023 ] [ 3.3069112 0.6650613 4.7748342 ] [ 3.6600953 3.9719077 0.7129042 ] [ 3.5969297 4.2377371 4.8689498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0175626e-10 2.7072423e-10 -3.93813e-12 ] [ 1.0029207e-10 1.3493213e-10 1.3696887e-10 ] [ 1.596977e-10 7.075420000000001e-11 3.3915561e-10 ] [ 4.2681035e-10 4.4158573e-10 2.7806023e-10 ] [ 3.3069112e-10 6.650613e-11 4.7748342e-10 ] [ 3.6600953e-10 3.9719077e-10 7.129042e-11 ] [ 3.5969297e-10 4.237737100000001e-10 4.8689498e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1637412 0.0680029 0.2811694 ] [ 0.06752 -0.0132235 -0.0568114 ] [ -0.1372818 -0.025317 -0.2306918 ] [ 0.0510853 0.1052151 0.1886616 ] [ 0.0179707 -0.0634583 0.1694288 ] [ -0.279853 -0.1308526 -0.3894489 ] [ 0.1168176 0.0596334 0.0376923 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.62342322501737e-10 1.089526565266003e-10 4.504830391643635e-10 ] [ 1.08178965436416e-10 -2.11863825451488e-11 -9.102189687491711e-11 ] [ -2.199496904213415e-10 -4.05623055087936e-11 -3.696090085702694e-10 ] [ 8.184767332655425e-11 1.685731733751341e-10 3.022692047627213e-10 ] [ 2.879223539941056e-11 -1.016714046557126e-10 2.71454862250199e-10 ] [ -4.483739338607424e-10 -2.096489764908941e-10 -6.239659225762772e-10 ] [ 1.871624276179661e-10 9.554323929881473e-11 6.038972184417983e-11 ] ] } "relaxed-potential-energy" { "source-value" -16.014395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.565788926525642e-18 } }