{ "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" [ [ -0.5508598 -3.1122736 -6.0828182 ] [ -2.9925968 0.9947713 -0.9866832 ] [ -1.9648804 -3.9308797 3.7039485 ] [ -0.5373642 6.1892058 -2.0115189 ] [ 2.1596997 -2.8244006 0.9036829 ] [ 3.4626353 1.0780179 -2.578757 ] [ 0.4233663 1.6055591 7.0521458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.825746928985639e-10 -4.986411999453051e-09 -9.745749108616738e-09 ] [ -4.794668628440893e-09 1.593799319902823e-09 -1.580840755176131e-09 ] [ -3.148085439548153e-09 -6.297963554517318e-09 5.934379691347229e-09 ] [ -8.609523580948953e-10 9.91620083407976e-09 -3.222808553877333e-09 ] [ 3.460220367288774e-09 -4.525188609093493e-09 1.447859614996744e-09 ] [ 5.547753324016795e-09 1.727175076183912e-09 -4.131624176124345e-09 ] [ 6.78307587894599e-10 2.572389253332689e-09 1.129878312723291e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.699059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.194831205675983e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2238763 2.3777486 0.2481966 ] [ 0.7094269 1.5780411 1.9437824 ] [ 2.0295994 1.6277696 3.906163 ] [ 3.8060529 4.7127905 2.7625876 ] [ 4.1730919 1.0630143 3.0818773 ] [ 4.2159042 2.782153 1.458391 ] [ 2.2915483 3.9131519 4.4581561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2238763e-10 2.3777486e-10 2.481966e-11 ] [ 7.094269e-11 1.5780411e-10 1.9437824e-10 ] [ 2.0295994e-10 1.6277696e-10 3.906163e-10 ] [ 3.8060529e-10 4.7127905e-10 2.7625876e-10 ] [ 4.1730919e-10 1.0630143e-10 3.0818773e-10 ] [ 4.2159042e-10 2.782153e-10 1.458391e-10 ] [ 2.2915483e-10 3.9131519e-10 4.4581561e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-05 -4.97e-05 -2.6e-06 ] [ -8.1e-06 2.9e-05 -4.8e-06 ] [ -1.31e-05 2.24e-05 5.3e-06 ] [ -1.99e-05 -5.5e-06 2.8e-06 ] [ 7e-07 2.85e-05 -3.53e-05 ] [ -1.19e-05 -4.8e-06 -1.9e-06 ] [ 1.54e-05 -2e-05 3.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.92805349696e-14 -7.962817805376001e-14 -4.16565921408e-15 ] [ -1.297763062848e-14 4.64631220032e-14 -7.69044777984e-15 ] [ -2.098851373248e-14 3.588875630592e-14 8.491536090240001e-15 ] [ -3.188331475392e-14 -8.8119714144e-15 4.48609453824e-15 ] [ 1.12152363456e-15 4.56620336928e-14 -5.655683471424e-14 ] [ -1.906590178752e-14 -7.69044777984e-15 -3.04413557952e-15 ] [ 2.467351996032e-14 -3.2043532416e-14 5.863966432128e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }