{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5370897 -1.6307206 -3.668952 ] [ -1.5929382 -1.8937754 -0.1621448 ] [ 2.4752567 2.796747 1.0107808 ] [ -3.0824657 1.3720651 2.2893006 ] [ -1.4892813 1.2009117 0.0109774 ] [ 1.5129678 -1.8808261 0.8315348 ] [ -0.360629 0.0355982 -0.311497 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.06486583570207e-09 -2.61270244190246e-09 -5.878309165667567e-09 ] [ -2.552168363446019e-09 -3.034162695924004e-09 -2.597846098846032e-10 ] [ 3.965798447891948e-09 4.480882694609597e-09 1.619449379855827e-09 ] [ -4.938654519646454e-09 2.198290643546873e-09 3.66786392952218e-09 ] [ -2.386091700313144e-09 1.924072665237218e-09 1.75877337820716e-11 ] [ 2.424041657154385e-09 -3.013415630037347e-09 1.332265626917863e-09 ] [ -5.777913573427859e-10 5.70346042524588e-11 -4.99073214961098e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.304733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.374700521020871e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3785586 1.2116344 1.6595229 ] [ 1.873109 0.9554907 4.0184072 ] [ 2.2493946 3.0093884 5.1926957 ] [ 1.9695536 3.1410524 2.8913069 ] [ 3.9301635 0.1535367 3.0130195 ] [ 4.2213058 2.4817818 2.519677 ] [ 4.1053999 1.6845582 4.7544267 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3785586e-10 1.2116344e-10 1.6595229e-10 ] [ 1.873109e-10 9.554907e-11 4.0184072e-10 ] [ 2.2493946e-10 3.009388400000001e-10 5.1926957e-10 ] [ 1.9695536e-10 3.1410524e-10 2.8913069e-10 ] [ 3.9301635e-10 1.535367e-11 3.0130195e-10 ] [ 4.2213058e-10 2.4817818e-10 2.519677e-10 ] [ 4.1053999e-10 1.6845582e-10 4.7544267e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.84e-05 1.68e-05 -7e-06 ] [ 0.0001412 7.85e-05 -5.91e-05 ] [ -5.84e-05 -1.05e-05 -1.2e-05 ] [ 5.17e-05 1.03e-05 2.15e-05 ] [ 2.98e-05 4e-07 4.19e-05 ] [ -0.0001095 -7.07e-05 3.25e-05 ] [ -6.4e-06 -2.48e-05 -1.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.754534908559998e-14 2.691656745119999e-14 -1.1215236438e-14 ] [ 2.262273407208e-13 1.25770865769e-13 -9.468863906939999e-14 ] [ -9.35671154256e-14 -1.6822854657e-14 -1.9226119608e-14 ] [ 8.28325319778e-14 1.65024193302e-14 3.4446797631e-14 ] [ 4.77448636932e-14 6.408706536e-16 6.713120096459999e-14 ] [ -1.75438341423e-13 -1.132738880238e-13 5.207074060499999e-14 ] [ -1.02539304576e-14 -3.97339805232e-14 -2.851874408519999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }