{ "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" [ [ 1.174201 -1.8909262 -2.5938443 ] [ -2.3902356 -1.4127915 0.7412617 ] [ 1.4346405 1.0785265 0.5682666 ] [ -1.8985077 2.1217324 0.9344963 ] [ -0.8063696 0.5059958 -0.1228973 ] [ 1.991928 -0.6491697 -0.316379 ] [ 0.4943434 0.2466326 0.789096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.881277390319981e-09 -3.029597749298185e-09 -4.155796695455342e-09 ] [ -3.829579596523861e-09 -2.263541511364963e-09 1.187632165634463e-09 ] [ 2.298547468352823e-09 1.727989943213251e-09 9.104634609015052e-10 ] [ -3.04174465134878e-09 3.399390046873874e-09 1.497228124084103e-09 ] [ -1.291946520843848e-09 8.106946409829927e-10 -1.969031808194439e-10 ] [ 3.191420471916903e-09 -1.04008451627175e-09 -5.068950371120833e-10 ] [ 7.920254381267827e-10 3.951489856471181e-10 1.264271162766797e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.89667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.348015612657274e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0269209 0.8200992 2.1426938 ] [ 0.8789024 1.1034916 4.1028181 ] [ 2.3130364 2.6614755 4.9724662 ] [ 2.2873849 3.125745 2.6444962 ] [ 4.2189242 0.433438 2.7711972 ] [ 4.5817269 2.7617562 2.64939 ] [ 4.4205893 1.731437 4.7659944 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0269209e-10 8.200992e-11 2.1426938e-10 ] [ 8.789024e-11 1.1034916e-10 4.102818100000001e-10 ] [ 2.3130364e-10 2.6614755e-10 4.972466200000001e-10 ] [ 2.2873849e-10 3.125745e-10 2.6444962e-10 ] [ 4.2189242e-10 4.33438e-11 2.7711972e-10 ] [ 4.5817269e-10 2.761756200000001e-10 2.64939e-10 ] [ 4.4205893e-10 1.731437e-10 4.765994400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.59e-05 1.95e-05 -2.05e-05 ] [ -1.7e-05 -1.94e-05 2.53e-05 ] [ -1.69e-05 5.7e-06 -1.04e-05 ] [ 6.7e-06 -7e-07 5.7e-06 ] [ -3.16e-05 -1e-06 5.58e-05 ] [ 4.8e-06 3.52e-05 -3.59e-05 ] [ 1.81e-05 -3.94e-05 -2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.751814068672e-14 3.12424441056e-14 -3.28446207264e-14 ] [ -2.72370025536e-14 -3.108222644352e-14 4.053506850624e-14 ] [ -2.707678489152e-14 9.13240673856e-15 -1.666263685632e-14 ] [ 1.073458335936e-14 -1.12152363456e-15 9.13240673856e-15 ] [ -5.062878121728e-14 -1.6021766208e-15 8.940145544064e-14 ] [ 7.69044777984e-15 5.639661705216e-14 -5.751814068672e-14 ] [ 2.899939683648e-14 -6.312575885952001e-14 -3.2043532416e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629064074633e-18 } }