{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2279875 0.3441096 1.620821 ] [ 0.0638848 2.12081 2.259282 ] [ 2.131638 0.0282353 0.491309 ] [ 2.985428 0.1085719 2.760683 ] [ 1.598201 2.879516 0.4111126 ] [ 2.843247 2.032667 1.905289 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.279875e-11 3.441096000000001e-11 1.620821e-10 ] [ 6.388480000000001e-12 2.12081e-10 2.259282e-10 ] [ 2.131638e-10 2.82353e-12 4.91309e-11 ] [ 2.985428e-10 1.085719e-11 2.760683e-10 ] [ 1.598201e-10 2.879516e-10 4.111126e-11 ] [ 2.843247e-10 2.032667e-10 1.905289e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2028215 -9.5343047 -2.9354375 ] [ -0.3649569 10.1569257 3.0385404 ] [ 1.3005711 0.4606513 0.164822 ] [ -0.1177481 -2.8611064 0.5469541 ] [ -1.9593991 0.3089154 -1.2922356 ] [ 0.9387115 1.4689188 0.4773566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.249558654955872e-10 -1.527564008592356e-08 -4.7030893343196e-09 ] [ -5.847254127796435e-10 1.627318889574268e-08 4.868278390236281e-09 ] [ 2.083744610108139e-09 7.38044743201127e-10 2.640739549934976e-10 ] [ -1.886532529636205e-10 -4.583997783701253e-09 8.763170716707053e-10 ] [ -3.139303428836561e-09 4.949370316850804e-10 -2.070389666885461e-09 ] [ 1.503981618976099e-09 2.353467359213591e-09 7.648095843045773e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2599302790819387 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.222984078583102e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4108325 -0.0330798 1.9176334 ] [ 0.3491895 2.3667181 2.1849859 ] [ 2.1557284 0.3702041 0.3715394 ] [ 2.6630186 -0.1347271 2.6032079 ] [ 1.5597915 2.7030162 0.191492 ] [ 2.7118259 2.2417783 2.179638 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.108325e-11 -3.30798e-12 1.9176334e-10 ] [ 3.491895e-11 2.3667181e-10 2.1849859e-10 ] [ 2.1557284e-10 3.702041e-11 3.715394e-11 ] [ 2.6630186e-10 -1.347271e-11 2.6032079e-10 ] [ 1.5597915e-10 2.7030162e-10 1.91492e-11 ] [ 2.7118259e-10 2.2417783e-10 2.179638e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.29e-05 -3.8e-06 -2.36e-05 ] [ 2.5e-06 2.4e-06 1.56e-05 ] [ 1e-06 3.7e-06 2.87e-05 ] [ -3.33e-05 5e-07 6.2e-06 ] [ -1.1e-05 3e-06 3.2e-06 ] [ 7.9e-06 -5.8e-06 -3.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.271161082432e-14 -6.08827115904e-15 -3.781136825088e-14 ] [ 4.005441552e-15 3.84522388992e-15 2.499395528448e-14 ] [ 1.6021766208e-15 5.928053496960001e-15 4.598246901696e-14 ] [ -5.335248147264001e-14 8.010883104e-16 9.93349504896e-15 ] [ -1.76239428288e-14 4.8065298624e-15 5.126965186560001e-15 ] [ 1.265719530432e-14 -9.292624400640001e-15 -4.822551628608e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.6065442790819375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058485078822507e-18 } }