{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3250279 -2.9363517 -2.7417518 ] [ -6.8184273 -1.2212859 4.1489744 ] [ -8.9815264 2.1226638 -3.8623035 ] [ 4.8692767 -7.2056336 -7.143395 ] [ 2.3166384 -4.2586265 3.8138248 ] [ 7.4427259 5.9084534 -6.0822854 ] [ 3.4963406 7.5907806 11.8669364 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.72510534408772e-09 -4.704554044186335e-09 -4.392770633996317e-09 ] [ -1.092432481068447e-08 -1.956715716292687e-09 6.647389783977708e-09 ] [ -1.438999161717799e-08 3.400882314178487e-09 -6.188092370134012e-09 ] [ 7.801441288946177e-09 -1.154469769197094e-08 -1.144498046213962e-08 ] [ 3.711663883327519e-09 -6.823071815019332e-09 6.110420930387236e-09 ] [ 1.192456143200264e-08 9.46638590256627e-09 -9.744895468913177e-09 ] [ 5.601755167673845e-09 1.21617712109422e-08 1.901292806060052e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.8647251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.589795580238942e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4512303 0.7394164 1.8419528 ] [ 0.789929 1.7467365 3.5932039 ] [ 1.721806 4.0477663 1.5645769 ] [ 3.5856218 1.2483762 1.6065664 ] [ 3.6388922 1.174264 4.6713155 ] [ 3.586998 4.3436383 1.1662303 ] [ 3.5106747 3.1729231 4.4567912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4512303e-10 7.394164e-11 1.8419528e-10 ] [ 7.89929e-11 1.7467365e-10 3.5932039e-10 ] [ 1.721806e-10 4.047766300000001e-10 1.5645769e-10 ] [ 3.5856218e-10 1.2483762e-10 1.6065664e-10 ] [ 3.6388922e-10 1.174264e-10 4.671315500000001e-10 ] [ 3.586998e-10 4.3436383e-10 1.1662303e-10 ] [ 3.5106747e-10 3.172923100000001e-10 4.4567912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0033735 -0.8650756 -0.9402596 ] [ 1.5244284 -1.0908098 -1.5740879 ] [ -0.4014808 1.3544604 -0.5396738 ] [ -3.2878497 -0.6406182 0.9048229 ] [ 1.0548452 0.2537193 1.9298177 ] [ 0.581879 0.7342433 0.2463417 ] [ 0.5248045 0.2540807 -0.026961 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.4049428302688e-12 -1.386003901544532e-09 -1.50646194860276e-09 ] [ 2.44240354256355e-09 -1.747669959299524e-09 -2.521966832464168e-09 ] [ -6.432431514600807e-10 2.170084786679416e-09 -8.646527452182951e-10 ] [ -5.267715922044295e-09 -1.026383502898979e-09 1.449686096344456e-09 ] [ 1.6900483180031e-09 4.065031307057414e-10 3.091908801346028e-09 ] [ 9.322729299344833e-10 1.176387449239041e-09 3.946829124681274e-10 ] [ 8.408295003906336e-10 4.070821573364985e-10 -4.31962838733888e-11 ] ] } "relaxed-potential-energy" { "source-value" -22.07387 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536623844457849e-18 } }