{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.8449567 -29.5551087 42.3632881 ] [ -89.7959618 106.6674871 -15.9638921 ] [ -47.7509045 -5.8277034 -71.2785943 ] [ 11.924436 48.0794475 40.3481679 ] [ -3.5771094 -99.4945592 -62.3058341 ] [ 46.9193775 -75.31313 109.8002047 ] [ 92.1251189 55.4435667 -42.96334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.577335958748174e-08 -4.735250457447011e-08 6.787347033323025e-08 ] [ -1.438689918235166e-07 1.709001554391164e-07 -2.557697491031719e-08 ] [ -7.650538344226544e-08 -9.337010217362353e-09 -1.142008982918256e-07 ] [ 1.910505273282842e-08 7.703176736012972e-08 6.464489183408884e-08 ] [ -5.731161097941759e-09 -1.594078579603697e-07 -9.982495155690041e-08 ] [ 7.517313031232534e-08 -1.206649371194044e-07 1.75919322378757e-07 ] [ 1.476007129060518e-07 8.883038707236047e-08 -6.883485946659756e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 48.477045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.766878878436652e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1047187 3.2530336 3.572685 ] [ 2.4729322 5.9873422 1.176577 ] [ 1.1671688 3.6510689 0.8802248 ] [ 2.4874273 5.7269253 3.8864954 ] [ 3.4958479 2.2447329 0.9858042 ] [ 4.8785372 4.718638 1.2996147 ] [ 4.0277668 3.248792 3.6811518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1047187e-10 3.2530336e-10 3.572685e-10 ] [ 2.4729322e-10 5.987342199999999e-10 1.176577e-10 ] [ 1.1671688e-10 3.6510689e-10 8.802248000000001e-11 ] [ 2.4874273e-10 5.7269253e-10 3.8864954e-10 ] [ 3.4958479e-10 2.2447329e-10 9.858042000000001e-11 ] [ 4.878537200000001e-10 4.718638e-10 1.2996147e-10 ] [ 4.0277668e-10 3.248792e-10 3.6811518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -2.37e-05 1.51e-05 ] [ 1.04e-05 2.6e-06 1.5e-06 ] [ -1.09e-05 1.03e-05 -1.8e-06 ] [ -8.7e-06 1.46e-05 -1.1e-06 ] [ 8.9e-06 -1.8e-06 5.6e-06 ] [ 1.23e-05 -2.9e-06 -8.9e-06 ] [ -9.1e-06 9e-07 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.6463122386e-15 -3.79715862258e-14 2.41928671734e-14 ] [ 1.66626369936e-14 4.165659248399999e-15 2.403264951e-15 ] [ -1.74637253106e-14 1.65024193302e-14 -2.8839179412e-15 ] [ -1.39389367158e-14 2.33917788564e-14 -1.7623942974e-15 ] [ 1.42593720426e-14 -2.8839179412e-15 8.972189150399999e-15 ] [ 1.97067725982e-14 -4.6463122386e-15 -1.42593720426e-14 ] [ -1.45798073694e-14 1.4419589706e-15 -1.6822854657e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337415029714e-18 } }