{ "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" [ [ 2.061869 2.942366 1.677644 ] [ 1.882152 2.580028 5.41738 ] [ 1.143094 3.952812 3.395101 ] [ 3.99886 1.876175 2.533949 ] [ 4.004626 1.895608 4.810911 ] [ 3.218518 3.766044 3.544324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.061869e-10 2.942366e-10 1.677644e-10 ] [ 1.882152e-10 2.580028e-10 5.41738e-10 ] [ 1.143094e-10 3.952812e-10 3.395101e-10 ] [ 3.99886e-10 1.876175e-10 2.533949e-10 ] [ 4.004626e-10 1.895608e-10 4.810911e-10 ] [ 3.218518e-10 3.766044e-10 3.544324e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6754577 -2.1162686 -6.0376886 ] [ -2.0238412 0.6357349 1.0319125 ] [ -9.4861378 2.4300506 2.7319473 ] [ 2.4538827 -3.5322979 -3.6904458 ] [ 2.3688284 -2.1392962 2.9918485 ] [ 7.3627255 4.7220771 2.972426 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.08220253527934e-09 -3.390636074253147e-09 -9.673443518590685e-09 ] [ -3.242551054851817e-09 1.018559593806626e-09 1.65330608221128e-09 ] [ -1.519846820484714e-08 3.893370258681013e-09 4.377062093317683e-09 ] [ 3.93155349212558e-09 -5.659365113080937e-09 -5.912745981089553e-09 ] [ 3.795281481167071e-09 -3.427530356606281e-09 4.793469719675549e-09 ] [ 1.179638666146799e-08 7.565601531235065e-09 4.762351444258061e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9794684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.598887095849238e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1430471 3.0291262 1.4957289 ] [ 1.9042243 2.9096362 5.5568976 ] [ 0.7694094 3.750582 3.4755412 ] [ 4.1268163 1.7422936 2.3534928 ] [ 3.9792162 1.6684445 4.8634332 ] [ 3.3864057 3.9129504 3.6342154 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1430471e-10 3.0291262e-10 1.4957289e-10 ] [ 1.9042243e-10 2.9096362e-10 5.5568976e-10 ] [ 7.694094000000001e-11 3.750582e-10 3.4755412e-10 ] [ 4.1268163e-10 1.7422936e-10 2.3534928e-10 ] [ 3.9792162e-10 1.6684445e-10 4.8634332e-10 ] [ 3.3864057e-10 3.9129504e-10 3.6342154e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7e-07 -4e-07 -2.2e-06 ] [ 1e-06 -2.1e-06 -1e-07 ] [ -1.4e-06 1.3e-06 2.8e-06 ] [ 1.3e-06 -1.2e-06 2e-06 ] [ -1.5e-06 -3e-07 -1e-07 ] [ -2e-07 2.6e-06 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.12152363456e-15 -6.408706483200001e-16 -3.52478856576e-15 ] [ 1.6021766208e-15 -3.36457090368e-15 -1.6021766208e-16 ] [ -2.24304726912e-15 2.08282960704e-15 4.48609453824e-15 ] [ 2.08282960704e-15 -1.92261194496e-15 3.2043532416e-15 ] [ -2.4032649312e-15 -4.8065298624e-16 -1.6021766208e-16 ] [ -3.2043532416e-16 4.16565921408e-15 -3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.586116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.176735742267681e-18 } }