{ "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" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4807634 -2.2399705 2.6462001 ] [ -1.0466195 1.8660793 -2.3320964 ] [ 6.551915 -1.7004237 -1.3738719 ] [ 4.7211115 7.0096956 4.0911875 ] [ -6.9636401 -2.5943302 -6.4686216 ] [ -3.9219989 -2.8124744 4.2273464 ] [ 2.1399955 0.4714238 -0.7901441 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.372444500416319e-09 -3.588828366381687e-09 4.239679934178622e-09 ] [ -1.676869293773386e-09 2.98978862701883e-09 -3.736430329531845e-09 ] [ 1.049732503446883e-08 -2.724379097594233e-09 -2.201185438154076e-09 ] [ 7.564054469490019e-09 1.123077040924463e-08 6.5548049638092e-09 ] [ -1.115698136388537e-08 -4.156575193075388e-09 -1.036387429632189e-08 ] [ -6.283734944383317e-09 -4.506080730278508e-09 6.772955570103045e-09 ] [ 3.428650758717206e-09 7.553041908486951e-10 -1.265950404083057e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.875968 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.062957489976894e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1773713 2.0829077 4.9512702 ] [ 2.2278045 3.6249371 2.8950824 ] [ 5.3282461 0.8955937 2.7992027 ] [ 4.9191085 3.3592291 2.8072619 ] [ 3.1638818 1.714567 1.5680336 ] [ 3.0628359 0.2758603 3.6959989 ] [ 3.80948 3.9951319 4.9523284 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1773713e-10 2.0829077e-10 4.9512702e-10 ] [ 2.2278045e-10 3.6249371e-10 2.8950824e-10 ] [ 5.328246100000001e-10 8.955937000000001e-11 2.7992027e-10 ] [ 4.919108500000001e-10 3.3592291e-10 2.8072619e-10 ] [ 3.1638818e-10 1.714567e-10 1.5680336e-10 ] [ 3.0628359e-10 2.758603e-11 3.6959989e-10 ] [ 3.80948e-10 3.9951319e-10 4.9523284e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.99e-05 2.8e-06 1.9e-06 ] [ 1.81e-05 -4.2e-06 -6.2e-06 ] [ -1.2e-06 -1.26e-05 1.58e-05 ] [ -5.8e-06 1.65e-05 8.4e-06 ] [ -2.26e-05 4.1e-06 -2.4e-06 ] [ 1.2e-06 -1.46e-05 -1.49e-05 ] [ -9.6e-06 8e-06 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.188331475392e-14 4.48609453824e-15 3.04413557952e-15 ] [ 2.899939683648e-14 -6.72914180736e-15 -9.93349504896e-15 ] [ -1.92261194496e-15 -2.018742542208e-14 2.531439060864e-14 ] [ -9.292624400640001e-15 2.64359142432e-14 1.345828361472e-14 ] [ -3.620919163008e-14 6.568924145279999e-15 -3.84522388992e-15 ] [ 1.92261194496e-15 -2.339177866368e-14 -2.387243164992e-14 ] [ -1.538089555968e-14 1.28174129664e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.016851 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.72640008318371e-18 } }