{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.563951 0.9225225 1.195567 ] [ 1.348432 0.3073599 2.755625 ] [ 0.2422324 2.903648 2.041824 ] [ 2.040932 0.0344744 0.838059 ] [ 2.055265 2.344707 1.01543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63951e-11 9.225225000000001e-11 1.195567e-10 ] [ 1.348432e-10 3.073599e-11 2.755625000000001e-10 ] [ 2.422324e-11 2.903648e-10 2.041824e-10 ] [ 2.040932e-10 3.447440000000001e-12 8.38059e-11 ] [ 2.055265e-10 2.344707e-10 1.01543e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.52375 0.0854294 -9.2097127 ] [ 1.7592953 -7.4947748 22.7899252 ] [ -5.651407 8.8961762 4.5449875 ] [ 17.4441225 -15.0219315 -12.7957481 ] [ 11.9717393 13.5351007 -5.3294518 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.089355552514401e-08 1.368729874089715e-10 -1.475558637222485e-08 ] [ 2.818701798743322e-09 -1.2007952962721e-08 3.651348534522076e-08 ] [ -9.054552170025465e-09 1.425324552215739e-08 7.281872714328241e-09 ] [ 2.794856523987125e-08 -2.406778744855908e-08 -2.050104845146602e-08 ] [ 1.918084081677256e-08 2.168562190171372e-08 -8.538723075640478e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.5952152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.760169740184797e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.2522608 0.6046419 0.9715306 ] [ 1.2143417 0.4056714 3.0845666 ] [ 0.5454636 2.6736235 2.1875251 ] [ 2.2412338 0.2283531 0.7802763 ] [ 2.5020341 2.6004219 0.8226065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.522608e-11 6.046418999999999e-11 9.715306e-11 ] [ 1.2143417e-10 4.056714000000001e-11 3.0845666e-10 ] [ 5.454636000000001e-11 2.6736235e-10 2.1875251e-10 ] [ 2.2412338e-10 2.283531e-11 7.802763e-11 ] [ 2.5020341e-10 2.600421900000001e-10 8.226065000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 2.3e-06 5.8e-06 ] [ 3.6e-06 7.7e-06 -2.15e-05 ] [ 1.36e-05 -1.11e-05 -1.04e-05 ] [ -1.22e-05 5.1e-06 1.37e-05 ] [ -1.39e-05 -3.9e-06 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.425937192512e-14 3.68500622784e-15 9.292624400640001e-15 ] [ 5.76783583488e-15 1.233675998016e-14 -3.44467973472e-14 ] [ 2.178960204288e-14 -1.778416049088e-14 -1.666263685632e-14 ] [ -1.954655477376e-14 8.17110076608e-15 2.194981970496e-14 ] [ -2.227025502912e-14 -6.24848882112e-15 2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.878088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903079489340503e-18 } }