{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2053602 -2.1733443 -0.1775353 ] [ 1.0047832 -1.2373204 1.2829287 ] [ -6.0574394 -1.7604381 -2.7552147 ] [ -2.4099825 -0.3587587 -0.0088651 ] [ -1.9246076 0.6991155 -2.3145719 ] [ 2.9968151 6.9649687 -2.918789 ] [ 6.5957915 -2.1342228 6.8920473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.290233112828121e-10 -3.482081426408942e-09 -2.844429070267143e-10 ] [ 1.609840152012611e-09 -1.982405817318905e-09 2.055478369293337e-09 ] [ -9.70508778859278e-09 -2.820532766185573e-09 -4.414340577624486e-09 ] [ -3.861217618037136e-09 -5.74794801648601e-10 -1.420345596105408e-11 ] [ -3.083561300933998e-09 1.120106509338903e-09 -3.708352985340635e-09 ] [ 4.801427090080414e-09 1.115911001574377e-08 -4.67641549684821e-09 ] [ 1.056762293697136e-08 -3.419401873738314e-09 1.104227705350776e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -22.681842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.634031696907951e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3115558 2.031446 1.4874159 ] [ 3.0482025 4.3984825 1.2207484 ] [ 2.7076596 3.5196923 3.5599402 ] [ 5.2104176 3.1230227 1.5812441 ] [ 4.1538585 1.4950506 3.0944663 ] [ 4.6141423 5.0936966 3.062066 ] [ 5.0202148 3.2339953 4.6724152 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3115558e-10 2.031446e-10 1.4874159e-10 ] [ 3.0482025e-10 4.3984825e-10 1.2207484e-10 ] [ 2.7076596e-10 3.5196923e-10 3.5599402e-10 ] [ 5.210417600000001e-10 3.1230227e-10 1.5812441e-10 ] [ 4.1538585e-10 1.4950506e-10 3.0944663e-10 ] [ 4.6141423e-10 5.0936966e-10 3.062066e-10 ] [ 5.0202148e-10 3.2339953e-10 4.6724152e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.37e-05 7.52e-05 2.94e-05 ] [ -5.72e-05 -6.55e-05 1.36e-05 ] [ 3.78e-05 -9.76e-05 -3.01e-05 ] [ 4.85e-05 -2.53e-05 -2.55e-05 ] [ -5.06e-05 0.0001185 5.62e-05 ] [ 3.1e-05 2.91e-05 3.35e-05 ] [ -5.32e-05 -3.45e-05 -7.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.001511832895999e-14 1.2048368188416e-13 4.710399265152e-14 ] [ -9.164450270976e-14 -1.049425686624e-13 2.178960204288e-14 ] [ 6.056227626623999e-14 -1.5637243819008e-13 -4.822551628608e-14 ] [ 7.77055661088e-14 -4.053506850624e-14 -4.08555038304e-14 ] [ -8.107013701248e-14 1.898579295648e-13 9.004232608896e-14 ] [ 4.96674752448e-14 4.662333966527999e-14 5.36729167968e-14 ] [ -8.523579622656e-14 -5.52750934176e-14 -1.2352781746368e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.960863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.159388775439175e-18 } }