{ "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" [ [ 1.02058 1.85993 1.630827 ] [ 2.141944 2.227969 3.994537 ] [ 1.553014 3.937737 2.507181 ] [ 3.345417 1.636187 2.240659 ] [ 3.907909 3.941805 1.929299 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.02058e-10 1.85993e-10 1.630827e-10 ] [ 2.141944e-10 2.227969e-10 3.994537e-10 ] [ 1.553014e-10 3.937737e-10 2.507181e-10 ] [ 3.345417e-10 1.636187e-10 2.240659e-10 ] [ 3.907909e-10 3.941805e-10 1.929299e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7690218 -0.8102351 -1.297153 ] [ -0.1660692 0.1474463 2.5716337 ] [ -1.2808873 3.5332854 0.0030378 ] [ 2.9370046 -2.4190716 -1.5361714 ] [ -0.7210262 -0.4514249 0.258653 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.232108758996621e-09 -1.298139745266653e-09 -2.078268227323002e-09 ] [ -2.660721918670728e-10 2.362350166297542e-10 4.120211425346966e-09 ] [ -2.052207702847348e-09 5.660947309133344e-09 4.867092178765199e-12 ] [ 4.705600144070515e-09 -3.875779993492994e-09 -2.461217922899067e-09 ] [ -1.155211330141811e-09 -7.232624267857866e-10 4.14407792914002e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.485791432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.840226665645278e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2228679 2.0000241 1.3254054 ] [ 2.2752799 2.3713197 4.2048471 ] [ 1.4443374 3.9705307 2.6463596 ] [ 3.3432089 1.4709199 2.274646 ] [ 3.68317 3.7908336 1.8512449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2228679e-10 2.0000241e-10 1.3254054e-10 ] [ 2.2752799e-10 2.3713197e-10 4.2048471e-10 ] [ 1.4443374e-10 3.9705307e-10 2.6463596e-10 ] [ 3.3432089e-10 1.4709199e-10 2.274646e-10 ] [ 3.68317e-10 3.7908336e-10 1.8512449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.41e-05 1.74e-05 3.61e-05 ] [ 2.9e-05 -2.71e-05 -3.79e-05 ] [ 3.54e-05 -2.53e-05 -5.12e-05 ] [ -4.38e-05 3.02e-05 2.6e-05 ] [ -3.46e-05 4.9e-06 2.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.25906905394e-14 2.78778734316e-14 5.783857648740001e-14 ] [ 4.6463122386e-14 -4.34189867814e-14 -6.072249442859999e-14 ] [ 5.671705284359999e-14 -4.053506884019999e-14 -8.20314436608e-14 ] [ -7.01753365692e-14 4.838573434679999e-14 4.165659248399999e-14 ] [ -5.54353115364e-14 7.850665506599998e-15 4.325876911799999e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }