{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.1139834 -4.6143451 -1.5021442 ] [ -23.2552346 -15.003071 -15.3839345 ] [ -5.8636205 9.5321359 2.6628687 ] [ 6.1443884 -6.2714622 -5.9352088 ] [ 10.5518432 -1.9980687 15.1552632 ] [ 23.5366068 18.354811 5.0031555 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.780656436743929e-08 -7.392995839523039e-09 -2.40670031831032e-09 ] [ -3.725899318733925e-08 -2.403756959640248e-08 -2.464778019181854e-08 ] [ -9.394555678343606e-09 1.527216528526837e-08 4.266385975400089e-09 ] [ 9.84439544359472e-09 -1.004799011507093e-08 -9.509252778926423e-09 ] [ 1.690591648138746e-08 -3.201258957892249e-09 2.428140838111059e-08 ] [ 3.77098011479223e-08 2.940764906340267e-08 8.015938772326935e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8724608 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.602189537924465e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.051595 0.9775558 2.2232193 ] [ 1.1722181 0.9874997 0.2174229 ] [ 1.2607595 2.8219312 3.0330864 ] [ 3.1948905 0.5742318 1.4494516 ] [ 1.9710705 0.5642506 3.455242 ] [ 2.4845523 2.8319013 1.0272791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.1595e-12 9.775558e-11 2.2232193e-10 ] [ 1.1722181e-10 9.874997e-11 2.174229e-11 ] [ 1.2607595e-10 2.8219312e-10 3.033086400000001e-10 ] [ 3.1948905e-10 5.742318e-11 1.4494516e-10 ] [ 1.9710705e-10 5.642506e-11 3.455242e-10 ] [ 2.4845523e-10 2.8319013e-10 1.0272791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.64e-05 -1.19e-05 -7e-06 ] [ 3.04e-05 4.42e-05 -5.4e-06 ] [ -1.25e-05 -2e-07 5.2e-06 ] [ -4.36e-05 6.8e-06 -1.76e-05 ] [ 7.2e-06 -2e-07 4.87e-05 ] [ -7.8e-06 -3.88e-05 -2.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.229746278912e-14 -1.906590178752e-14 -1.12152363456e-14 ] [ 4.870616927232e-14 7.081620663936001e-14 -8.65175375232e-15 ] [ -2.002720776e-14 -3.2043532416e-16 8.33131842816e-15 ] [ -6.985490066688e-14 1.089480102144e-14 -2.819830852608e-14 ] [ 1.153567166976e-14 -3.2043532416e-16 7.802600143296e-14 ] [ -1.249697764224e-14 -6.216445288704e-14 -3.84522388992e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.817009 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.014817189318319e-18 } }