{ "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" [ [ 0.5419945 1.059703 1.497036 ] [ 0.5287309 2.297187 0.1799033 ] [ 1.173246 2.181689 2.79912 ] [ 2.288869 1.000101 0.1162968 ] [ 2.25753 0.9328521 1.885741 ] [ 2.965412 2.910996 0.3877363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.419945000000001e-11 1.059703e-10 1.497036e-10 ] [ 5.287309e-11 2.297187e-10 1.799033e-11 ] [ 1.173246e-10 2.181689e-10 2.79912e-10 ] [ 2.288869e-10 1.000101e-10 1.162968e-11 ] [ 2.25753e-10 9.328521e-11 1.885741e-10 ] [ 2.965412e-10 2.910996e-10 3.877363e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -64.0107008 -41.6544081 0.5516083 ] [ -7.6691357 21.8790982 -25.8895163 ] [ -11.4791105 51.9839157 45.1240704 ] [ 11.986308 -4.4395608 -41.7601026 ] [ 62.2512377 -39.6420255 22.9204876 ] [ 8.9214012 11.8729804 -0.9465473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.025564483027839e-07 -6.673771881108215e-08 8.837739220992327e-10 ] [ -1.228730992028264e-08 3.505417962022736e-08 -4.147957773968053e-08 ] [ -1.83915624706798e-08 8.328741439217806e-08 7.229673063021331e-08 ] [ 1.920418244730801e-08 -7.112960520380145e-09 -6.69070600679293e-08 ] [ 9.973747765880355e-08 -6.351352645725743e-08 3.67226693700563e-08 ] [ 1.429366042741706e-08 1.902261161609663e-08 -1.516535954541364e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 33.790537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.413840838567737e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2397368 0.9361724 2.044471 ] [ 0.1746809 2.125304 -0.156137 ] [ 0.2801334 2.6403515 3.7338921 ] [ 2.5292995 1.3134288 -0.3961038 ] [ 2.5943464 0.1242763 1.8044956 ] [ 3.9375855 3.2429951 -0.1647844 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.397368e-11 9.361724e-11 2.044471e-10 ] [ 1.746809e-11 2.125304e-10 -1.56137e-11 ] [ 2.801334e-11 2.6403515e-10 3.7338921e-10 ] [ 2.5292995e-10 1.3134288e-10 -3.961038e-11 ] [ 2.5943464e-10 1.242763e-11 1.8044956e-10 ] [ 3.9375855e-10 3.2429951e-10 -1.647844e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.6e-06 -6.1e-06 8.4e-06 ] [ 1.13e-05 1.4e-06 -6.2e-06 ] [ 3.6e-06 -3.5e-06 5e-07 ] [ -2e-06 3.3e-06 -5e-07 ] [ -1e-07 1.04e-05 -1.4e-06 ] [ -3.1e-06 -5.4e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.538089555968e-14 -9.77327738688e-15 1.345828361472e-14 ] [ 1.810459581504e-14 2.24304726912e-15 -9.93349504896e-15 ] [ 5.76783583488e-15 -5.6076181728e-15 8.010883104e-16 ] [ -3.2043532416e-15 5.28718284864e-15 -8.010883104e-16 ] [ -1.6021766208e-16 1.666263685632e-14 -2.24304726912e-15 ] [ -4.96674752448e-15 -8.65175375232e-15 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.077539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.736123372660022e-18 } }