{ "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" [ [ 1.063375 0.5708417 2.359419 ] [ 2.68579 2.886891 2.868985 ] [ 0.6763911 2.686272 1.583941 ] [ 2.607368 0.7750333 4.497523 ] [ 3.625325 0.6457468 2.38821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.063375e-10 5.708417e-11 2.359419e-10 ] [ 2.68579e-10 2.886891e-10 2.868985e-10 ] [ 6.763911e-11 2.686272e-10 1.583941e-10 ] [ 2.607368e-10 7.750333e-11 4.497523e-10 ] [ 3.625325e-10 6.457468e-11 2.38821e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.6964647 -37.8822909 2.7051621 ] [ 8.5211898 22.6849158 9.7492045 ] [ -7.453297 22.6166757 -9.5481991 ] [ -17.0641499 6.2240699 36.9120372 ] [ 29.6927219 -13.6433706 -39.8182047 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.194415552995248e-08 -6.06941208223246e-08 4.334147472094232e-09 ] [ 1.365245107895943e-08 3.634524173957653e-08 1.561994752129815e-08 ] [ -1.194149820127878e-08 3.623590904675547e-08 -1.52979013687636e-08 ] [ -2.733978202360666e-08 9.972059280004994e-09 5.91396030279399e-08 ] [ 4.757298483609616e-08 -2.185908940423007e-08 -6.379579665256867e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.545993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.010089666932046e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9308353 -0.057906 2.3014179 ] [ 3.1251278 3.2526398 3.0364032 ] [ 0.6184699 2.7450402 1.7076085 ] [ 2.2013021 1.0232981 4.7372152 ] [ 3.7825141 0.6017127 1.9154332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.308353000000001e-11 -5.7906e-12 2.3014179e-10 ] [ 3.1251278e-10 3.2526398e-10 3.0364032e-10 ] [ 6.184699e-11 2.7450402e-10 1.7076085e-10 ] [ 2.2013021e-10 1.0232981e-10 4.737215199999999e-10 ] [ 3.7825141e-10 6.017127000000001e-11 1.9154332e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.1e-06 1.22e-05 1.72e-05 ] [ -7.8e-06 8.2e-06 4.5e-06 ] [ 7.7e-06 -7.5e-06 8.2e-06 ] [ -1.51e-05 -1.6e-06 -1.69e-05 ] [ 1.02e-05 -1.14e-05 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.17110076608e-15 1.954655477376e-14 2.755743787776e-14 ] [ -1.249697764224e-14 1.313784829056e-14 7.2097947936e-15 ] [ 1.233675998016e-14 -1.2016324656e-14 1.313784829056e-14 ] [ -2.419286697408e-14 -2.56348259328e-15 -2.707678489152e-14 ] [ 1.634220153216e-14 -1.826481347712e-14 -2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }