{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7976777 -4.6615503 -5.8832328 ] [ -1.1828219 -0.6408615 -0.7460054 ] [ 5.5179953 -1.5499384 2.833452 ] [ -4.6520213 3.3317735 -1.217891 ] [ 1.7886346 0.9648417 -1.2117047 ] [ -1.2551904 -2.0985857 3.6186307 ] [ 2.5810814 4.6543206 2.606751 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.482373803473516e-09 -7.468626907343226e-09 -9.425978046883721e-09 ] [ -1.895089594750236e-09 -1.026773312470819e-09 -1.195232410870552e-09 ] [ 8.840803063344282e-09 -2.483275068160159e-09 4.539690550559001e-09 ] [ -7.453359766323624e-09 5.33808960750099e-09 -1.951276486882733e-09 ] [ 2.865708539273959e-09 1.545846814512927e-09 -1.941364941653478e-09 ] [ -2.011036713532601e-09 -3.362304945285203e-09 5.797685506849139e-09 ] [ 4.135348275461733e-09 7.45704365102783e-09 4.176475508447021e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.41621 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.110819772654317e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5116498 2.818112 1.0088988 ] [ 1.3396302 2.0297436 2.8888745 ] [ 3.5684468 3.5901158 4.8271435 ] [ 1.5151916 4.1917025 3.7969315 ] [ 4.5648894 2.2165244 2.0391376 ] [ 3.3894658 1.4291452 3.9174017 ] [ 3.5845395 4.3928455 2.5269724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5116498e-10 2.818112e-10 1.0088988e-10 ] [ 1.3396302e-10 2.0297436e-10 2.8888745e-10 ] [ 3.5684468e-10 3.5901158e-10 4.8271435e-10 ] [ 1.5151916e-10 4.1917025e-10 3.7969315e-10 ] [ 4.5648894e-10 2.2165244e-10 2.0391376e-10 ] [ 3.3894658e-10 1.4291452e-10 3.9174017e-10 ] [ 3.5845395e-10 4.3928455e-10 2.5269724e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.12e-05 3.4e-06 -7.8e-06 ] [ 3.77e-05 -1.85e-05 1.63e-05 ] [ -1.53e-05 -1.52e-05 2.64e-05 ] [ 1.02e-05 2.62e-05 -3.12e-05 ] [ 8.9e-06 -1.06e-05 7.4e-06 ] [ -2.6e-06 -4.4e-06 -1.44e-05 ] [ 2.3e-06 1.91e-05 3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.600967677696001e-14 5.44740051072e-15 -1.249697764224e-14 ] [ 6.040205860416e-14 -2.96402674848e-14 2.611547891904e-14 ] [ -2.451330229824e-14 -2.435308463616e-14 4.229746278912e-14 ] [ 1.634220153216e-14 4.197702746496e-14 -4.998791056896e-14 ] [ 1.425937192512e-14 -1.698307218048e-14 1.185610699392e-14 ] [ -4.16565921408e-15 -7.04957713152e-15 -2.307134333952e-14 ] [ 3.68500622784e-15 3.060157345728e-14 5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }