{ "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" [ [ 0.2482594 0.208506 0.7144033 ] [ 0.1842271 0.5542422 2.415306 ] [ 0.3347056 2.949491 0.3757933 ] [ 2.042519 0.2544893 1.784175 ] [ 2.203059 1.053322 2.694572 ] [ 1.978392 2.822156 1.26577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.482594e-11 2.08506e-11 7.144033e-11 ] [ 1.842271e-11 5.542422e-11 2.415306e-10 ] [ 3.347056e-11 2.949491e-10 3.757933e-11 ] [ 2.042519e-10 2.544893e-11 1.784175e-10 ] [ 2.203059e-10 1.053322e-10 2.694572e-10 ] [ 1.978392e-10 2.822156e-10 1.26577e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5244138 -1.3423963 -12.1970177 ] [ -8.969794 0.9192872 11.0014856 ] [ -6.392979 -1.0612021 -3.2951342 ] [ 3.7042787 -19.1864728 -20.2044325 ] [ 7.5721395 20.6882169 20.3708337 ] [ 7.6107686 -0.0174329 4.3242652 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.646733392384887e-09 -2.150755967708423e-09 -1.954177660242379e-08 ] [ -1.437119424019212e-08 1.472860459640694e-09 1.762632302238786e-08 ] [ -1.024268149106536e-08 -1.700233194563864e-09 -5.279386977638512e-09 ] [ 5.934908730067417e-09 -3.074011815577512e-08 -3.237106938803169e-08 ] [ 1.21319048763362e-08 3.314617744321945e-08 3.263767350034476e-08 ] [ 1.219379551723875e-08 -2.793058481274432e-11 6.928236605579036e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.6007499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.973390548727939e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1122453 0.3754516 0.677865 ] [ -0.2371193 0.5851669 2.9457421 ] [ 0.2798154 2.6082136 0.1338216 ] [ 2.3883646 0.3100628 1.0492582 ] [ 2.0338624 1.2378248 3.25555 ] [ 2.4139937 2.7254868 1.1877828 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.122453e-11 3.754516e-11 6.77865e-11 ] [ -2.371193e-11 5.851669000000001e-11 2.9457421e-10 ] [ 2.798154e-11 2.6082136e-10 1.338216e-11 ] [ 2.3883646e-10 3.100628e-11 1.0492582e-10 ] [ 2.0338624e-10 1.2378248e-10 3.25555e-10 ] [ 2.4139937e-10 2.7254868e-10 1.1877828e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-05 -1.89e-05 8.4e-06 ] [ 3.1e-06 -5e-07 -6.8e-06 ] [ 8.4e-06 1.51e-05 2.7e-06 ] [ 5e-07 1.34e-05 2.15e-05 ] [ -1.5e-06 -1.17e-05 -1.63e-05 ] [ -5e-07 2.7e-06 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-14 -3.028113813312e-14 1.345828361472e-14 ] [ 4.96674752448e-15 -8.010883104e-16 -1.089480102144e-14 ] [ 1.345828361472e-14 2.419286697408e-14 4.32587687616e-15 ] [ 8.010883104e-16 2.146916671872e-14 3.44467973472e-14 ] [ -2.4032649312e-15 -1.874546646336e-14 -2.611547891904e-14 ] [ -8.010883104e-16 4.32587687616e-15 -1.538089555968e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.296262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.290513674123145e-18 } }