{ "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" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.4631713 0.1549393 3.4677168 ] [ -364.9903306 549.1236418 356.682251 ] [ 164.0367574 -737.5894397 -393.7213724 ] [ -1655.5023329 -2465.7173625 -473.9820742 ] [ 209.5409524 183.2710019 40.6978268 ] [ 1655.3781251 2470.7572193 466.855652 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.355949519468554e-08 2.482401241031174e-10 5.55589478451539e-09 ] [ -5.847789745053828e-07 8.797930608205137e-07 5.714679636065174e-07 ] [ 2.628158576581214e-07 -1.181748556036311e-06 -6.308111779685704e-07 ] [ -2.652407133452239e-06 -3.950514711698138e-06 -7.594029979615309e-07 ] [ 3.357216150354457e-07 2.936325145147723e-07 6.520510661632768e-08 ] [ 2.652208130618958e-06 3.958589452435279e-06 7.479852109227409e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 422.17181 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.763938039428196e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.188921 0.6095098 1.9767375 ] [ 0.7573375 2.6050667 1.9685044 ] [ 0.9119137 1.305768 0.1801835 ] [ 2.0144302 0.754305 2.0215162 ] [ 2.6549179 2.508238 0.8283442 ] [ 2.685406 2.5924509 3.0455932 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.88921e-11 6.095098e-11 1.9767375e-10 ] [ 7.573375e-11 2.6050667e-10 1.9685044e-10 ] [ 9.119137000000001e-11 1.305768e-10 1.801835e-11 ] [ 2.0144302e-10 7.543050000000001e-11 2.0215162e-10 ] [ 2.6549179e-10 2.508238e-10 8.283442e-11 ] [ 2.685406e-10 2.5924509e-10 3.0455932e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.06e-05 -3.93e-05 -2.25e-05 ] [ 2.51e-05 -1.46e-05 -2.5e-06 ] [ 2.87e-05 3.98e-05 0.0001012 ] [ -4.29e-05 7.64e-05 -7.85e-05 ] [ -8.9e-06 -8.77e-05 -1.65e-05 ] [ -1.26e-05 2.54e-05 1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.698307218048e-14 -6.296554119743999e-14 -3.604897396800001e-14 ] [ 4.021463318208e-14 -2.339177866368e-14 -4.005441552e-15 ] [ 4.598246901696e-14 6.376662950784e-14 1.6214027402496e-13 ] [ -6.873337703232e-14 1.2240629382912e-13 -1.257708647328e-13 ] [ -1.425937192512e-14 -1.4051088964416e-13 -2.64359142432e-14 ] [ -2.018742542208e-14 4.069528616832e-14 3.012092047104e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }