{ "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" [ [ 1.797173 1.880519 2.621604 ] [ 2.732492 2.231734 4.550403 ] [ 1.229923 3.945183 3.396256 ] [ 3.798537 2.960677 2.455754 ] [ 3.373455 4.934702 3.584472 ] [ 4.913806 3.358248 4.34106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.797173e-10 1.880519e-10 2.621604e-10 ] [ 2.732492e-10 2.231734e-10 4.550403000000001e-10 ] [ 1.229923e-10 3.945183e-10 3.396256e-10 ] [ 3.798537e-10 2.960677e-10 2.455754e-10 ] [ 3.373455e-10 4.934702e-10 3.584472e-10 ] [ 4.913806e-10 3.358248e-10 4.34106e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2600578 -3.3977366 -6.2090591 ] [ -0.0295348 -8.0352742 15.6461534 ] [ -6.603644 5.4082751 -0.0119115 ] [ 4.1314217 -2.2993916 -16.5397711 ] [ -2.6259214 10.1050189 -1.5086687 ] [ 8.3877363 -1.7808915 8.623257 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.223188389616683e-09 -5.443774144156482e-09 -9.948009327185488e-09 ] [ -4.731996606000384e-11 -1.287392846495742e-08 2.506790118293043e-08 ] [ -1.05802040288862e-08 8.665011924074781e-09 -1.90843268186592e-11 ] [ 6.619267258405791e-09 -3.684031463583905e-09 -2.64996345698035e-08 ] [ -4.207189875138405e-09 1.619002503432213e-08 -2.417153719672729e-09 ] [ 1.34386350012955e-08 -2.853302725481443e-09 1.381598076054995e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3889048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.02361539030769e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9143675 2.0052065 2.8478127 ] [ 2.9820449 1.7260988 5.1167216 ] [ 1.0518137 4.3251256 3.0723787 ] [ 4.1466231 2.4828263 1.7732553 ] [ 3.1556469 5.3987195 4.0483022 ] [ 4.5948899 3.3730863 4.0910784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9143675e-10 2.0052065e-10 2.8478127e-10 ] [ 2.9820449e-10 1.7260988e-10 5.116721600000001e-10 ] [ 1.0518137e-10 4.3251256e-10 3.0723787e-10 ] [ 4.1466231e-10 2.4828263e-10 1.7732553e-10 ] [ 3.1556469e-10 5.3987195e-10 4.0483022e-10 ] [ 4.5948899e-10 3.3730863e-10 4.0910784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-05 -8.8e-06 4e-06 ] [ -1.68e-05 3.51e-05 -2.36e-05 ] [ -3.93e-05 7.8e-06 3.37e-05 ] [ 4e-07 4.89e-05 4.06e-05 ] [ -1.93e-05 2.15e-05 -5.16e-05 ] [ 2.8e-05 -0.0001044 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.530230117759999e-14 -1.409915426304e-14 6.4087064832e-15 ] [ -2.691656722944e-14 5.623639939008e-14 -3.781136825088e-14 ] [ -6.296554119743999e-14 1.249697764224e-14 5.399335212096e-14 ] [ 6.408706483200001e-16 7.834643675712001e-14 6.504837080448e-14 ] [ -3.092200878144e-14 3.44467973472e-14 -8.267231363328e-14 ] [ 4.48609453824e-14 -1.6726723921152e-13 -4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586596703968e-18 } }