{ "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" [ [ 1.180741 1.807495 3.286589 ] [ 1.505757 3.902776 3.777072 ] [ 3.192251 2.03593 2.264645 ] [ 4.9286 1.191695 3.764737 ] [ 3.540921 2.872007 4.34408 ] [ 3.412542 4.892248 3.711531 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.180741e-10 1.807495e-10 3.286589e-10 ] [ 1.505757e-10 3.902776e-10 3.777072e-10 ] [ 3.192251e-10 2.03593e-10 2.264645e-10 ] [ 4.928600000000001e-10 1.191695e-10 3.764737e-10 ] [ 3.540921e-10 2.872007e-10 4.34408e-10 ] [ 3.412542e-10 4.892248000000001e-10 3.711531e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4005601 -1.2748402 -0.3463673 ] [ -2.5854101 1.0160021 0.4074805 ] [ 0.7862479 -0.9263163 -0.5594692 ] [ -0.0198227 -0.1445236 -0.8193948 ] [ 0.4484114 -1.3814061 2.0930188 ] [ 1.7711335 2.7110841 -0.775268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4176802744531e-10 -2.042519163695996e-09 -5.549415902696198e-10 ] [ -4.142283617400189e-09 1.627814811303704e-09 6.528557305318945e-10 ] [ 1.259708003533096e-09 -1.484122319325959e-09 -8.963684722976794e-10 ] [ -3.175946650113216e-11 -2.315523330738509e-10 -1.312815191765092e-09 ] [ 7.184342615801972e-10 -2.213256557250507e-09 3.353385788254871e-09 ] [ 2.837668686015676e-09 4.343635562042609e-09 -1.242116264454374e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.372216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.62311817058877e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7005124 2.104217 3.5665035 ] [ 1.3491324 4.3249941 3.1746318 ] [ 3.0481311 1.1043415 2.019549 ] [ 4.8831478 1.6435093 3.2155249 ] [ 3.5957543 2.6610037 4.8017812 ] [ 3.184134 4.8640854 4.3706635 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7005124e-10 2.104217e-10 3.5665035e-10 ] [ 1.3491324e-10 4.3249941e-10 3.1746318e-10 ] [ 3.0481311e-10 1.1043415e-10 2.019549e-10 ] [ 4.8831478e-10 1.6435093e-10 3.2155249e-10 ] [ 3.5957543e-10 2.6610037e-10 4.8017812e-10 ] [ 3.184134e-10 4.8640854e-10 4.3706635e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.54e-05 -2.12e-05 1.63e-05 ] [ -1.88e-05 8.6e-06 -3.41e-05 ] [ -1.81e-05 3.69e-05 -1.53e-05 ] [ -3.96e-05 -1.84e-05 2.15e-05 ] [ 3.86e-05 -2.76e-05 1.47e-05 ] [ -1.74e-05 2.18e-05 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.876058479231999e-14 -3.396614436096001e-14 2.611547891904e-14 ] [ -3.012092047104e-14 1.377871893888e-14 -5.463422276928e-14 ] [ -2.899939683648e-14 5.912031730752001e-14 -2.451330229824e-14 ] [ -6.344619418368e-14 -2.948004982272e-14 3.44467973472e-14 ] [ 6.184401756288e-14 -4.422007473408001e-14 2.355199632576e-14 ] [ -2.787787320192e-14 3.492745033344e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.015325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.886373253111376e-18 } }