{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.407318 2.912531 0.4915679 ] [ 2.588763 3.80351 2.492541 ] [ 3.156708 1.860824 1.786936 ] [ 3.58937 3.640178 0.244631 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.407318e-10 2.912531e-10 4.915679e-11 ] [ 2.588763e-10 3.80351e-10 2.492541e-10 ] [ 3.156708e-10 1.860824e-10 1.786936e-10 ] [ 3.58937e-10 3.640178e-10 2.44631e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4681845 -0.5649198 -1.4910236 ] [ -1.6351503 6.0868921 4.0992112 ] [ 2.5150918 -7.7817152 0.1196858 ] [ 3.5882431 2.259743 -2.7278733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.158820802300971e-09 -9.051013036439531e-10 -2.388883172662562e-09 ] [ -2.61979960373809e-09 9.75227629629919e-09 6.5676604024711e-09 ] [ 4.029621314325001e-09 -1.246768226588264e-08 1.917577921815972e-10 ] [ 5.748999251931724e-09 3.620507433445062e-09 -4.370534861772472e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.148047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.248080614133798e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3656484 2.9060694 0.477722 ] [ 2.5737246 3.8607844 2.5320428 ] [ 3.1792828 1.7893331 1.7867791 ] [ 3.6235033 3.6608562 0.219132 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3656484e-10 2.9060694e-10 4.77722e-11 ] [ 2.5737246e-10 3.8607844e-10 2.5320428e-10 ] [ 3.1792828e-10 1.7893331e-10 1.7867791e-10 ] [ 3.6235033e-10 3.6608562e-10 2.19132e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.0109044 -0.2572203 -0.3565322 ] [ -0.3366891 1.3940566 1.1015788 ] [ 0.4651904 -1.5932938 -0.0912354 ] [ 0.8824031 0.4564575 -0.6538112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.61964740888779e-09 -4.121123544504702e-10 -5.712275601086148e-10 ] [ -5.394354089424894e-10 2.233524910993485e-09 1.764923813869759e-09 ] [ 7.453171892411134e-10 -2.552738097457069e-09 -1.461752260736436e-10 ] [ 1.413765628589165e-09 7.313255409140549e-10 -1.047521027687501e-09 ] ] } "relaxed-potential-energy" { "source-value" -6.1113958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.791535551885737e-19 } }