{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.256228 0.2353278 1.625271 ] [ 0.7175946 2.735818 1.079118 ] [ 2.902295 0.4260222 2.532348 ] [ 1.615511 1.481432 2.901286 ] [ 2.936652 2.941975 2.695922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.256228e-10 2.353278e-11 1.625271e-10 ] [ 7.175946e-11 2.735818e-10 1.079118e-10 ] [ 2.902295e-10 4.260222e-11 2.532348e-10 ] [ 1.615511e-10 1.481432e-10 2.901286e-10 ] [ 2.936652e-10 2.941975e-10 2.695922e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -99.4930135 -43.6003116 -85.061053 ] [ -0.04844 0.1679248 0.3943475 ] [ 161.544288 -51.6148414 29.8453021 ] [ -77.8065778 74.3018231 58.1623484 ] [ 15.8037433 20.7454051 -3.340945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.594053801626388e-07 -6.985539990511505e-08 -1.362828304572297e-07 ] [ -7.7609435511552e-11 2.690451886125159e-10 6.318143449709279e-10 ] [ 2.58822481457382e-07 -8.269609217737995e-08 4.781744526533315e-08 ] [ -1.246598798956163e-07 1.190446438536374e-07 9.318635481730429e-08 ] [ 2.532038803638464e-08 3.323780304024509e-08 -5.352783970378656e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 48.43335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.759878103702368e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1454348 0.1023795 1.1832886 ] [ 0.078762 2.4555177 0.9007081 ] [ 3.3382712 0.3713331 2.5117881 ] [ 1.2205432 1.9983954 3.1767115 ] [ 3.6452694 2.8929493 3.0614487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1454348e-10 1.023795e-11 1.1832886e-10 ] [ 7.8762e-12 2.4555177e-10 9.007081000000001e-11 ] [ 3.3382712e-10 3.713331e-11 2.5117881e-10 ] [ 1.2205432e-10 1.9983954e-10 3.1767115e-10 ] [ 3.6452694e-10 2.8929493e-10 3.0614487e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 -3.2e-06 1.19e-05 ] [ -1.06e-05 1.74e-05 -3.4e-06 ] [ 1.37e-05 1e-07 3.4e-06 ] [ -1.3e-05 -7.6e-06 -8.6e-06 ] [ 3.6e-06 -6.7e-06 -3.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 -5.126965186560001e-15 1.906590178752e-14 ] [ -1.698307218048e-14 2.787787320192e-14 -5.44740051072e-15 ] [ 2.194981970496e-14 1.6021766208e-16 5.44740051072e-15 ] [ -2.08282960704e-14 -1.217654231808e-14 -1.377871893888e-14 ] [ 5.76783583488e-15 -1.073458335936e-14 -5.28718284864e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.638041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.505490368531185e-18 } }