{ "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" [ [ 1.302275 0.3737398 2.647818 ] [ 0.2826825 1.480501 1.727575 ] [ 0.6414777 2.53008 2.452953 ] [ 2.763361 0.4669357 0.177905 ] [ 2.062003 2.101671 0.3497139 ] [ 2.601995 2.989286 1.853157 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.302275e-10 3.737398e-11 2.647818e-10 ] [ 2.826825e-11 1.480501e-10 1.727575e-10 ] [ 6.414777000000001e-11 2.53008e-10 2.452953e-10 ] [ 2.763361e-10 4.669357e-11 1.77905e-11 ] [ 2.062003e-10 2.101671e-10 3.497139e-11 ] [ 2.601995e-10 2.989286e-10 1.853157e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.4186021 -26.6676771 16.666053 ] [ -46.4343179 -58.4738099 -51.4520873 ] [ 8.3668575 72.0967289 54.3201654 ] [ 8.4823617 -17.2432473 -4.0540776 ] [ -0.2121276 10.694401 -25.7794447 ] [ 20.3786242 19.5936043 10.2993911 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.509026408523778e-08 -4.272632878066354e-08 2.670196047761371e-08 ] [ -7.439597854217496e-08 -9.368537115088358e-08 -8.243533136342059e-08 ] [ 1.340518347606514e-08 1.155116934797357e-07 8.703049904186909e-08 ] [ 1.359024160490934e-08 -2.762672769073272e-08 -6.495348349628975e-09 ] [ -3.398658813464141e-10 1.713431925566014e-08 -4.130322359554647e-08 ] [ 3.265015525730911e-08 3.139241472666635e-08 1.65014436288956e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.010864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.968488129160838e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2804224 0.0293241 2.5002079 ] [ -0.2574024 1.5768954 1.0881909 ] [ 1.0200759 2.5350205 3.1384883 ] [ 3.1362834 0.5825746 1.0853178 ] [ 1.5984579 2.1301484 -0.3266988 ] [ 2.875957 3.0882505 1.7236158 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2804224e-10 2.93241e-12 2.5002079e-10 ] [ -2.574024e-11 1.5768954e-10 1.0881909e-10 ] [ 1.0200759e-10 2.5350205e-10 3.1384883e-10 ] [ 3.1362834e-10 5.825746000000001e-11 1.0853178e-10 ] [ 1.5984579e-10 2.1301484e-10 -3.266988e-11 ] [ 2.875957e-10 3.0882505e-10 1.7236158e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-05 -1.1e-06 8e-07 ] [ -1.35e-05 4.9e-06 8.2e-06 ] [ -1.2e-06 -8.9e-06 4.4e-06 ] [ 1.64e-05 -1.82e-05 -7.4e-06 ] [ 2.05e-05 3.1e-06 1.35e-05 ] [ -1.12e-05 2.01e-05 -1.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-14 -1.76239428288e-15 1.28174129664e-15 ] [ -2.16293843808e-14 7.850665441919999e-15 1.313784829056e-14 ] [ -1.92261194496e-15 -1.425937192512e-14 7.04957713152e-15 ] [ 2.627569658112e-14 -2.915961449856e-14 -1.185610699392e-14 ] [ 3.28446207264e-14 4.96674752448e-15 2.16293843808e-14 ] [ -1.794437815296e-14 3.220375007808e-14 -3.108222644352e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }