{ "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" [ [ 0.7045014 0.2355369 2.055051 ] [ 1.708902 0.7477632 0.4591625 ] [ 1.937226 0.5087463 2.438455 ] [ 2.901588 1.905013 2.706295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.045014e-11 2.355369e-11 2.055051e-10 ] [ 1.708902e-10 7.477632e-11 4.591625e-11 ] [ 1.937226e-10 5.087463e-11 2.438455e-10 ] [ 2.901588e-10 1.905013e-10 2.706295e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13276.2929968 -2948.5896679 -4082.1193138 ] [ 22.5965914 17.1637811 -65.9478275 ] [ 13044.6804402 2627.0060453 4091.8071037 ] [ 209.0159652 304.4198416 56.2600376 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.127096625036373e-05 -4.724161430241817e-06 -6.540276127886498e-06 ] [ 3.620373045085034e-08 2.749940880294891e-08 -1.056600674130513e-07 ] [ 2.089988202709549e-05 4.208927668479926e-06 6.555797678371501e-06 ] [ 3.348804928173864e-07 4.877343531191592e-07 9.013851692804894e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1524.7396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.442902139927944e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.4751219 0.7282776 2.123206 ] [ 2.0680951 0.8204986 0.5797182 ] [ 2.4612139 -0.179836 2.5221941 ] [ 2.2477865 2.0281192 2.4338451 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.751219e-11 7.282776e-11 2.123206e-10 ] [ 2.0680951e-10 8.204986e-11 5.797182e-11 ] [ 2.4612139e-10 -1.79836e-11 2.5221941e-10 ] [ 2.2477865e-10 2.0281192e-10 2.4338451e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.03e-05 5.5e-06 5.6e-06 ] [ 6.8e-06 -5.8e-06 -8.9e-06 ] [ 7.3e-06 -1.07e-05 -2.1e-06 ] [ -3.9e-06 1.1e-05 5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.650241919424e-14 8.8119714144e-15 8.972189076479999e-15 ] [ 1.089480102144e-14 -9.292624400640001e-15 -1.425937192512e-14 ] [ 1.169588933184e-14 -1.714328984256e-14 -3.36457090368e-15 ] [ -6.24848882112e-15 1.76239428288e-14 8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.027265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.048503914076612e-18 } }