{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2599234 -0.0416546 -0.6612881 ] [ -0.2307041 1.2213857 0.6026279 ] [ -6.5839399 -0.4314777 3.7362631 ] [ -2.4376258 -6.7597005 -5.8040283 ] [ 0.9258114 0.4247748 4.6807462 ] [ 6.0291273 5.1558229 -4.0447897 ] [ 4.5572547 0.4308494 1.4904688 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.620796466109835e-09 -6.673802681861639e-11 -1.059500342162255e-09 ] [ -3.696287183879994e-10 1.956875629641734e-09 9.655163403764886e-10 ] [ -1.05486346674403e-08 -6.913034890320617e-10 5.986153437296405e-09 ] [ -3.905507099195557e-09 -1.083023419393811e-08 -9.29907852533474e-09 ] [ 1.483313392570827e-09 6.805642592720232e-10 7.499382191324289e-09 ] [ 9.659726883471508e-09 8.26053897942212e-09 -6.480467546783869e-09 ] [ 7.301526995526679e-09 6.902968414529196e-10 2.387994285066019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.343157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.977591773519354e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4951669 0.6703301 3.7275973 ] [ 1.6000427 3.0386995 3.8242646 ] [ 1.7702424 5.2620134 2.978098 ] [ 3.269671 2.3541342 2.042693 ] [ 3.6625245 2.4047286 5.1063337 ] [ 3.829328 4.795625 1.9081801 ] [ 5.1475096 3.3004439 3.4191553 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4951669e-10 6.703301e-11 3.7275973e-10 ] [ 1.6000427e-10 3.0386995e-10 3.8242646e-10 ] [ 1.7702424e-10 5.2620134e-10 2.978098e-10 ] [ 3.269671e-10 2.3541342e-10 2.042693e-10 ] [ 3.6625245e-10 2.4047286e-10 5.1063337e-10 ] [ 3.829328e-10 4.795625e-10 1.9081801e-10 ] [ 5.1475096e-10 3.3004439e-10 3.4191553e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0010732 -0.011836 0.0060402 ] [ -0.007661 0.0007535 -0.0055804 ] [ 0.0041333 0.0014114 0.0081029 ] [ 0.008596 0.01452 -0.0088401 ] [ -0.0002077 0.0090195 0.004371 ] [ 0.0038276 -0.0165166 0.0068891 ] [ -0.0097613 0.0026481 -0.0109827 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.7194559636088e-12 -1.8963362640024e-11 9.677467304686798e-12 ] [ -1.2274275193074e-11 1.207240093719e-12 -8.940786488373599e-12 ] [ 6.6222766813122e-12 2.2613121012276e-12 1.29822770476386e-11 ] [ 1.3772310345864e-11 2.326360472568e-11 -1.41634016622234e-11 ] [ -3.327720868818e-13 1.4450832150363e-11 7.003114067213999e-12 ] [ 6.132491284298399e-12 -2.64625105931244e-11 1.10375550492894e-11 ] [ -1.56393267774642e-11 4.242723944495399e-12 -1.75962253182318e-11 ] ] } "relaxed-potential-energy" { "source-value" -17.055618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.732611263802981e-18 } }