{ "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" [ [ -254.668076 -151.3647083 -257.4432898 ] [ 2.9417836 -3.3269622 5.0174877 ] [ 552.7109995 -252.5297093 26.6984229 ] [ -339.0488878 361.1460952 236.6861326 ] [ 38.0641807 46.0752845 -10.9587534 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.080232374313176e-07 -2.425129968524717e-07 -4.124696200993991e-07 ] [ 4.713256907372859e-09 -5.330381055125335e-09 8.038901488091566e-09 ] [ 8.855406414579004e-07 -4.045971962978804e-07 4.277558898261134e-08 ] [ -5.432162013414023e-07 5.786198304226511e-07 3.792129881192887e-07 ] [ 6.098554040744658e-08 7.382074362260862e-08 -1.755785849059251e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 161.89644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.5938669115875e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1375005 0.1081717 1.1801884 ] [ -0.062345 2.3942026 0.8671471 ] [ 3.3434715 0.3798609 2.5205068 ] [ 1.2645342 2.0752499 3.0854235 ] [ 3.7451194 2.8630899 3.1806793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1375005e-10 1.081717e-11 1.1801884e-10 ] [ -6.2345e-12 2.3942026e-10 8.671471e-11 ] [ 3.3434715e-10 3.798609e-11 2.5205068e-10 ] [ 1.2645342e-10 2.0752499e-10 3.0854235e-10 ] [ 3.7451194e-10 2.8630899e-10 3.1806793e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.7e-06 8.7e-06 -3.7e-06 ] [ -9.5e-06 -3.4e-06 3.7e-06 ] [ 1.7e-05 9.6e-06 1.38e-05 ] [ -3.38e-05 -6.2e-06 -1.34e-05 ] [ 3.11e-05 -8.6e-06 -4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.53023011776e-15 1.393893660096e-14 -5.928053496960001e-15 ] [ -1.52206778976e-14 -5.44740051072e-15 5.928053496960001e-15 ] [ 2.72370025536e-14 1.538089555968e-14 2.211003736704e-14 ] [ -5.415356978304e-14 -9.93349504896e-15 -2.146916671872e-14 ] [ 4.982769290688e-14 -1.377871893888e-14 -6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -16.367078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.622294972241002e-18 } }