{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 32.2059303 -104.10109 -43.2679809 ] [ -47.5635191 66.4679406 33.328128 ] [ 0.6600539 -2.1318222 5.2087461 ] [ 19.0741673 22.2954049 -16.3745137 ] [ -4.3766324 17.4695667 21.1056204 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.159958857777433e-08 -1.667883325977967e-07 -6.932294742720095e-08 ] [ -7.620515830499427e-08 1.064933804620431e-07 5.339754749662986e-08 ] [ 1.057522927047861e-09 -3.415555688542421e-09 8.345331225103179e-09 ] [ 3.056018490928786e-08 3.572117648204976e-08 -2.623486302710931e-08 ] [ -7.012138109115794e-09 2.798933134224621e-08 3.381493157235954e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 28.855942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.623231564356079e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0268819 -0.6798178 0.5887403 ] [ -0.08325 1.4339373 0.4833591 ] [ 0.6137761 0.4411133 2.6430581 ] [ 1.3153063 3.3334118 0.099308 ] [ 0.7837337 2.8059562 2.354654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0268819e-10 -6.798178e-11 5.887403e-11 ] [ -8.325000000000001e-12 1.4339373e-10 4.833591e-11 ] [ 6.137761e-11 4.411133e-11 2.6430581e-10 ] [ 1.3153063e-10 3.3334118e-10 9.9308e-12 ] [ 7.837337e-11 2.8059562e-10 2.354654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 7.9e-06 5.4e-06 ] [ 5e-06 -2.7e-06 5e-06 ] [ 4e-07 1.9e-06 -1.17e-05 ] [ -2.6e-06 -5.8e-06 5.2e-06 ] [ 1e-07 -1.3e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 1.265719530432e-14 8.65175375232e-15 ] [ 8.010883104e-15 -4.32587687616e-15 8.010883104e-15 ] [ 6.408706483200001e-16 3.04413557952e-15 -1.874546646336e-14 ] [ -4.16565921408e-15 -9.292624400640001e-15 8.33131842816e-15 ] [ 1.6021766208e-16 -2.08282960704e-15 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.607069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.180092782941243e-18 } }