{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 203.9867903 -634.8737484 120.714382 ] [ -200.8121947 622.5713955 -121.6316491 ] [ -218.4432584 -57.5484999 5.4830936 ] [ 0.0841564 -0.3113164 -1.7698957 ] [ -4.5377762 2.2916827 3.3458236 ] [ 219.7222825 67.8704865 -6.1417544 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.268228663706922e-07 -1.017179876846141e-06 1.934057606347203e-07 ] [ -3.217366035198776e-07 9.974693346489303e-07 -1.948753845373694e-07 ] [ -3.499846815798532e-07 -9.220286110189115e-08 8.784884375578108e-09 ] [ 1.348334165706931e-10 -4.987838577516211e-10 -2.83568551179445e-09 ] [ -7.270318938062664e-09 3.67168044423182e-09 5.360600349240891e-09 ] [ 3.52033904090313e-07 1.08740506712622e-07 -9.840175310375532e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 144.31436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.312170936377147e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0802206 0.1667213 1.1444961 ] [ -0.1424247 2.4279991 0.1237286 ] [ -0.0800369 2.013969 2.7067171 ] [ 2.833348 -0.23366 2.9944635 ] [ 2.4611756 2.3317651 0.366967 ] [ 2.4662209 2.2913388 2.9384193 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0802206e-10 1.667213e-11 1.1444961e-10 ] [ -1.424247e-11 2.4279991e-10 1.237286e-11 ] [ -8.003689999999999e-12 2.013969e-10 2.7067171e-10 ] [ 2.833348e-10 -2.3366e-11 2.9944635e-10 ] [ 2.4611756e-10 2.3317651e-10 3.66967e-11 ] [ 2.4662209e-10 2.2913388e-10 2.9384193e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.31e-05 -1.1e-06 4.1e-06 ] [ -8.1e-06 -2.12e-05 -2.62e-05 ] [ 1.46e-05 3.2e-05 -1.36e-05 ] [ 2.8e-05 -6.9e-06 -1.68e-05 ] [ -1.11e-05 7.4e-06 1.63e-05 ] [ -4e-07 -1.03e-05 3.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.701027994048e-14 -1.76239428288e-15 6.568924145279999e-15 ] [ -1.297763062848e-14 -3.396614436096001e-14 -4.197702746496e-14 ] [ 2.339177866368e-14 5.12696518656e-14 -2.178960204288e-14 ] [ 4.48609453824e-14 -1.105501868352e-14 -2.691656722944e-14 ] [ -1.778416049088e-14 1.185610699392e-14 2.611547891904e-14 ] [ -6.408706483200001e-16 -1.650241919424e-14 5.799879367296e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.401793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.26872757670011e-18 } }