{ "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" [ [ 2.619068 2.165174 1.589354 ] [ 4.694039 1.985014 2.658467 ] [ 3.289805 2.94692 4.226906 ] [ 3.352089 4.483007 2.429606 ] [ 5.033516 4.030044 3.913159 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.619068e-10 2.165174e-10 1.589354e-10 ] [ 4.694039000000001e-10 1.985014e-10 2.658467e-10 ] [ 3.289805e-10 2.94692e-10 4.226906e-10 ] [ 3.352089e-10 4.483007e-10 2.429606e-10 ] [ 5.033516e-10 4.030044e-10 3.913159e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3671131 0.8694247 0.5684234 ] [ 0.4193369 -0.5153361 -0.1431369 ] [ -3.0768593 -1.7837631 0.5846646 ] [ -0.8931572 -0.1187961 -0.7872931 ] [ 3.1835665 1.5484706 -0.222658 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.881800260094126e-10 1.392971927886054e-09 9.107146821956467e-10 ] [ 6.718517774187475e-10 -8.256594512742509e-10 -2.293305947537875e-10 ] [ -4.929672035951053e-09 -2.857903535865733e-09 9.367359531293837e-10 ] [ -1.43099558453919e-09 -1.903323340622189e-10 -1.261382598537156e-09 ] [ 5.100635817062083e-09 2.480923393316149e-09 -3.567374420340864e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.398166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.986405170599745e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8181404 2.3857567 1.7417969 ] [ 4.8440682 1.7478039 2.8594862 ] [ 3.0919604 2.8319138 4.0771373 ] [ 3.1042101 4.6413187 2.510691 ] [ 5.1301378 4.0033659 3.6283807 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8181404e-10 2.3857567e-10 1.7417969e-10 ] [ 4.8440682e-10 1.7478039e-10 2.8594862e-10 ] [ 3.0919604e-10 2.8319138e-10 4.077137300000001e-10 ] [ 3.1042101e-10 4.6413187e-10 2.510691e-10 ] [ 5.130137800000001e-10 4.0033659e-10 3.6283807e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 -5.4e-06 -5.7e-06 ] [ 2.7e-06 -6.2e-06 -1e-07 ] [ -3e-07 1e-07 1.4e-06 ] [ -1.8e-06 6.3e-06 5e-07 ] [ 4.5e-06 5.1e-06 3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 -8.65175375232e-15 -9.13240673856e-15 ] [ 4.32587687616e-15 -9.93349504896e-15 -1.6021766208e-16 ] [ -4.8065298624e-16 1.6021766208e-16 2.24304726912e-15 ] [ -2.88391791744e-15 1.009371271104e-14 8.010883104e-16 ] [ 7.2097947936e-15 8.17110076608e-15 6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }