{ "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" [ [ 0.5485971 0.5343947 2.664941 ] [ 1.37313 2.35631 1.443365 ] [ 2.145447 0.6526892 0.5854964 ] [ 2.929696 0.0722677 2.986283 ] [ 2.995983 2.738917 0.2990299 ] [ 2.823077 2.78342 2.858653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.485971e-11 5.343947e-11 2.664941e-10 ] [ 1.37313e-10 2.35631e-10 1.443365e-10 ] [ 2.145447e-10 6.526892e-11 5.854964e-11 ] [ 2.929696e-10 7.22677e-12 2.986283e-10 ] [ 2.995983e-10 2.738917e-10 2.990299e-11 ] [ 2.823077e-10 2.78342e-10 2.858653e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7416439 -0.4826065 -0.3458442 ] [ -7.8671527 3.1521895 1.0324764 ] [ 0.8694843 -4.9822306 -0.3817278 ] [ -1.0780026 2.3029656 -1.1399703 ] [ 3.6794503 1.1599614 -0.9361342 ] [ 2.6545769 -1.1502794 1.7712001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.790421138338933e-09 -7.732208513461153e-10 -5.541034916792793e-10 ] [ -1.26045681282036e-08 5.050364321231242e-09 1.654209549607749e-09 ] [ 1.393067417612653e-09 -7.982413386754358e-09 -6.115953566694183e-10 ] [ -1.727150562881614e-09 3.689757642826645e-09 -1.826433763066362e-09 ] [ 5.895129248055546e-09 1.858463036110437e-09 -1.499852329171311e-09 ] [ 4.25310104729574e-09 -1.842950762067851e-09 2.837775390978622e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.384643 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.586415167955438e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8593444 0.8124215 2.7598335 ] [ 0.8929912 2.5800029 1.1884886 ] [ 2.1563752 0.5177544 0.6759554 ] [ 3.0722775 0.063877 2.8577845 ] [ 3.1227906 2.7177173 0.4985581 ] [ 2.7121512 2.4462256 2.8571483 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.593444e-11 8.124215000000001e-11 2.7598335e-10 ] [ 8.929912e-11 2.5800029e-10 1.1884886e-10 ] [ 2.1563752e-10 5.177544e-11 6.759554e-11 ] [ 3.0722775e-10 6.3877e-12 2.8577845e-10 ] [ 3.1227906e-10 2.7177173e-10 4.985581e-11 ] [ 2.7121512e-10 2.4462256e-10 2.8571483e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 -2.4e-06 1.21e-05 ] [ -1.14e-05 -1.06e-05 -8.4e-06 ] [ -1e-05 -2.4e-06 -3.02e-05 ] [ -2.3e-06 3.2e-06 1.64e-05 ] [ 9.8e-06 9.9e-06 5.7e-06 ] [ 1.66e-05 2.3e-06 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-15 -3.84522388992e-15 1.938633711168e-14 ] [ -1.826481347712e-14 -1.698307218048e-14 -1.345828361472e-14 ] [ -1.6021766208e-14 -3.84522388992e-15 -4.838573394816e-14 ] [ -3.68500622784e-15 5.126965186560001e-15 2.627569658112e-14 ] [ 1.570133088384e-14 1.586154854592e-14 9.13240673856e-15 ] [ 2.659613190528e-14 3.68500622784e-15 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.320379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.216989588439529e-18 } }