{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.6896901 -35.5104671 26.0831917 ] [ 13.0822123 39.9227212 -43.6578549 ] [ -63.9780168 13.2289957 19.7703587 ] [ 90.6930751 7.4090396 73.6797612 ] [ -21.1075804 -25.0502894 -75.8754566 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.994418452821722e-08 -5.689404018130758e-08 4.178987993758461e-08 ] [ 2.09600146954022e-08 6.396325054535652e-08 -6.994759443505872e-08 ] [ -1.025040827621096e-07 2.119518762720373e-08 3.167560649396988e-08 ] [ 1.453063245936786e-07 1.187059002970138e-08 1.18047990820767e-07 ] [ -3.381807183853631e-08 -4.013498802095406e-08 -1.215658826570451e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 60.304714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.661880289483045e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0689522 -0.3904089 2.5277168 ] [ 1.0965017 2.739653 0.1006119 ] [ -0.4749475 1.9417106 1.8556415 ] [ 3.9119662 1.2109473 2.7704912 ] [ 1.9729383 0.9161017 1.5693355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.895220000000001e-12 -3.904089e-11 2.5277168e-10 ] [ 1.0965017e-10 2.739653e-10 1.006119e-11 ] [ -4.749475e-11 1.9417106e-10 1.8556415e-10 ] [ 3.9119662e-10 1.2109473e-10 2.7704912e-10 ] [ 1.9729383e-10 9.161017e-11 1.5693355e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -1.8e-06 -2.3e-06 ] [ 2e-06 -4.9e-06 5e-07 ] [ -1.4e-06 3.4e-06 2.2e-06 ] [ -4.6e-06 -9e-07 -2.6e-06 ] [ 1.8e-06 4.2e-06 2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 -2.88391791744e-15 -3.68500622784e-15 ] [ 3.2043532416e-15 -7.850665441919999e-15 8.010883104e-16 ] [ -2.24304726912e-15 5.44740051072e-15 3.52478856576e-15 ] [ -7.370012455680001e-15 -1.44195895872e-15 -4.16565921408e-15 ] [ 2.88391791744e-15 6.72914180736e-15 3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.201399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.63444429772525e-18 } }