{ "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" [ [ 2.924097 1.394529 2.047948 ] [ 0.8517503 3.0229 2.150903 ] [ 3.084941 2.892354 0.5199401 ] [ 2.119748 2.11188 4.047438 ] [ 4.365389 1.647318 4.564937 ] [ 3.247696 3.944508 2.731386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.924097e-10 1.394529e-10 2.047948e-10 ] [ 8.517503e-11 3.0229e-10 2.150903e-10 ] [ 3.084941000000001e-10 2.892354e-10 5.199401e-11 ] [ 2.119748e-10 2.11188e-10 4.047438e-10 ] [ 4.365389e-10 1.647318e-10 4.564937e-10 ] [ 3.247696e-10 3.944508e-10 2.731386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6142738 -6.3270445 -0.6488191 ] [ -2.1709474 0.9729544 -0.8559208 ] [ 0.4590252 2.2964098 -3.4098628 ] [ -1.5495753 -0.1692265 4.3734668 ] [ 0.2119574 0.1976532 -0.3502575 ] [ 1.4352662 3.0292536 0.8913933 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.586351741929975e-09 -1.013704277666123e-08 -1.039522793148497e-09 ] [ -3.478241169266546e-09 1.558844792784492e-09 -1.371336295016433e-09 ] [ 7.354394437980442e-10 3.679254093336004e-09 -5.463202458295626e-09 ] [ -2.482693317829146e-09 -2.711307419198112e-10 7.007066258804989e-09 ] [ 3.395931908855539e-10 3.166753360663066e-10 -5.611743777598559e-10 ] [ 2.299549950264457e-09 4.853399296394235e-09 1.428169505197761e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.018815 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.085844102352035e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2819728 0.7586713 2.1612052 ] [ 1.185234 3.5245471 2.5031275 ] [ 2.8545529 2.6922353 0.7985505 ] [ 1.6125891 1.5909535 3.8657606 ] [ 4.0433107 2.256758 4.0482911 ] [ 3.6159618 4.1903239 2.6856171 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2819728e-10 7.586713e-11 2.1612052e-10 ] [ 1.185234e-10 3.5245471e-10 2.5031275e-10 ] [ 2.8545529e-10 2.6922353e-10 7.985505000000001e-11 ] [ 1.6125891e-10 1.5909535e-10 3.8657606e-10 ] [ 4.043310700000001e-10 2.256758e-10 4.048291100000001e-10 ] [ 3.6159618e-10 4.1903239e-10 2.6856171e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.53e-05 -5.45e-05 3.8e-06 ] [ -5.88e-05 1.02e-05 6.7e-06 ] [ 4.37e-05 -1.1e-06 -4.05e-05 ] [ 1.5e-06 -2.7e-05 4.02e-05 ] [ -1.05e-05 -1.34e-05 -2.08e-05 ] [ 3.94e-05 8.59e-05 1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.451330229824e-14 -8.731862583360001e-14 6.08827115904e-15 ] [ -9.420798530304e-14 1.634220153216e-14 1.073458335936e-14 ] [ 7.001511832895999e-14 -1.76239428288e-15 -6.488815314240001e-14 ] [ 2.4032649312e-15 -4.32587687616e-14 6.440750015616e-14 ] [ -1.68228545184e-14 -2.146916671872e-14 -3.332527371264e-14 ] [ 6.312575885952001e-14 1.3762697172672e-13 1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.807034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.532566031899071e-18 } }