{ "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" [ [ 0.0795215 1.172985 2.972487 ] [ 0.7048054 0.2310616 1.565444 ] [ 0.5328429 2.146868 1.561816 ] [ 2.937455 0.8293126 0.8336996 ] [ 1.506301 0.8690976 0.2004578 ] [ 2.979161 2.931887 0.4386378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.95215e-12 1.172985e-10 2.972487e-10 ] [ 7.048054e-11 2.310616e-11 1.565444e-10 ] [ 5.328429e-11 2.146868e-10 1.561816e-10 ] [ 2.937455e-10 8.293126e-11 8.336996000000001e-11 ] [ 1.506301e-10 8.690976e-11 2.004578e-11 ] [ 2.979161e-10 2.931887e-10 4.386378e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.9225708 -4.2428898 55.3730706 ] [ -10.0758454 -57.6596744 10.6576254 ] [ -2.4011487 55.0407646 -18.3206964 ] [ 58.6286906 -4.9943359 24.1532113 ] [ -31.368791 1.1322906 -70.9901477 ] [ 6.1396653 10.7238448 -0.8730632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.352165405897068e-08 -6.797858898196933e-09 8.871743986815234e-08 ] [ -1.614328406767638e-08 -9.238098304772795e-08 1.70753983898049e-08 ] [ -3.847064341899475e-09 8.818502695961435e-08 -2.935299169068792e-08 ] [ 9.393351816133544e-08 -8.00180828132736e-09 3.869771078092476e-08 ] [ -5.025834397702949e-08 1.81412954221784e-09 -1.137387558891488e-07 ] [ 9.836828284240599e-09 1.71814935652024e-08 -1.398801459045269e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 51.120315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.19037742157197e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6072676 1.4130526 3.151582 ] [ 0.8596719 -0.4501449 1.5694446 ] [ 0.1686052 2.7840572 1.1526742 ] [ 3.1808653 0.4490262 1.2637932 ] [ 1.2593412 1.0895404 -0.4249164 ] [ 2.6643357 2.8956804 0.8599646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.072676000000001e-11 1.4130526e-10 3.151582e-10 ] [ 8.596719000000001e-11 -4.501449e-11 1.5694446e-10 ] [ 1.686052e-11 2.7840572e-10 1.1526742e-10 ] [ 3.1808653e-10 4.490262e-11 1.2637932e-10 ] [ 1.2593412e-10 1.0895404e-10 -4.249164e-11 ] [ 2.6643357e-10 2.8956804e-10 8.599646e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-05 2.14e-05 9.6e-06 ] [ -1.08e-05 -2.16e-05 1.6e-05 ] [ 1.59e-05 -2.03e-05 -1.52e-05 ] [ 2.81e-05 -1.5e-05 -1.83e-05 ] [ -4e-06 3.17e-05 -1.2e-06 ] [ -1.53e-05 3.8e-06 9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.243047287599999e-14 3.42865799676e-14 1.53808956864e-14 ] [ -1.73035076472e-14 -3.46070152944e-14 2.5634826144e-14 ] [ 2.54746084806e-14 -3.252418567019999e-14 -2.43530848368e-14 ] [ 4.50211634154e-14 -2.403264951e-14 -2.93198324022e-14 ] [ -6.408706535999999e-15 5.078899929779999e-14 -1.9226119608e-15 ] [ -2.45133025002e-14 6.088271209199999e-15 1.45798073694e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.642267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.506167469018928e-18 } }