{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4242464 -2.2531008 0.5917545 ] [ -5.3006598 2.9373533 3.0013224 ] [ 2.1479079 -3.2577575 -2.0839783 ] [ 2.8437861 -1.8376871 7.3327348 ] [ 4.7332122 4.411192 -8.8418334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.088424146738567e-09 -3.609865426065777e-09 9.480952251531934e-10 ] [ -8.492593206374404e-09 4.706158784289728e-09 4.808648580763346e-09 ] [ 3.441327821011624e-09 -5.219502902735856e-09 -3.338901310514529e-09 ] [ 4.556247603976011e-09 -2.944299307965752e-09 1.174833626308656e-08 ] [ 7.583441928125333e-09 7.067508692259994e-09 -1.416617875848858e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5739198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.053258061057421e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3566383 1.4127369 3.0880974 ] [ 1.5321562 3.9360562 3.140702 ] [ 3.5090896 1.2906126 1.7641823 ] [ 3.5414813 2.5075273 4.1219267 ] [ 3.6846006 3.813933 1.8167737 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3566383e-10 1.4127369e-10 3.0880974e-10 ] [ 1.5321562e-10 3.9360562e-10 3.140702e-10 ] [ 3.5090896e-10 1.2906126e-10 1.7641823e-10 ] [ 3.5414813e-10 2.5075273e-10 4.121926700000001e-10 ] [ 3.6846006e-10 3.813933e-10 1.8167737e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-06 1e-06 5.4e-06 ] [ -1e-06 1.3e-06 -5e-06 ] [ -7e-07 2.7e-06 -2.5e-06 ] [ -1.9e-06 -3e-07 -7.1e-06 ] [ -5e-07 -4.8e-06 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924145279999e-15 1.6021766208e-15 8.65175375232e-15 ] [ -1.6021766208e-15 2.08282960704e-15 -8.010883104e-15 ] [ -1.12152363456e-15 4.32587687616e-15 -4.005441552e-15 ] [ -3.04413557952e-15 -4.8065298624e-16 -1.137545400768e-14 ] [ -8.010883104e-16 -7.69044777984e-15 1.490024257344e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.344147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657315048551846e-18 } }