{ "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" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0188006 -10.2770956 -5.1416183 ] [ 0.2696234 -0.0149866 2.118982 ] [ -3.971564 10.9362086 -2.8421058 ] [ 4.730497 -0.9035577 -1.4457745 ] [ 3.9902442 0.2594314 7.3105166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.041004985777012e-09 -1.646572230004655e-08 -8.237780633337442e-09 ] [ 4.319843079006067e-10 -2.401118014528128e-11 3.394983420296025e-09 ] [ -6.363146988810931e-09 1.75217377391119e-08 -4.55355546660008e-09 ] [ 7.579091698164537e-09 -1.44765902248382e-09 -2.31638610284881e-09 ] [ 6.393075968522799e-09 4.156549237814131e-10 1.17127387824903e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.2690347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.033217727323942e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6419394 1.0798313 1.1245263 ] [ 1.1939611 3.4802118 4.1271824 ] [ 1.8196058 4.3375959 2.1910295 ] [ 4.2464733 1.9495859 0.7348061 ] [ 3.2977241 2.8129251 4.1919337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6419394e-10 1.0798313e-10 1.1245263e-10 ] [ 1.1939611e-10 3.4802118e-10 4.1271824e-10 ] [ 1.8196058e-10 4.3375959e-10 2.1910295e-10 ] [ 4.2464733e-10 1.9495859e-10 7.348061e-11 ] [ 3.2977241e-10 2.8129251e-10 4.1919337e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.25e-05 -2.3e-05 1.03e-05 ] [ -3.3e-06 -4.31e-05 8.17e-05 ] [ 2.41e-05 3.8e-05 -8.38e-05 ] [ 4.25e-05 2.3e-05 -1.03e-05 ] [ -2.08e-05 5.1e-06 2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.8092506384e-14 -3.68500622784e-14 1.650241919424e-14 ] [ -5.28718284864e-15 -6.905381235648e-14 1.3089782991936e-13 ] [ 3.861245656128e-14 6.08827115904e-14 -1.3426240082304e-13 ] [ 6.8092506384e-14 3.68500622784e-14 -1.650241919424e-14 ] [ -3.332527371264e-14 8.17110076608e-15 3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.135307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065814150723059e-18 } }