{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3341929 -4.7458381 -2.8577982 ] [ -1.8566214 -5.5177183 8.3261662 ] [ -5.1813768 6.8881608 -6.690049 ] [ 2.4974435 0.3949046 -1.0855305 ] [ 2.4605829 -0.7520713 0.4717156 ] [ -0.636826 -1.367011 0.8055347 ] [ 3.0509907 5.0995733 1.0299612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.354360512173523e-10 -7.603670849921893e-09 -4.578697463004323e-09 ] [ -2.974635400756966e-09 -8.840359260420321e-09 1.333998882653518e-08 ] [ -8.301480772515517e-09 1.103605019407103e-08 -1.071864009980642e-08 ] [ 4.001345587468925e-09 6.327069175663757e-10 -1.739211588265334e-09 ] [ 3.942288395920264e-09 -1.204951054034663e-09 7.557717059866445e-10 ] [ -1.020307728717581e-09 -2.190193064576429e-09 1.290608863583142e-09 ] [ 4.888225969818226e-09 8.170417117315905e-09 1.650179754971113e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.209339 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.436804736362165e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7836167 1.9309433 2.0642302 ] [ 2.5839132 2.6750479 4.4428346 ] [ 2.0506709 4.2996609 2.3856187 ] [ 5.1244102 2.5778927 1.9684199 ] [ 5.0784133 2.8346612 4.3848164 ] [ 4.4033641 4.8912891 1.7805158 ] [ 3.8633677 5.0135268 4.2187204 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7836167e-10 1.9309433e-10 2.0642302e-10 ] [ 2.5839132e-10 2.6750479e-10 4.4428346e-10 ] [ 2.0506709e-10 4.2996609e-10 2.3856187e-10 ] [ 5.1244102e-10 2.5778927e-10 1.9684199e-10 ] [ 5.0784133e-10 2.8346612e-10 4.3848164e-10 ] [ 4.4033641e-10 4.8912891e-10 1.7805158e-10 ] [ 3.8633677e-10 5.013526800000001e-10 4.218720399999999e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.7e-06 -4.7e-05 -1.75e-05 ] [ -3.7e-06 -6e-06 1.95e-05 ] [ -2.53e-05 7.1e-06 5e-06 ] [ 1.71e-05 -2.08e-05 -1.6e-05 ] [ -1.9e-05 4.4e-06 1.3e-05 ] [ 2.08e-05 4.8e-05 -1.6e-05 ] [ 1.87e-05 1.43e-05 1.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.393893660096e-14 -7.530230117759999e-14 -2.8038090864e-14 ] [ -5.928053496960001e-15 -9.6130597248e-15 3.12424441056e-14 ] [ -4.053506850624e-14 1.137545400768e-14 8.010883104e-15 ] [ 2.739722021568e-14 -3.332527371264e-14 -2.56348259328e-14 ] [ -3.04413557952e-14 7.04957713152e-15 2.08282960704e-14 ] [ 3.332527371264e-14 7.69044777984e-14 -2.56348259328e-14 ] [ 2.996070280896e-14 2.291112567744e-14 1.938633711168e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }