{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 231.5342863 -567.4991398 151.1982807 ] [ -168.574053 475.9191694 -47.8692203 ] [ -151.8116104 -5.5934674 -47.176581 ] [ -84.9779038 26.896073 -96.3487195 ] [ -10.2247301 15.2356894 19.1769217 ] [ 184.054011 55.0416754 21.0193184 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.709588204234737e-07 -9.092338541116707e-07 2.422463504426958e-07 ] [ -2.700854065901001e-07 7.625065666032348e-07 -7.669494562058478e-08 ] [ -2.432290129488782e-07 -8.961722697486961e-09 -7.558521512747748e-08 ] [ -1.361496107529515e-07 4.309225935193013e-08 -1.543676658269171e-07 ] [ -1.638182352021005e-08 2.441026535845038e-08 3.072481560665219e-08 ] [ 2.94887033388666e-07 8.81864854955425e-08 3.367666052563126e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 158.53767 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.540053483901055e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9153359 -0.2349546 0.9046513 ] [ -0.2200793 2.5111338 0.0547155 ] [ -0.1468474 2.0007297 2.8938557 ] [ 2.8492673 -0.2299672 3.0053489 ] [ 2.6494087 2.3599327 0.3189108 ] [ 2.5714185 2.5912588 3.0973093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.153359e-11 -2.349546e-11 9.046513e-11 ] [ -2.200793e-11 2.5111338e-10 5.47155e-12 ] [ -1.468474e-11 2.0007297e-10 2.8938557e-10 ] [ 2.8492673e-10 -2.299672e-11 3.0053489e-10 ] [ 2.6494087e-10 2.3599327e-10 3.189108e-11 ] [ 2.5714185e-10 2.5912588e-10 3.0973093e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 4.1e-06 -3.02e-05 ] [ 4.16e-05 2.34e-05 -3.1e-06 ] [ 4.8e-05 -3.47e-05 8.9e-06 ] [ -1.36e-05 4.01e-05 2.45e-05 ] [ -6.02e-05 -3.3e-05 -1.6e-05 ] [ -1.23e-05 -0.0 1.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-15 6.568924145279999e-15 -4.838573394816e-14 ] [ 6.665054742528e-14 3.749093292672001e-14 -4.96674752448e-15 ] [ 7.69044777984e-14 -5.559552874176001e-14 1.425937192512e-14 ] [ -2.178960204288e-14 6.424728249408e-14 3.92533272096e-14 ] [ -9.645103257216e-14 -5.28718284864e-14 -2.56348259328e-14 ] [ -1.970677243584e-14 0.0 2.531439060864e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.337879 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.457399114645928e-18 } }