{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4314167 -0.5376823 -0.8381916 ] [ 0.0642222 -1.0915666 1.9478833 ] [ -1.9274441 0.1808035 -1.2678832 ] [ -0.4416513 0.2030721 -2.6743509 ] [ 0.6605713 -0.1129843 1.536488 ] [ 0.8319441 0.0267257 -0.6782726 ] [ 1.2437744 1.3316319 1.9743271 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.912057505626874e-10 -8.614620104779718e-10 -1.342930985270945e-09 ] [ 1.028953073763418e-10 -1.748882486566145e-09 3.120853083306753e-09 ] [ -3.088105874918897e-09 2.896791406588128e-10 -2.031372820945091e-09 ] [ -7.076033874059271e-10 3.253573709567597e-10 -4.284782487795438e-09 ] [ 1.058351893231463e-09 -1.810208039774534e-10 2.461725151739751e-09 ] [ 1.332921386832497e-09 4.281929171451457e-11 -1.08671250224923e-09 ] [ 1.992746265229548e-09 2.133509497691484e-09 3.163220721431864e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.285568 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.769453292684862e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9858159 1.6052219 2.5849721 ] [ 2.736964 1.7139241 4.8044323 ] [ 1.5388496 3.9028713 2.7369171 ] [ 4.17279 2.0609122 1.800068 ] [ 4.9627617 2.1777256 4.0055989 ] [ 3.7646573 4.3666484 1.938109 ] [ 3.4116615 4.1726383 4.4769096 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9858159e-10 1.6052219e-10 2.5849721e-10 ] [ 2.736964e-10 1.7139241e-10 4.804432300000001e-10 ] [ 1.5388496e-10 3.9028713e-10 2.7369171e-10 ] [ 4.17279e-10 2.0609122e-10 1.800068e-10 ] [ 4.9627617e-10 2.1777256e-10 4.0055989e-10 ] [ 3.7646573e-10 4.3666484e-10 1.938109e-10 ] [ 3.4116615e-10 4.1726383e-10 4.4769096e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 1.45e-05 -1.24e-05 ] [ 1.11e-05 2.9e-05 -1.39e-05 ] [ 1.82e-05 -1.88e-05 2.93e-05 ] [ 6.5e-06 -5.6e-06 3.15e-05 ] [ -9.6e-06 -6.5e-06 -1.16e-05 ] [ -5.8e-06 6.3e-06 9.7e-06 ] [ -1.62e-05 -1.9e-05 -3.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 2.32315610016e-14 -1.986699009792e-14 ] [ 1.778416049088e-14 4.64631220032e-14 -2.227025502912e-14 ] [ 2.915961449856e-14 -3.012092047104e-14 4.694377498944e-14 ] [ 1.04141480352e-14 -8.972189076479999e-15 5.04685635552e-14 ] [ -1.538089555968e-14 -1.04141480352e-14 -1.858524880128e-14 ] [ -9.292624400640001e-15 1.009371271104e-14 1.554111322176e-14 ] [ -2.595526125696e-14 -3.04413557952e-14 -5.207074017599999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }