{ "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" [ [ -1.9563319 -2.237259 -2.183305 ] [ -0.5612421 0.795325 -1.6767111 ] [ -3.753063 -1.2723246 1.2304138 ] [ -0.8509787 -0.2589085 0.1698247 ] [ 0.2607398 2.1133261 2.1128279 ] [ 2.3324896 1.2777984 -3.5624516 ] [ 4.5283863 -0.4179574 3.9094013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.134389258528824e-09 -3.584484094006206e-09 -3.49804025589537e-09 ] [ -8.992089786370913e-10 1.27425113143605e-09 -2.686387346388437e-09 ] [ -6.013069844529941e-09 -2.038488744983396e-09 1.971340240511149e-09 ] [ -1.363418189171696e-09 -4.148171490439889e-10 2.720891662160598e-10 ] [ 4.177512151138332e-10 3.385921697442347e-09 3.385123493043288e-09 ] [ 3.737060336168007e-09 2.047258739442585e-09 -5.707676713275914e-09 ] [ 7.255274719585714e-09 -6.696415802873915e-10 6.263551415789223e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.963658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.358748301076717e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.876815 2.017095 1.8634381 ] [ 2.779556 1.8837122 4.259301 ] [ 1.4301425 3.8749174 3.3721158 ] [ 4.1863391 1.3201825 2.1913761 ] [ 5.1670264 2.747281 3.902741 ] [ 3.6700153 3.8305573 2.1255582 ] [ 3.4636056 4.3261964 4.6324768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.876815e-10 2.017095e-10 1.8634381e-10 ] [ 2.779556e-10 1.8837122e-10 4.259301e-10 ] [ 1.4301425e-10 3.8749174e-10 3.3721158e-10 ] [ 4.1863391e-10 1.3201825e-10 2.1913761e-10 ] [ 5.167026400000001e-10 2.747281e-10 3.902741e-10 ] [ 3.6700153e-10 3.8305573e-10 2.1255582e-10 ] [ 3.4636056e-10 4.3261964e-10 4.6324768e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 8.2e-06 -3.48e-05 ] [ 8.7e-06 1.17e-05 1.34e-05 ] [ 2e-07 3.8e-06 1.31e-05 ] [ -9.1e-06 -7.7e-06 3.8e-06 ] [ 2.44e-05 4.8e-06 6.8e-06 ] [ -1.44e-05 -1.6e-05 -8.3e-06 ] [ -1.17e-05 -4.8e-06 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.8839179412e-15 1.31378483988e-14 -5.575574686319999e-14 ] [ 1.39389367158e-14 1.87454666178e-14 2.14691668956e-14 ] [ 3.204353268e-16 6.088271209199999e-15 2.09885139054e-14 ] [ -1.45798073694e-14 -1.23367600818e-14 6.088271209199999e-15 ] [ 3.909310986959999e-14 7.690447843199998e-15 1.08948011112e-14 ] [ -2.30713435296e-14 -2.5634826144e-14 -1.32980660622e-14 ] [ -1.87454666178e-14 -7.690447843199998e-15 9.452842140600001e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }