{ "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" [ [ -1.2797722 -1.4633456 -2.2057693 ] [ -0.2724194 -4.3064134 7.4006664 ] [ -6.1441998 2.7752306 -3.7204523 ] [ 0.6985474 0.5011413 -6.2685631 ] [ 2.3968572 -0.7085042 3.1553469 ] [ 1.5024501 0.6013995 -1.3610252 ] [ 3.0985366 2.6004918 2.9997966 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.050421115682774e-09 -2.34453812778671e-09 -3.534032032454536e-09 ] [ -4.364639973282995e-10 -6.899634925824495e-09 1.18571747821089e-08 ] [ -9.844093354187472e-09 4.4464096212818e-09 -5.960821742971558e-09 ] [ 1.119196322021452e-09 8.029168811923841e-10 -1.004334532757461e-08 ] [ 3.840188600874665e-09 -1.135148874330863e-09 5.055423075344335e-09 ] [ 2.407190443970963e-09 9.635482265992829e-10 -2.180602773725177e-09 ] [ 4.964402940113805e-09 4.166447198868601e-09 4.806204019272644e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.288375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.449467719682975e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0317973 1.7412762 2.7120205 ] [ 3.1724013 2.011157 4.8709358 ] [ 1.2494967 4.0356324 2.4836788 ] [ 4.3061819 2.0975631 1.8547418 ] [ 5.2505883 1.3353192 3.9103316 ] [ 3.7283948 4.423561 2.0688185 ] [ 2.8346398 4.355433 4.4464798 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0317973e-10 1.7412762e-10 2.7120205e-10 ] [ 3.1724013e-10 2.011157e-10 4.8709358e-10 ] [ 1.2494967e-10 4.0356324e-10 2.4836788e-10 ] [ 4.306181900000001e-10 2.0975631e-10 1.8547418e-10 ] [ 5.250588300000001e-10 1.3353192e-10 3.9103316e-10 ] [ 3.7283948e-10 4.423561000000001e-10 2.0688185e-10 ] [ 2.8346398e-10 4.355433e-10 4.4464798e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.95e-05 3e-06 2.36e-05 ] [ 2.27e-05 -1.33e-05 2.4e-06 ] [ -3.64e-05 3.15e-05 -1.02e-05 ] [ 3.8e-05 6.86e-05 -1.81e-05 ] [ 4e-06 -2.67e-05 1.09e-05 ] [ 1.13e-05 -7.53e-05 -1.17e-05 ] [ -2.02e-05 1.24e-05 3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.1242444363e-14 4.806529901999999e-15 3.78113685624e-14 ] [ 3.636940959179999e-14 -2.13089492322e-14 3.845223921599999e-15 ] [ -5.831922947759999e-14 5.046856397099999e-14 -1.63422016668e-14 ] [ 6.088271209199999e-14 1.099093170924e-13 -2.899939707539999e-14 ] [ 6.408706535999999e-15 -4.277811612779999e-14 1.74637253106e-14 ] [ 1.81045959642e-14 -1.206439005402e-13 -1.87454666178e-14 ] [ -3.236396800679999e-14 1.98669902616e-14 4.9667475654e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.082717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.897170665663458e-18 } }