{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9980816 -0.1898902 -1.1862402 ] [ -1.3968602 0.4082905 1.7506036 ] [ -3.6502819 -0.3391791 1.6976317 ] [ -1.8262336 -5.3805345 -1.4133494 ] [ 0.2972944 1.1405515 0.7534852 ] [ 4.8877725 3.7617803 -2.4986449 ] [ 2.6863903 0.5989816 0.896514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.599103018345334e-09 -3.042376414655868e-10 -1.900566330751487e-09 ] [ -2.238016773404567e-09 6.54153498984177e-10 2.804776183316282e-09 ] [ -5.848396367693124e-09 -5.434248287611494e-10 2.719905842877698e-09 ] [ -2.925948802145702e-09 -8.620566654330873e-09 -2.264435384357919e-09 ] [ 4.763181410990496e-10 1.827364963173651e-09 1.207216381504817e-09 ] [ 7.831074891807764e-09 6.027036498901509e-09 -4.003270475443266e-09 ] [ 4.304071768464249e-09 9.596743237159344e-10 1.436373782853876e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.688047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.15437288724938e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2193586 0.7716659 3.6546931 ] [ 1.4832619 3.0469333 4.2564435 ] [ 1.7150939 4.6476558 2.4599995 ] [ 3.1928145 2.6676136 2.3522521 ] [ 3.7876156 2.2626948 4.8371386 ] [ 4.0584402 5.0079217 2.0779079 ] [ 5.3179002 3.4214896 3.3678873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2193586e-10 7.716659e-11 3.6546931e-10 ] [ 1.4832619e-10 3.0469333e-10 4.2564435e-10 ] [ 1.7150939e-10 4.6476558e-10 2.4599995e-10 ] [ 3.1928145e-10 2.6676136e-10 2.3522521e-10 ] [ 3.7876156e-10 2.2626948e-10 4.8371386e-10 ] [ 4.0584402e-10 5.0079217e-10 2.0779079e-10 ] [ 5.317900200000001e-10 3.4214896e-10 3.3678873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 1.15e-05 -7.3e-06 ] [ 1.2e-05 1.15e-05 -1.6e-06 ] [ -5.2e-06 -1.14e-05 -1.91e-05 ] [ 1.5e-06 -1.7e-06 1.38e-05 ] [ 1.78e-05 6.3e-06 -1.08e-05 ] [ -1e-05 -3.8e-06 2.6e-05 ] [ -1.3e-05 -1.25e-05 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.9667475654e-15 1.8425031291e-14 -1.16958894282e-14 ] [ 1.9226119608e-14 1.8425031291e-14 -2.5634826144e-15 ] [ -8.331318496799998e-15 -1.82648136276e-14 -3.06015737094e-14 ] [ 2.403264951e-15 -2.7237002778e-15 2.21100375492e-14 ] [ 2.851874408519999e-14 1.00937127942e-14 -1.73035076472e-14 ] [ -1.602176634e-14 -6.088271209199999e-15 4.165659248399999e-14 ] [ -2.082829624199999e-14 -2.0027207925e-14 -1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.879137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505424207348486e-18 } }