{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7163539 -0.2428287 -3.2827543 ] [ -1.0969254 -2.7711324 3.2790799 ] [ 2.2645056 -2.9492195 -0.4629398 ] [ -0.0692066 2.1592321 3.7171692 ] [ 0.7458932 0.2245341 -0.3083736 ] [ 0.8720871 3.5794146 -2.9421814 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.352078748254772e-09 -3.890544692045958e-10 -5.259552234623026e-09 ] [ -1.757468245121103e-09 -4.439843581000341e-09 5.253665196799057e-09 ] [ 3.62813795988215e-09 -4.725170571437162e-09 -7.417113305086331e-10 ] [ -1.108811974385844e-10 3.459471218002751e-09 5.955561636864472e-09 ] [ 1.195052656499489e-09 3.597432885562193e-10 -4.940689764624624e-10 ] [ 1.397237574432821e-09 5.734854435518455e-09 -4.713894292069407e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -10.287018 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.648161987313741e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5771877 1.1007184 1.0327177 ] [ 1.9803712 0.1469556 3.0636077 ] [ 2.7363391 1.5551352 4.7476325 ] [ 3.796756 3.3733485 3.7636474 ] [ 4.5546666 4.5236197 -0.1182713 ] [ 3.6979664 3.0912274 1.4573575 ] [ 4.768045 5.1340528 4.8703595 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5771877e-10 1.1007184e-10 1.0327177e-10 ] [ 1.9803712e-10 1.469556e-11 3.0636077e-10 ] [ 2.7363391e-10 1.5551352e-10 4.7476325e-10 ] [ 3.796756e-10 3.3733485e-10 3.7636474e-10 ] [ 4.5546666e-10 4.5236197e-10 -1.182713e-11 ] [ 3.6979664e-10 3.0912274e-10 1.4573575e-10 ] [ 4.768045e-10 5.134052800000001e-10 4.870359500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.44e-05 -3.7e-06 -9.6e-06 ] [ 2.85e-05 -1.34e-05 5.3e-05 ] [ -2.72e-05 1.8e-06 -4.37e-05 ] [ 1.2e-05 1.98e-05 -1.13e-05 ] [ 8.3e-06 1.13e-05 1e-05 ] [ 3.5e-06 1e-07 -7.4e-06 ] [ -7e-07 -1.59e-05 9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.909310986959999e-14 -5.9280535458e-15 -1.53808956864e-14 ] [ 4.5662034069e-14 -2.14691668956e-14 8.491536160199999e-14 ] [ -4.35792044448e-14 2.8839179412e-15 -7.001511890579999e-14 ] [ 1.9226119608e-14 3.17230973532e-14 -1.81045959642e-14 ] [ 1.32980660622e-14 1.81045959642e-14 1.602176634e-14 ] [ 5.607618218999999e-15 1.602176634e-16 -1.18561070916e-14 ] [ -1.1215236438e-15 -2.54746084806e-14 1.4419589706e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.765401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.846331037584023e-18 } }