{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1642201 -0.1397862 1.274445 ] [ 1.1080597 0.2512828 0.9581387 ] [ -0.0503184 -0.2625898 -0.0884244 ] [ 0.5308722 0.9844711 -1.6335916 ] [ -0.7193903 -0.8209901 0.1703234 ] [ -0.539711 -0.5518532 -0.9186439 ] [ -0.1652921 0.5394654 0.2377527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.631096070531434e-10 -2.239621833956508e-10 2.04188600031813e-09 ] [ 1.77530736041705e-09 4.025994306860951e-10 1.535107437271136e-09 ] [ -8.061896474026559e-11 -4.207152418867331e-10 -1.416715075554696e-10 ] [ 8.505510344801748e-10 1.577296593268277e-09 -2.617302291018674e-09 ] [ -1.15259032938625e-09 -1.315371154965323e-09 2.728881717034356e-10 ] [ -8.64712353312774e-10 -8.841663024381288e-10 -1.471829791546632e-09 ] [ -2.648271404047914e-10 8.643188587314635e-10 3.809218206104118e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.715467 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998548392179808e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7901118 1.041343 2.5707392 ] [ 2.9693056 1.2902145 1.6370926 ] [ 1.9160502 3.1018814 2.9817833 ] [ 1.7057156 0.1126382 4.5391278 ] [ 3.9090883 0.3369824 3.6574663 ] [ 2.8558328 2.1486512 5.0021542 ] [ 4.2478996 2.6358554 3.1308666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.901118e-11 1.041343e-10 2.5707392e-10 ] [ 2.9693056e-10 1.2902145e-10 1.6370926e-10 ] [ 1.9160502e-10 3.1018814e-10 2.9817833e-10 ] [ 1.7057156e-10 1.126382e-11 4.5391278e-10 ] [ 3.9090883e-10 3.369824e-11 3.6574663e-10 ] [ 2.8558328e-10 2.1486512e-10 5.0021542e-10 ] [ 4.2478996e-10 2.6358554e-10 3.1308666e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 2.7e-06 -5e-06 ] [ -1.53e-05 -1.23e-05 1.36e-05 ] [ -9.7e-06 2.9e-06 -3.6e-06 ] [ 5.5e-06 1.44e-05 -1.38e-05 ] [ 9.2e-06 -1.59e-05 -7e-07 ] [ 5.3e-06 -1.9e-06 -6e-07 ] [ 6e-07 1.02e-05 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.0495771896e-15 4.3258769118e-15 -8.010883169999999e-15 ] [ -2.45133025002e-14 -1.97067725982e-14 2.17896022224e-14 ] [ -1.55411133498e-14 4.6463122386e-15 -5.767835882399999e-15 ] [ 8.811971486999999e-15 2.30713435296e-14 -2.21100375492e-14 ] [ 1.47400250328e-14 -2.54746084806e-14 -1.1215236438e-15 ] [ 8.4915361602e-15 -3.0441356046e-15 -9.613059803999998e-16 ] [ 9.613059803999998e-16 1.63422016668e-14 1.61819840034e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }