{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.301375 1.527111 2.019819 ] [ 1.794175 5.106546 1.47688 ] [ 0.9503771 3.237781 1.232452 ] [ 3.392468 3.669062 0.7528338 ] [ 3.101246 3.595776 2.776891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301375e-10 1.527111e-10 2.019819e-10 ] [ 1.794175e-10 5.106546e-10 1.47688e-10 ] [ 9.503771e-11 3.237781e-10 1.232452e-10 ] [ 3.392468e-10 3.669062e-10 7.528338e-11 ] [ 3.101246e-10 3.595776e-10 2.776891e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3284908 -1.3842936 0.4005352 ] [ -0.5185851 8.0719068 0.5858736 ] [ -3.569816 -5.1526961 -1.1037588 ] [ 3.8330045 -0.6336 -8.9618415 ] [ 0.5838874 -0.9013172 9.0791915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.263002842439672e-10 -2.217882860515742e-09 6.417281385345167e-10 ] [ -8.308649299605533e-10 1.293262046678571e-08 9.386729923974623e-10 ] [ -5.719475782879343e-09 -8.255529293522926e-09 -1.768416558931879e-09 ] [ 6.141150247916852e-09 -1.0151391153024e-09 -1.435845304891151e-08 ] [ 9.354907491670114e-10 -1.444069357662305e-09 1.454646847691141e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2552374 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.162417183640291e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.847816 1.6970104 2.4884381 ] [ 1.5834436 4.9421912 0.6098821 ] [ 0.3912219 3.0788781 1.3197014 ] [ 3.7768875 4.7119063 1.3399133 ] [ 3.9402721 2.70629 2.5009409 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.847816e-10 1.6970104e-10 2.4884381e-10 ] [ 1.5834436e-10 4.9421912e-10 6.098821e-11 ] [ 3.912219e-11 3.0788781e-10 1.3197014e-10 ] [ 3.7768875e-10 4.7119063e-10 1.3399133e-10 ] [ 3.9402721e-10 2.70629e-10 2.5009409e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 1.16e-05 1.5e-06 ] [ 5.3e-06 -1.16e-05 -2.8e-06 ] [ -2.2e-05 9e-07 -3.6e-06 ] [ 1.9e-06 4e-07 1.47e-05 ] [ 7.4e-06 -1.2e-06 -9.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16958894282e-14 1.85852489544e-14 2.403264951e-15 ] [ 8.4915361602e-15 -1.85852489544e-14 -4.486094575199999e-15 ] [ -3.5247885948e-14 1.4419589706e-15 -5.767835882399999e-15 ] [ 3.0441356046e-15 6.408706536e-16 2.35519965198e-14 ] [ 1.18561070916e-14 -1.9226119608e-15 -1.57013310132e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435336 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992360477513902e-18 } }