{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11041.1113101 8412.9219834 -24651.7047833 ] [ 11046.9469657 -8608.3410464 24591.0286386 ] [ 318.4306362 -466.7082205 1001.8075368 ] [ -315.0308632 661.9585022 -947.8961017 ] [ -30.5848592 -38.7208482 -23.8832738 ] [ 21.3494305 38.8896294 30.6479833 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.768981040869268e-05 1.347898691441785e-05 -3.949638506666679e-05 ] [ 1.769916015966204e-05 -1.379208276841509e-05 3.939917116618818e-05 ] [ 5.101821206661101e-07 -7.477489996202712e-07 1.605072614002196e-06 ] [ -5.047350838494831e-07 1.060574436164625e-06 -1.518696973091199e-06 ] [ -4.900234636069979e-08 -6.203763772358577e-08 -3.826522291052518e-08 ] [ 3.420555841449445e-08 6.230805501625633e-08 4.910348231792883e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2989.9098 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.790363579860804e-16 } "relaxed-configuration-positions" { "source-value" [ [ -0.3620905 0.8545688 1.1904941 ] [ 1.1334044 -0.3581191 2.293716 ] [ 0.9516164 1.8049711 2.7008141 ] [ 0.4835424 2.8661007 0.812674 ] [ 1.7992789 1.0839301 0.7591714 ] [ 2.5279043 2.9590294 1.6706736 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.620905e-11 8.545688e-11 1.1904941e-10 ] [ 1.1334044e-10 -3.581191e-11 2.293716e-10 ] [ 9.516164e-11 1.8049711e-10 2.7008141e-10 ] [ 4.835424e-11 2.8661007e-10 8.12674e-11 ] [ 1.7992789e-10 1.0839301e-10 7.591714000000001e-11 ] [ 2.5279043e-10 2.9590294e-10 1.6706736e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.43e-05 -1.46e-05 -1.77e-05 ] [ -1.8e-05 8.18e-05 5.25e-05 ] [ -2.1e-06 -0.0001049 -6.51e-05 ] [ 1.7e-06 1.1e-06 3.05e-05 ] [ -4.37e-05 5.55e-05 1.96e-05 ] [ 1.77e-05 -1.9e-05 -1.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.097642430144e-14 -2.339177866368e-14 -2.835852618816e-14 ] [ -2.88391791744e-14 1.3105804758144e-13 8.4114272592e-14 ] [ -3.36457090368e-15 -1.6806832752192e-13 -1.0430169801408e-13 ] [ 2.72370025536e-15 1.76239428288e-15 4.88663869344e-14 ] [ -7.001511832895999e-14 8.892080245440001e-14 3.140266176767999e-14 ] [ 2.835852618816e-14 -3.04413557952e-14 -3.188331475392e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }