{ "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" [ [ 3.046952 0.8888341 2.154791 ] [ 1.482397 2.148474 3.156267 ] [ 1.59563 3.780951 1.691413 ] [ 3.247494 1.676883 4.588179 ] [ 3.703607 3.217806 2.519536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.046952e-10 8.888341e-11 2.154791e-10 ] [ 1.482397e-10 2.148474e-10 3.156267e-10 ] [ 1.59563e-10 3.780951e-10 1.691413e-10 ] [ 3.247494e-10 1.676883e-10 4.588179e-10 ] [ 3.703607e-10 3.217806e-10 2.519536e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8596786 -1.8467717 -0.9824692 ] [ -3.6698693 -0.6557874 2.5331985 ] [ -0.5541359 2.5784844 -2.4643071 ] [ 1.3582762 0.1004926 -0.0889538 ] [ 1.0060504 -0.1764179 1.0025317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.979533599669832e-09 -2.958854466072457e-09 -1.574089195864673e-09 ] [ -5.879778842293935e-09 -1.050687249151611e-09 4.058631445983849e-09 ] [ -8.878235910405604e-10 4.131187456813509e-09 -3.948255254620301e-09 ] [ 2.17619839015831e-09 1.610068956099084e-10 -1.425196998655092e-10 ] [ 1.611870443506353e-09 -2.826526371993486e-10 1.606232864584298e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.597366 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.018320545514604e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.256356 0.6299348 2.3524954 ] [ 1.3457912 2.0608587 2.9994114 ] [ 1.5592889 4.1397552 1.8563344 ] [ 3.2952412 1.8066457 4.4998514 ] [ 3.6194028 3.0757536 2.4020934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.256356e-10 6.299348e-11 2.3524954e-10 ] [ 1.3457912e-10 2.0608587e-10 2.9994114e-10 ] [ 1.5592889e-10 4.1397552e-10 1.8563344e-10 ] [ 3.2952412e-10 1.8066457e-10 4.4998514e-10 ] [ 3.6194028e-10 3.0757536e-10 2.4020934e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -1.65e-05 -5.4e-06 ] [ -3.2e-06 -1.09e-05 7e-07 ] [ 1.2e-06 1.06e-05 -1e-07 ] [ 9e-07 9.1e-06 3.7e-06 ] [ 2.2e-06 7.7e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7623942974e-15 -2.6435914461e-14 -8.6517538236e-15 ] [ -5.1269652288e-15 -1.74637253106e-14 1.1215236438e-15 ] [ 1.9226119608e-15 1.69830723204e-14 -1.602176634e-16 ] [ 1.4419589706e-15 1.45798073694e-14 5.9280535458e-15 ] [ 3.5247885948e-15 1.23367600818e-14 1.7623942974e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.106836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260164301887002e-18 } }