{ "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" [ [ 1.086446 2.17872 1.239282 ] [ 2.929314 1.55844 2.269162 ] [ 0.8330856 2.151385 3.328528 ] [ 0.5041522 4.058533 2.531522 ] [ 2.750614 3.605463 1.493085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086446e-10 2.17872e-10 1.239282e-10 ] [ 2.929314e-10 1.55844e-10 2.269162e-10 ] [ 8.330856e-11 2.151385e-10 3.328528e-10 ] [ 5.041522000000001e-11 4.058533e-10 2.531522e-10 ] [ 2.750614e-10 3.605463e-10 1.493085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6442458 -9.9004369 -12.9773836 ] [ 11.5325045 -9.5747202 2.8863675 ] [ -6.7239165 -2.0965543 8.7408464 ] [ -5.4231879 10.7574064 5.5350506 ] [ 8.2588458 10.814305 -4.1848809 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.224743190440859e-08 -1.586224853688563e-08 -2.079206060307334e-08 ] [ 1.847710908917079e-08 -1.53403928551415e-08 4.624470527536944e-09 ] [ -1.077290181651136e-08 -3.35905028369771e-09 1.400437974808385e-08 ] [ -8.688904863585448e-09 1.72352650345243e-08 8.868128666265014e-09 ] [ 1.323212965555227e-08 1.732642664120054e-08 -6.704918338812462e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.29408656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.711786109234965e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.6680673 1.9108221 0.5377782 ] [ 3.2838449 1.7861005 2.9457752 ] [ 0.700675 1.854363 3.1274076 ] [ 0.9102561 4.4345964 3.0333944 ] [ 2.5407685 3.566659 1.2172236 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.680673e-11 1.9108221e-10 5.377782e-11 ] [ 3.2838449e-10 1.7861005e-10 2.9457752e-10 ] [ 7.00675e-11 1.854363e-10 3.1274076e-10 ] [ 9.102561000000001e-11 4.4345964e-10 3.0333944e-10 ] [ 2.5407685e-10 3.566659e-10 1.2172236e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.42e-05 -2.5e-06 -1.08e-05 ] [ 2.06e-05 -1.37e-05 -1.9e-05 ] [ -1.93e-05 -9.3e-06 2.12e-05 ] [ -2.28e-05 3.6e-05 1.18e-05 ] [ 7.2e-06 -1.04e-05 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.275090801536e-14 -4.005441552e-15 -1.730350750464e-14 ] [ 3.300483838848e-14 -2.194981970496e-14 -3.04413557952e-14 ] [ -3.092200878144e-14 -1.490024257344e-14 3.396614436096001e-14 ] [ -3.652962695424e-14 5.76783583488e-14 1.890568412544e-14 ] [ 1.153567166976e-14 -1.666263685632e-14 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658081798169e-18 } }