{ "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" [ [ 1.248369 0.1750326 1.959235 ] [ 0.2041437 1.690187 0.8451771 ] [ 0.5672117 2.337944 2.235934 ] [ 2.305261 0.0188332 0.1900716 ] [ 2.629759 0.4646214 2.471997 ] [ 1.518408 2.931316 1.102854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248369e-10 1.750326e-11 1.959235e-10 ] [ 2.041437e-11 1.690187e-10 8.451771e-11 ] [ 5.672117e-11 2.337944e-10 2.235934e-10 ] [ 2.305261e-10 1.88332e-12 1.900716e-11 ] [ 2.629759e-10 4.646214e-11 2.471997e-10 ] [ 1.518408e-10 2.931316e-10 1.102854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -54.6354294 -34.0575824 -4.5726726 ] [ -29.4360278 -29.3237152 -48.9251181 ] [ -20.4263975 10.769067 73.3150327 ] [ 4.0502225 -1.9987067 -10.2969149 ] [ 58.5994165 6.282639 23.8352397 ] [ 41.8482157 48.3282985 -33.3555667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.753560765204897e-08 -5.456626228224955e-08 -7.326229134292749e-09 ] [ -4.716171555037886e-08 -4.69817709284376e-08 -7.838668038969891e-08 ] [ -3.272669652166757e-08 1.725394737522879e-08 1.174636313451275e-07 ] [ 6.489171798538129e-09 -3.202281146576319e-09 -1.649747631914717e-08 ] [ 9.388661510882177e-08 1.006589732272629e-08 3.818826379850401e-08 ] [ 6.70482328167355e-08 7.743046997974371e-08 -5.3441509140275e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 38.531481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.173423802299941e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0700593 0.2633039 2.4641452 ] [ 0.703987 1.6515915 0.2528164 ] [ 0.3460003 2.6370725 2.6940422 ] [ 2.4804363 -0.0965476 0.2414716 ] [ 3.2537649 -0.9413645 2.4539454 ] [ 0.6189046 4.1038784 0.6988479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0700593e-10 2.633039e-11 2.4641452e-10 ] [ 7.039870000000001e-11 1.6515915e-10 2.528164e-11 ] [ 3.460003e-11 2.6370725e-10 2.6940422e-10 ] [ 2.4804363e-10 -9.65476e-12 2.414716e-11 ] [ 3.2537649e-10 -9.413645e-11 2.4539454e-10 ] [ 6.189046e-11 4.1038784e-10 6.988479e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 1.49e-05 -6.5e-06 ] [ 7.2e-06 -2.07e-05 -1.06e-05 ] [ -8.3e-06 8e-07 1.93e-05 ] [ -4.2e-06 2.2e-06 -6.1e-06 ] [ -7.6e-06 6.8e-06 0.0 ] [ 6.7e-06 -4.1e-06 3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 2.387243164992e-14 -1.04141480352e-14 ] [ 1.153567166976e-14 -3.316505605055999e-14 -1.698307218048e-14 ] [ -1.329806595264e-14 1.28174129664e-15 3.092200878144e-14 ] [ -6.72914180736e-15 3.52478856576e-15 -9.77327738688e-15 ] [ -1.217654231808e-14 1.089480102144e-14 0.0 ] [ 1.073458335936e-14 -6.568924145279999e-15 6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.113757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.101055487625235e-18 } }