{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.3992701 -17.6484672 -2.4847782 ] [ -12.198732 9.5938338 -0.8156566 ] [ 18.8645772 -10.8685471 3.6179663 ] [ 6.6754494 8.0574289 -13.130428 ] [ 11.0579756 10.8657516 12.8128965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.909194011880447e-08 -2.827596154079564e-08 -3.981053539913507e-09 ] [ -1.954452321380483e-08 1.537101621820082e-08 -1.306825935121217e-09 ] [ 3.022438455111673e-08 -1.741333206568364e-08 5.796621020702279e-09 ] [ 1.069524896201339e-08 1.290942420733826e-08 -2.10372647626977e-08 ] [ 1.771682997969686e-08 1.740885318094019e-08 2.052852321703015e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.4779887 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.037888204494658e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6036264 0.3060574 1.2993288 ] [ 0.8045332 2.731413 1.4433511 ] [ 2.5026887 0.0588526 2.8079001 ] [ 1.5492998 3.5795413 -0.619759 ] [ 2.7030642 2.4841868 2.9526318 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.036264e-11 3.060574e-11 1.2993288e-10 ] [ 8.045332e-11 2.731413e-10 1.4433511e-10 ] [ 2.5026887e-10 5.88526e-12 2.8079001e-10 ] [ 1.5492998e-10 3.5795413e-10 -6.19759e-11 ] [ 2.7030642e-10 2.4841868e-10 2.9526318e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.09e-05 -2.16e-05 -2e-06 ] [ 9e-07 1.79e-05 -1.13e-05 ] [ 8.3e-06 -3.6e-06 1.06e-05 ] [ -2e-06 9.1e-06 6e-07 ] [ 3.7e-06 -1.8e-06 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.746372516672e-14 -3.460701500928e-14 -3.2043532416e-15 ] [ 1.44195895872e-15 2.867896151232001e-14 -1.810459581504e-14 ] [ 1.329806595264e-14 -5.76783583488e-15 1.698307218048e-14 ] [ -3.2043532416e-15 1.457980724928e-14 9.6130597248e-16 ] [ 5.928053496960001e-15 -2.88391791744e-15 3.2043532416e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }