{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4661189 -0.7851939 1.7258267 ] [ 0.6700211 -0.0404086 -0.9192642 ] [ 3.9050446 -0.1150238 -1.1529146 ] [ 3.8899172 5.5760213 3.3166234 ] [ -5.485587 -2.8256772 -4.3326484 ] [ -3.1137335 -1.6272525 2.7174383 ] [ 0.6004565 -0.1824653 -1.3550613 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.46804804093013e-10 -1.258019309374773e-09 2.765079190292415e-09 ] [ 1.073492141862699e-09 -6.474171419925889e-11 -1.472823609578415e-09 ] [ 6.256571161301287e-09 -1.84288443195575e-10 -1.847172817898983e-09 ] [ 6.232334394687798e-09 8.933770963942822e-09 5.313816471478208e-09 ] [ -8.78887924276441e-09 -4.527233947767606e-09 -6.941667972626528e-09 ] [ -4.988751017101757e-09 -2.607145911638352e-09 4.353816112726497e-09 ] [ 9.620373661073951e-10 -2.923416377672582e-10 -2.171047534610855e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.190659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.074682518754511e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1598414 2.1613667 4.7954289 ] [ 2.6202083 3.4649367 2.7821202 ] [ 5.0715362 1.1972625 2.6117695 ] [ 5.0454684 3.4942875 3.0683316 ] [ 2.8913347 1.4078121 1.6474942 ] [ 3.1552899 0.3121141 3.7587064 ] [ 3.7450492 3.9104472 5.0053273 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1598414e-10 2.1613667e-10 4.7954289e-10 ] [ 2.6202083e-10 3.4649367e-10 2.7821202e-10 ] [ 5.071536199999999e-10 1.1972625e-10 2.6117695e-10 ] [ 5.0454684e-10 3.4942875e-10 3.0683316e-10 ] [ 2.8913347e-10 1.4078121e-10 1.6474942e-10 ] [ 3.1552899e-10 3.121141e-11 3.7587064e-10 ] [ 3.7450492e-10 3.9104472e-10 5.005327300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 -1.59e-05 9.5e-06 ] [ -1.35e-05 2.34e-05 -4.24e-05 ] [ -7e-07 -4.5e-06 2.22e-05 ] [ -6e-06 8.6e-06 -1.69e-05 ] [ 7.2e-06 1.04e-05 2.59e-05 ] [ -5e-06 -1.05e-05 -1.09e-05 ] [ 1.29e-05 -1.15e-05 1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.33131842816e-15 -2.547460827072e-14 1.52206778976e-14 ] [ -2.16293843808e-14 3.749093292672001e-14 -6.793228872192001e-14 ] [ -1.12152363456e-15 -7.2097947936e-15 3.556832098176e-14 ] [ -9.6130597248e-15 1.377871893888e-14 -2.707678489152e-14 ] [ 1.153567166976e-14 1.666263685632e-14 4.149637447872e-14 ] [ -8.010883104e-15 -1.68228545184e-14 -1.746372516672e-14 ] [ 2.066807840832e-14 -1.84250311392e-14 2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.247465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.564436829506627e-18 } }