{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1474186 0.0964448 1.4484549 ] [ -0.6134991 -0.113185 -0.4942938 ] [ -2.1874071 2.6175562 -2.190799 ] [ -1.5778526 -0.9822961 -0.060472 ] [ 2.4382033 -3.3734025 -0.8230739 ] [ -0.8244569 0.2440772 2.4707937 ] [ 1.6175939 1.5108054 -0.3506101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.838367255191067e-09 1.545216037577318e-10 2.320680577063202e-09 ] [ -9.829339149018412e-10 -1.81342360825248e-10 -7.919459701663911e-10 ] [ -3.504612515791928e-09 4.193787347270089e-09 -3.51004693867202e-09 ] [ -2.527998546788494e-09 -1.573811846123019e-09 -9.68868246130176e-11 ] [ 3.906432324017408e-09 -5.404786618048272e-09 -1.318709759770677e-09 ] [ -1.320925570037244e-09 3.910547835103258e-10 3.958647900959929e-09 ] [ 2.591671128528693e-09 2.420577090458392e-09 -5.6173930523635e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.505487 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.644470538631833e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7056542 0.1998432 2.6233578 ] [ 2.4758515 1.2102018 1.3863943 ] [ 2.6808559 3.4915702 2.2333579 ] [ 0.912976 0.5990245 5.050958 ] [ 4.5409076 0.6169111 2.5472346 ] [ 2.8622209 1.9378082 5.7606791 ] [ 4.2155377 2.6122071 3.9172484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.056542e-11 1.998432e-11 2.6233578e-10 ] [ 2.4758515e-10 1.2102018e-10 1.3863943e-10 ] [ 2.6808559e-10 3.4915702e-10 2.2333579e-10 ] [ 9.129760000000001e-11 5.990245e-11 5.050957999999999e-10 ] [ 4.5409076e-10 6.169111e-11 2.5472346e-10 ] [ 2.8622209e-10 1.9378082e-10 5.760679100000001e-10 ] [ 4.2155377e-10 2.6122071e-10 3.9172484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-05 -2.47e-05 -4.25e-05 ] [ 1.35e-05 1.75e-05 7e-07 ] [ -1.79e-05 -7.9e-06 2.15e-05 ] [ -3.25e-05 1.42e-05 6.56e-05 ] [ 5.07e-05 -1.42e-05 -1.42e-05 ] [ 7.3e-06 4.3e-06 -4.12e-05 ] [ 1.48e-05 1.09e-05 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-14 -3.957376253376001e-14 -6.8092506384e-14 ] [ 2.16293843808e-14 2.8038090864e-14 1.12152363456e-15 ] [ -2.867896151232001e-14 -1.265719530432e-14 3.44467973472e-14 ] [ -5.207074017599999e-14 2.275090801536e-14 1.0510278632448e-13 ] [ 8.123035467456e-14 -2.275090801536e-14 -2.275090801536e-14 ] [ 1.169588933184e-14 6.889359469440001e-15 -6.600967677696001e-14 ] [ 2.371221398784e-14 1.746372516672e-14 1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.075996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.376746805127432e-18 } }