{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4559523 -2.6795968 -1.9943805 ] [ -17.9744637 -10.8988662 -11.2515385 ] [ -4.0226356 6.7577661 0.2220966 ] [ 3.4235041 -3.3399775 -5.1376897 ] [ 8.8091924 -0.9300003 12.4294865 ] [ 16.2203551 11.0906747 5.7320256 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.034357584005999e-08 -4.293187346130494e-09 -3.195349810079415e-09 ] [ -2.879826551155827e-08 -1.746190861886734e-08 -1.80269519327311e-08 ] [ -6.44497271231778e-09 1.08271348542548e-08 3.558379800791693e-10 ] [ 5.485058230232945e-09 -5.351233864498031e-09 -8.231486322264966e-09 ] [ 1.411388211140904e-08 -1.490024737996986e-09 1.991423267884922e-08 ] [ 2.598787372229405e-08 1.776921971323805e-08 9.183717406147094e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.963816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.237249953235297e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.358731 0.3426075 2.2979137 ] [ 1.0542804 1.6690056 0.4467609 ] [ 0.7050144 2.8116563 2.5064326 ] [ 2.6389507 0.1074674 1.2954671 ] [ 2.289685 1.2501177 3.3551392 ] [ 2.9852344 2.576516 1.5039877 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.58731e-11 3.426075e-11 2.2979137e-10 ] [ 1.0542804e-10 1.6690056e-10 4.467609000000001e-11 ] [ 7.050144e-11 2.8116563e-10 2.5064326e-10 ] [ 2.6389507e-10 1.074674e-11 1.2954671e-10 ] [ 2.289685e-10 1.2501177e-10 3.3551392e-10 ] [ 2.9852344e-10 2.576516e-10 1.5039877e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.4e-06 3.3e-06 -4.4e-06 ] [ -8e-07 8e-07 1.4e-06 ] [ -1.8e-06 -3.3e-06 3e-06 ] [ 3.2e-06 5e-07 1e-06 ] [ 9e-07 9e-07 5e-06 ] [ 8e-07 -2.2e-06 -6.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.84522388992e-15 5.28718284864e-15 -7.04957713152e-15 ] [ -1.28174129664e-15 1.28174129664e-15 2.24304726912e-15 ] [ -2.88391791744e-15 -5.28718284864e-15 4.8065298624e-15 ] [ 5.126965186560001e-15 8.010883104e-16 1.6021766208e-15 ] [ 1.44195895872e-15 1.44195895872e-15 8.010883104e-15 ] [ 1.28174129664e-15 -3.52478856576e-15 -9.77327738688e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.062777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.855281874092396e-18 } }