{ "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" [ [ -3.2473926 -0.4318932 -0.5002524 ] [ 2.5916783 -1.2712812 -0.7852762 ] [ -2.2488351 3.5608466 -0.5654652 ] [ 0.2473835 -0.7753608 1.115048 ] [ 0.6904422 -5.2171922 -0.306231 ] [ -1.3556764 0.0035262 1.7998089 ] [ 3.3224002 4.1313547 -0.757632 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.202896502278926e-09 -6.919691877224985e-10 -8.0149269977909e-10 ] [ 4.152326380894688e-09 -2.036817017102569e-09 -1.258151168510665e-09 ] [ -3.60303102125443e-09 5.70510517277517e-09 -9.059751233159961e-10 ] [ 3.963520600716769e-10 -1.242264946444785e-09 1.786503836669799e-09 ] [ 1.106210350853718e-09 -8.358863369060118e-09 -4.906361487642048e-10 ] [ -2.172033033450309e-09 5.64959520026496e-12 2.883611741487765e-09 ] [ 5.323071925381245e-09 6.619159912572198e-09 -1.213860277569946e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.419531 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.310263545110085e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0640368 0.1273554 1.5777101 ] [ 2.0914928 1.2318707 2.1204497 ] [ 2.3830131 3.4324643 3.2198701 ] [ 1.6785475 0.3378876 4.5124613 ] [ 4.0953389 0.4556262 3.4859821 ] [ 3.2310285 2.2048038 5.2805299 ] [ 4.8505463 2.8775582 3.3222268 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.403680000000001e-12 1.273554e-11 1.5777101e-10 ] [ 2.0914928e-10 1.2318707e-10 2.1204497e-10 ] [ 2.3830131e-10 3.4324643e-10 3.2198701e-10 ] [ 1.6785475e-10 3.378876e-11 4.5124613e-10 ] [ 4.0953389e-10 4.556262e-11 3.485982100000001e-10 ] [ 3.2310285e-10 2.2048038e-10 5.2805299e-10 ] [ 4.8505463e-10 2.8775582e-10 3.3222268e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 6.4e-06 4.5e-06 ] [ -2.44e-05 -2.38e-05 -5e-06 ] [ -7.2e-06 1.52e-05 -1.33e-05 ] [ -1.74e-05 1.12e-05 -1.02e-05 ] [ 1.68e-05 -1.88e-05 9.6e-06 ] [ 3.02e-05 -1.57e-05 -5.9e-06 ] [ -4.6e-06 2.54e-05 2.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04141480352e-14 1.025393037312e-14 7.2097947936e-15 ] [ -3.909310954752e-14 -3.813180357504e-14 -8.010883104e-15 ] [ -1.153567166976e-14 2.435308463616e-14 -2.130894905664e-14 ] [ -2.787787320192e-14 1.794437815296e-14 -1.634220153216e-14 ] [ 2.691656722944e-14 -3.012092047104e-14 1.538089555968e-14 ] [ 4.838573394816e-14 -2.515417294656e-14 -9.45284206272e-15 ] [ -7.370012455680001e-15 4.069528616832e-14 3.252418540224e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.350649 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.61966275627069e-18 } }