{ "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" [ [ -0.2779646 -0.3863088 0.5980708 ] [ 0.7893037 -0.4616005 -0.403168 ] [ 1.5486795 0.4519693 -0.7407765 ] [ 1.9981157 2.7920159 1.2739738 ] [ -2.4606486 -1.1092092 -1.0731032 ] [ -1.7388592 -1.0407201 1.3413798 ] [ 0.1413735 -0.2461466 -0.9963767 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.453483871991563e-10 -6.189349328685791e-10 9.582150612376871e-10 ] [ 1.264603945269746e-09 -7.39565535342717e-10 -6.45946349176512e-10 ] [ 2.481258108454803e-09 7.241346517453362e-10 -1.186854799316301e-09 ] [ 3.201334286568554e-09 4.473302636736481e-09 2.041131054688189e-09 ] [ -3.942393691404811e-09 -1.777149062457833e-09 -1.719300872910629e-09 ] [ -2.785959580055933e-09 -1.667417426754143e-09 2.149127372879593e-09 ] [ 2.26505318366799e-10 -3.943703310585444e-10 -1.596371467402028e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.635454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.145946559678183e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.220595 2.1423062 4.8801503 ] [ 2.3429853 3.5417691 2.9507578 ] [ 5.2296359 0.9891825 2.8498881 ] [ 4.757557 3.2972997 2.7837484 ] [ 3.242399 1.727008 1.70842 ] [ 3.1096299 0.348538 3.652177 ] [ 3.7859258 3.9021235 4.8440365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.220595e-10 2.1423062e-10 4.8801503e-10 ] [ 2.3429853e-10 3.5417691e-10 2.9507578e-10 ] [ 5.2296359e-10 9.891825e-11 2.8498881e-10 ] [ 4.757557e-10 3.2972997e-10 2.7837484e-10 ] [ 3.242399e-10 1.727008e-10 1.70842e-10 ] [ 3.1096299e-10 3.48538e-11 3.652177e-10 ] [ 3.7859258e-10 3.9021235e-10 4.8440365e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.65e-05 2.17e-05 -1.32e-05 ] [ -1.36e-05 1.8e-06 -4.8e-06 ] [ 7.2e-06 -2.88e-05 -7.5e-06 ] [ -2.76e-05 8.8e-06 2.61e-05 ] [ 1.26e-05 2.19e-05 -2.39e-05 ] [ -1.03e-05 -3.95e-05 1.91e-05 ] [ -4.9e-06 1.41e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.847944714099999e-14 3.476723295779999e-14 -2.11487315688e-14 ] [ -2.17896022224e-14 2.8839179412e-15 -7.690447843199998e-15 ] [ 1.15356717648e-14 -4.614268705919999e-14 -1.2016324755e-14 ] [ -4.42200750984e-14 1.40991543792e-14 4.18168101474e-14 ] [ 2.01874255884e-14 3.50876682846e-14 -3.82920215526e-14 ] [ -1.65024193302e-14 -6.328597704299999e-14 3.06015737094e-14 ] [ -7.850665506599998e-15 2.25906905394e-14 6.8893595262e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.037892 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.370641899101552e-18 } }