{ "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" [ [ 1.009597 0.3628337 1.078601 ] [ 0.0352367 0.1167127 2.680629 ] [ 0.3335965 1.756245 2.167544 ] [ 2.066416 0.0072977 2.832654 ] [ 2.311694 1.962933 1.086024 ] [ 2.552148 1.611374 2.965257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.009597e-10 3.628337e-11 1.078601e-10 ] [ 3.52367e-12 1.167127e-11 2.680629e-10 ] [ 3.335965e-11 1.756245e-10 2.167544e-10 ] [ 2.066416e-10 7.2977e-13 2.832654e-10 ] [ 2.311694e-10 1.962933e-10 1.086024e-10 ] [ 2.552148e-10 1.611374e-10 2.965257e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6455908 -8.6576578 -16.6429964 ] [ -12.0648709 -10.0434734 9.1125765 ] [ -5.9533261 16.0487702 1.9095125 ] [ 5.972572 -13.9176693 4.9543397 ] [ 4.2359883 6.3027471 -8.8098236 ] [ 7.1640459 10.2672831 9.4763913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.034350486363569e-09 -1.387109691804676e-08 -2.666501973213857e-08 ] [ -1.933005408895026e-08 -1.609141827310669e-08 1.459995702355149e-08 ] [ -9.538279893418442e-09 2.571296440703174e-08 3.05937628462536e-09 ] [ 9.569115224444697e-09 -2.22985643684859e-08 7.937727238841287e-09 ] [ 6.786801420242337e-09 1.0098114050435e-08 -1.411489340529209e-08 ] [ 1.147806685131809e-08 1.645000094195495e-08 1.518285259041252e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5674379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.920018841135849e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3947822 -0.1892157 0.7354722 ] [ -0.1727111 0.1211957 2.5305368 ] [ 0.3739039 2.4017624 2.6134778 ] [ 2.1123352 -0.4441267 3.0149044 ] [ 1.9414297 2.0913416 0.8184375 ] [ 2.6589481 1.8364387 3.0978803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3947822e-10 -1.892157e-11 7.354722e-11 ] [ -1.727111e-11 1.211957e-11 2.5305368e-10 ] [ 3.739039000000001e-11 2.4017624e-10 2.6134778e-10 ] [ 2.1123352e-10 -4.441267e-11 3.0149044e-10 ] [ 1.9414297e-10 2.0913416e-10 8.184375e-11 ] [ 2.6589481e-10 1.8364387e-10 3.0978803e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.52e-05 -1.45e-05 1.6e-06 ] [ -4.16e-05 4e-07 3.1e-06 ] [ 1.74e-05 1.4e-06 -3.8e-06 ] [ 1.63e-05 -1.19e-05 -5.8e-06 ] [ -4.3e-06 1.19e-05 1.88e-05 ] [ -3e-06 1.28e-05 -1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.435308463616e-14 -2.32315610016e-14 2.56348259328e-15 ] [ -6.665054742528e-14 6.408706483200001e-16 4.96674752448e-15 ] [ 2.787787320192e-14 2.24304726912e-15 -6.08827115904e-15 ] [ 2.611547891904e-14 -1.906590178752e-14 -9.292624400640001e-15 ] [ -6.889359469440001e-15 1.906590178752e-14 3.012092047104e-14 ] [ -4.8065298624e-15 2.050786074624e-14 -2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.411418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27026967169763e-18 } }