{ "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" [ [ 1.497272 0.041495 0.0459008 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.497272e-10 4.1495e-12 4.59008e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4992279 -1.1838937 -0.1146592 ] [ -55.5753247 20.7118254 -31.7916437 ] [ -6.6708297 -3.6028877 10.2603006 ] [ -6.4296488 -27.9702279 3.3064184 ] [ 49.9486315 -8.2826338 -4.8120034 ] [ 15.2279437 20.3278177 23.1515873 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.606381178420888e-09 -1.896806823279806e-09 -1.837042911131328e-10 ] [ -8.904148666130305e-08 3.31840027033677e-08 -5.09358286925933e-08 ] [ -1.068784747473323e-08 -5.772462487866001e-09 1.643881387913618e-08 ] [ -1.030143307218614e-08 -4.481324558903489e-08 5.297466302707666e-09 ] [ 8.002653028957637e-08 -1.327024234233863e-08 -7.709679410208555e-09 ] [ 2.43978555800075e-08 3.256875453915162e-08 3.709293221207114e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.348521 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.138668844465831e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2046532 -0.1887263 0.1521764 ] [ 0.1618989 3.0264401 0.5395357 ] [ -0.455608 1.3934965 2.4059096 ] [ 1.7340387 0.2332196 2.594762 ] [ 2.5207406 2.313618 0.2167314 ] [ 3.2740694 2.2315348 2.6232907 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2046532e-10 -1.887263e-11 1.521764e-11 ] [ 1.618989e-11 3.0264401e-10 5.395357e-11 ] [ -4.556080000000001e-11 1.3934965e-10 2.4059096e-10 ] [ 1.7340387e-10 2.332196e-11 2.594762e-10 ] [ 2.5207406e-10 2.313618e-10 2.167314e-11 ] [ 3.2740694e-10 2.2315348e-10 2.6232907e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-06 5.83e-05 -2.52e-05 ] [ -4.47e-05 -4.15e-05 -2.32e-05 ] [ 2.74e-05 3.95e-05 1.3e-06 ] [ 2.8e-06 -6.6e-06 1.49e-05 ] [ 2.69e-05 -3.37e-05 4.17e-05 ] [ -5.4e-06 -1.6e-05 -9.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1215236438e-14 9.34068977622e-14 -4.037485117679999e-14 ] [ -7.16172955398e-14 -6.649033031099999e-14 -3.71704979088e-14 ] [ 4.389963977159999e-14 6.328597704299999e-14 2.0828296242e-15 ] [ 4.486094575199999e-15 -1.05743657844e-14 2.38724318466e-14 ] [ 4.309855145459999e-14 -5.399335256579999e-14 6.681076563779999e-14 ] [ -8.6517538236e-15 -2.5634826144e-14 -1.53808956864e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586619505538e-18 } }