{ "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" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.1569307 -5.5022864 -0.0679875 ] [ -3.4920813 5.4723591 -0.3250698 ] [ 4.177431 2.1210867 -2.681711 ] [ 0.0119717 -3.4672521 -1.549098 ] [ 5.8782071 0.8982888 5.0267086 ] [ 0.581402 0.4778038 -0.4028423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.146666704422578e-08 -8.815634631025796e-09 -1.0892798300664e-10 ] [ -5.594931016792871e-09 8.76768581064213e-09 -5.208192336881318e-10 ] [ 6.692982283205166e-09 3.398355521429824e-09 -4.296574667942189e-09 ] [ 1.918077785123136e-11 -5.555150253039704e-09 -2.481928598928039e-09 ] [ 9.417925987840569e-09 1.439217314086487e-09 8.053674998494299e-09 ] [ 9.315086916863615e-10 7.65526077689399e-10 -6.454245149292998e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.627458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.702706474613393e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5971623 0.6852369 3.7451093 ] [ 3.0623569 3.1884642 3.4270509 ] [ 5.4192912 2.3200504 2.6756764 ] [ 4.1839922 0.3473016 1.9126658 ] [ 4.5532285 1.7352684 5.0069141 ] [ 5.6313718 4.3890544 1.6026885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5971623e-10 6.852369000000001e-11 3.7451093e-10 ] [ 3.062356900000001e-10 3.1884642e-10 3.4270509e-10 ] [ 5.4192912e-10 2.3200504e-10 2.6756764e-10 ] [ 4.1839922e-10 3.473016e-11 1.9126658e-10 ] [ 4.553228500000001e-10 1.7352684e-10 5.0069141e-10 ] [ 5.6313718e-10 4.3890544e-10 1.6026885e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.24e-05 -1.09e-05 1.2e-05 ] [ -7e-07 1.11e-05 -1.9e-06 ] [ 1.63e-05 1.66e-05 5.1e-06 ] [ 1.4e-06 -1.97e-05 -2.25e-05 ] [ 7e-06 3.3e-06 7e-06 ] [ -1.6e-06 -5e-07 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.588875630592e-14 -1.746372516672e-14 1.92261194496e-14 ] [ -1.12152363456e-15 1.778416049088e-14 -3.04413557952e-15 ] [ 2.611547891904e-14 2.659613190528e-14 8.17110076608e-15 ] [ 2.24304726912e-15 -3.156287942976e-14 -3.604897396800001e-14 ] [ 1.12152363456e-14 5.28718284864e-15 1.12152363456e-14 ] [ -2.56348259328e-15 -8.010883104e-16 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.464691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.157281312649617e-18 } }