{ "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" [ [ 1.26541 0.4689135 1.770405 ] [ 0.1075881 2.160004 0.6716672 ] [ 0.5668509 2.899878 2.242644 ] [ 2.824031 1.222886 2.646945 ] [ 2.932592 2.399832 0.52394 ] [ 1.820297 2.092873 2.325497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26541e-10 4.689135e-11 1.770405e-10 ] [ 1.075881e-11 2.160004e-10 6.716672e-11 ] [ 5.668509000000001e-11 2.899878e-10 2.242644e-10 ] [ 2.824031e-10 1.222886e-10 2.646945e-10 ] [ 2.932592e-10 2.399832e-10 5.2394e-11 ] [ 1.820297e-10 2.092873e-10 2.325497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.2296091 -36.8277744 -10.2316164 ] [ -10.8244103 -7.0859957 -24.6317932 ] [ -69.1024299 58.8302239 17.6764933 ] [ 97.1356409 -66.2971965 34.2261866 ] [ 11.5935914 5.729686 -12.3688788 ] [ -6.5727829 45.6510567 -4.6703915 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.561575998954293e-08 -5.900459913977675e-08 -1.639285658907386e-08 ] [ -1.734261711660671e-08 -1.135301664562933e-08 -3.946448319342042e-08 ] [ -1.107142976262509e-07 9.425640932900939e-08 2.832086430298784e-08 ] [ 1.556284528964043e-07 -1.062198182568836e-07 5.483639598965824e-08 ] [ 1.857498109218794e-08 9.17996895372507e-09 -1.981712843886876e-08 ] [ -1.053075909597402e-08 7.314105575955519e-08 -7.482792071283043e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 53.828275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.624240374299312e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1454043 0.2104084 1.3678391 ] [ -0.947187 1.3342895 1.4654701 ] [ 0.1463333 3.3705793 1.921859 ] [ 2.8610437 0.4331926 3.1554222 ] [ 3.9630548 3.4312868 0.4754757 ] [ 2.34812 2.46463 1.7950323 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1454043e-10 2.104084e-11 1.3678391e-10 ] [ -9.471870000000001e-11 1.3342895e-10 1.4654701e-10 ] [ 1.463333e-11 3.3705793e-10 1.921859e-10 ] [ 2.861043700000001e-10 4.331926e-11 3.1554222e-10 ] [ 3.9630548e-10 3.4312868e-10 4.754757e-11 ] [ 2.34812e-10 2.46463e-10 1.7950323e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-05 2.66e-05 -1.02e-05 ] [ 1.92e-05 -3.3e-06 3.26e-05 ] [ 2.19e-05 -1.52e-05 -2.11e-05 ] [ -2.7e-05 -2.6e-06 -1.58e-05 ] [ -1.5e-05 -2.22e-05 1.5e-05 ] [ -2.71e-05 1.67e-05 -5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-14 4.261789811328e-14 -1.634220153216e-14 ] [ 3.076179111936e-14 -5.28718284864e-15 5.223095783807999e-14 ] [ 3.508766799552e-14 -2.435308463616e-14 -3.380592669888e-14 ] [ -4.32587687616e-14 -4.16565921408e-15 -2.531439060864e-14 ] [ -2.4032649312e-14 -3.556832098176e-14 2.4032649312e-14 ] [ -4.341898642368e-14 2.675634956736e-14 -8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.786238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.208798821238455e-18 } }