{ "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" [ [ -22.2268873 -36.8269019 -10.2301807 ] [ -10.8244691 -7.0855145 -24.6313301 ] [ -69.009816 58.7683288 17.6840448 ] [ 96.6303896 -65.8645777 34.0654028 ] [ 11.5928977 5.7289281 -12.3669097 ] [ -6.162115 45.2797372 -4.5210272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.561139918521644e-08 -5.90032012406751e-08 -1.639055634409938e-08 ] [ -1.734271132459202e-08 -1.13522456782394e-08 -3.946374122542733e-08 ] [ -1.105659138009098e-07 9.415724244684733e-08 2.833296313973981e-08 ] [ 1.548189510759155e-07 -1.05526686529805e-07 5.457879194429486e-08 ] [ 1.857386966226609e-08 9.178754664064164e-09 -1.981397359288474e-08 ] [ -9.872796587680991e-09 7.254613633780805e-08 -7.243484081840885e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 53.787529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.6177121454402e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1454021 0.2104098 1.3678468 ] [ -0.947191 1.3342867 1.4654969 ] [ 0.1463348 3.3705753 1.9218772 ] [ 2.8610637 0.4331933 3.1554078 ] [ 3.9630376 3.4312895 0.4754447 ] [ 2.348122 2.4646319 1.7950247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1454021e-10 2.104098e-11 1.3678468e-10 ] [ -9.471910000000001e-11 1.3342867e-10 1.4654969e-10 ] [ 1.463348e-11 3.3705753e-10 1.9218772e-10 ] [ 2.8610637e-10 4.331933e-11 3.1554078e-10 ] [ 3.9630376e-10 3.4312895e-10 4.754447e-11 ] [ 2.348122e-10 2.4646319e-10 1.7950247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.38e-05 2.46e-05 -1.6e-05 ] [ 2.3e-05 -5.4e-06 3.57e-05 ] [ 1.94e-05 -1e-05 -2.22e-05 ] [ -2.57e-05 3.4e-06 -1.6e-05 ] [ -1.66e-05 -2.34e-05 1.8e-05 ] [ -2.39e-05 1.09e-05 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.813180357504e-14 3.941354487168e-14 -2.56348259328e-14 ] [ 3.68500622784e-14 -8.65175375232e-15 5.719770536256001e-14 ] [ 3.108222644352e-14 -1.6021766208e-14 -3.556832098176e-14 ] [ -4.117593915456e-14 5.44740051072e-15 -2.56348259328e-14 ] [ -2.659613190528e-14 -3.749093292672001e-14 2.88391791744e-14 ] [ -3.829202123712e-14 1.746372516672e-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 } }