{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.072399 2.177963 4.557602 ] [ 2.377271 3.879759 3.040396 ] [ 5.261436 0.7705425 2.642102 ] [ 4.650297 3.074511 2.607434 ] [ 3.240336 1.703827 1.872622 ] [ 3.483569 0.4560924 3.818111 ] [ 3.60342 3.885532 5.130911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.072399e-10 2.177963e-10 4.557602e-10 ] [ 2.377271e-10 3.879759e-10 3.040396e-10 ] [ 5.261436e-10 7.705425e-11 2.642102e-10 ] [ 4.650297000000001e-10 3.074511e-10 2.607434e-10 ] [ 3.240336e-10 1.703827e-10 1.872622e-10 ] [ 3.483569e-10 4.560924000000001e-11 3.818111e-10 ] [ 3.60342e-10 3.885532e-10 5.130911000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.2822858 -15.1339761 8.6277912 ] [ -4.1860504 9.7198756 -16.7958503 ] [ 48.5109221 -6.6680673 -17.1534271 ] [ 42.697693 47.9909852 18.839284 ] [ -54.7015557 -27.9051829 -32.4502577 ] [ -32.4376796 -15.5077512 28.9216262 ] [ 10.3989565 7.5041166 10.0108339 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.647403791714382e-08 -2.424730268716596e-08 1.382324534978398e-08 ] [ -6.706792084370489e-09 1.557295744340437e-08 -2.690991867711667e-08 ] [ 7.772306524207005e-08 -1.068342153398098e-08 -2.748281986621714e-08 ] [ 6.840924548669582e-08 7.689003449659881e-08 3.018386037741151e-08 ] [ -8.764155366392898e-08 -4.470903164152794e-08 -5.199104422587518e-08 ] [ -5.19708918881211e-08 -2.484615641382314e-08 4.633755333315675e-08 ] [ 1.66609649850162e-08 1.202292017627719e-08 1.603912402929209e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.92853452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.48767629954975e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0778107 2.1136409 5.0095751 ] [ 2.1890309 3.675314 2.8871792 ] [ 5.4107903 0.8838048 2.8754646 ] [ 4.9245844 3.4351798 2.6969417 ] [ 3.1717514 1.6744506 1.5118338 ] [ 3.0329393 0.1689762 3.672859 ] [ 3.8818209 3.9968606 5.0153247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0778107e-10 2.1136409e-10 5.009575100000001e-10 ] [ 2.1890309e-10 3.675314000000001e-10 2.8871792e-10 ] [ 5.410790300000001e-10 8.838048e-11 2.8754646e-10 ] [ 4.9245844e-10 3.4351798e-10 2.6969417e-10 ] [ 3.1717514e-10 1.6744506e-10 1.5118338e-10 ] [ 3.0329393e-10 1.689762e-11 3.672859e-10 ] [ 3.8818209e-10 3.9968606e-10 5.0153247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.5e-06 1.19e-05 7.9e-06 ] [ 1.94e-05 -1.31e-05 1.69e-05 ] [ 8.8e-06 1.57e-05 -7e-06 ] [ 5.6e-05 -2.5e-06 -5.27e-05 ] [ -1.39e-05 8.8e-06 -7.4e-06 ] [ -2.08e-05 -2.42e-05 1.21e-05 ] [ -5.5e-05 3.5e-06 3.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.8119714144e-15 1.906590178752e-14 1.265719530432e-14 ] [ 3.108222644352e-14 -2.098851373248e-14 2.707678489152e-14 ] [ 1.409915426304e-14 2.515417294656e-14 -1.12152363456e-14 ] [ 8.97218907648e-14 -4.005441552e-15 -8.443470791616e-14 ] [ -2.227025502912e-14 1.409915426304e-14 -1.185610699392e-14 ] [ -3.332527371264e-14 -3.877267422336e-14 1.938633711168e-14 ] [ -8.8119714144e-14 5.6076181728e-15 4.838573394816e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.606916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942462552518945e-18 } }