{ "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" [ [ -18.1263818 -36.180084 -13.9495838 ] [ -10.3687791 -5.5738705 -21.6001391 ] [ -48.5391011 45.0914953 14.1118051 ] [ 80.4530806 -56.1430285 33.080293 ] [ 3.2189201 3.4291604 -8.0523525 ] [ -6.6377386 49.3763273 -3.5900228 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.904166513965462e-08 -5.796688472338015e-08 -2.234969703425042e-08 ] [ -1.661261546025967e-08 -8.930325002466807e-09 -3.460723787204795e-08 ] [ -7.776821297706757e-08 7.224453956657308e-08 2.260960420850621e-08 ] [ 1.289000448086581e-07 -8.99510476836081e-08 5.300047205381389e-08 ] [ 5.157278528443199e-09 5.494120621853177e-09 -1.290129091794043e-08 ] [ -1.063482959990172e-08 7.910959722102879e-08 -5.751850598298954e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 50.927985 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.15956269114531e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0904818 -0.007438 1.5869287 ] [ 0.295099 1.8691733 0.3219668 ] [ 0.0787243 3.1383247 2.4068286 ] [ 2.9264455 0.619 2.9486842 ] [ 2.6281114 2.6827581 0.2344854 ] [ 2.497907 2.9425685 2.6822044 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0904818e-10 -7.438e-13 1.5869287e-10 ] [ 2.95099e-11 1.8691733e-10 3.219668e-11 ] [ 7.87243e-12 3.1383247e-10 2.4068286e-10 ] [ 2.9264455e-10 6.19e-11 2.9486842e-10 ] [ 2.6281114e-10 2.6827581e-10 2.344854e-11 ] [ 2.497907e-10 2.9425685e-10 2.6822044e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.99e-05 -1.96e-05 1.2e-05 ] [ 3.68e-05 1.77e-05 -1.24e-05 ] [ 6.6e-06 -3.66e-05 1.2e-06 ] [ 2.85e-05 -1.13e-05 2.47e-05 ] [ -1.23e-05 2.42e-05 -2.69e-05 ] [ 3e-07 2.56e-05 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.597037958592001e-14 -3.140266176767999e-14 1.92261194496e-14 ] [ 5.896009964544001e-14 2.835852618816e-14 -1.986699009792e-14 ] [ 1.057436569728e-14 -5.863966432128e-14 1.92261194496e-15 ] [ 4.56620336928e-14 -1.810459581504e-14 3.957376253376001e-14 ] [ -1.970677243584e-14 3.877267422336e-14 -4.309855109952001e-14 ] [ 4.8065298624e-16 4.101572149248001e-14 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.057064 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.412407591868934e-18 } }