{ "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" [ [ -4.2188095 -3.8904804 3.4509289 ] [ -2.4977425 3.2222743 -5.0836832 ] [ 15.600672 -4.6348498 -2.567007 ] [ 8.7632991 12.7889194 1.9678329 ] [ -13.4417538 -4.6541597 -10.617419 ] [ -8.53493 -5.9415996 7.5753762 ] [ 4.3292645 3.1098958 5.2739712 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.759277948508937e-09 -6.233236740560632e-09 5.528997603623062e-09 ] [ -4.001824638278544e-09 5.162652549264685e-09 -8.14495837059373e-09 ] [ 2.499503194716918e-08 -7.425847990479556e-09 -4.112798600829946e-09 ] [ 1.404035293909768e-08 2.049010766797556e-08 3.152815866021064e-09 ] [ -2.153606368090956e-08 -7.456785860809542e-09 -1.701098049503772e-08 ] [ -1.367446530616454e-08 -9.519491969274631e-09 1.213709064140475e-08 ] [ 6.936246367159401e-09 4.982602343884112e-09 8.449833355412521e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4771686 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.358192134149987e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2390017 2.401608 4.6752791 ] [ 2.46771 3.4513929 2.4591928 ] [ 5.4858639 1.1964204 3.0709712 ] [ 4.8421905 3.6048344 3.1045934 ] [ 2.2432215 1.2218671 1.2852333 ] [ 3.1536469 0.4315849 3.5088067 ] [ 4.2570936 3.6405193 5.5651015 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2390017e-10 2.401608e-10 4.6752791e-10 ] [ 2.46771e-10 3.4513929e-10 2.4591928e-10 ] [ 5.4858639e-10 1.1964204e-10 3.0709712e-10 ] [ 4.8421905e-10 3.6048344e-10 3.1045934e-10 ] [ 2.2432215e-10 1.2218671e-10 1.2852333e-10 ] [ 3.1536469e-10 4.315849e-11 3.5088067e-10 ] [ 4.2570936e-10 3.6405193e-10 5.5651015e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.04e-05 -7.5e-06 2.46e-05 ] [ 4.93e-05 2.34e-05 3.46e-05 ] [ 5.9e-06 -1.81e-05 -5.2e-06 ] [ -1.69e-05 2.94e-05 -7.3e-06 ] [ -2.3e-06 -2.13e-05 -1.47e-05 ] [ -8.7e-06 -1.09e-05 -2.9e-06 ] [ -1.69e-05 5.1e-06 -2.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.666263685632e-14 -1.2016324656e-14 3.941354487168e-14 ] [ 7.898730740544e-14 3.749093292672001e-14 5.543531107968001e-14 ] [ 9.45284206272e-15 -2.899939683648e-14 -8.33131842816e-15 ] [ -2.707678489152e-14 4.710399265152e-14 -1.169588933184e-14 ] [ -3.68500622784e-15 -3.412636202304e-14 -2.355199632576e-14 ] [ -1.393893660096e-14 -1.746372516672e-14 -4.646312200320001e-15 ] [ -2.707678489152e-14 8.17110076608e-15 -4.662333966527999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }