{ "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" [ [ 1.497272 0.041495 0.0459008 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.497272e-10 4.1495e-12 4.59008e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5908215 -0.6132046 0.8263541 ] [ -84.1464709 29.3033748 -56.5953275 ] [ -6.1286767 -7.2754782 15.6185458 ] [ -13.9278753 -45.9584965 -2.3744589 ] [ 75.9899555 -15.7867243 9.1841963 ] [ 26.6222458 40.3305288 33.3406902 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.548777015165987e-09 -9.824620738870156e-10 1.323965219522225e-09 ] [ -1.348175083988075e-07 4.694918201509988e-08 -9.067571056701932e-08 ] [ -9.819222525181696e-09 -1.165660107718007e-08 2.502366893165403e-08 ] [ -2.231491618307779e-08 -7.363362861941862e-08 -3.804302536630485e-09 ] [ 1.217493301177324e-07 -2.529312059247525e-08 1.471470459269786e-08 ] [ 4.2653539813951e-08 6.461663034786109e-08 5.341767435977567e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.760703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.646666621957242e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2490556 -0.4169421 0.1486922 ] [ -0.1076597 3.3794043 0.2574641 ] [ -0.1363169 1.5487558 2.1060426 ] [ 1.933597 0.145634 2.6280715 ] [ 2.1154304 2.1039946 0.585927 ] [ 3.3856865 2.2487363 2.8062085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2490556e-10 -4.169421e-11 1.486922e-11 ] [ -1.076597e-11 3.3794043e-10 2.574641e-11 ] [ -1.363169e-11 1.5487558e-10 2.1060426e-10 ] [ 1.933597e-10 1.45634e-11 2.6280715e-10 ] [ 2.1154304e-10 2.1039946e-10 5.85927e-11 ] [ 3.3856865e-10 2.2487363e-10 2.8062085e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 2e-07 -1.4e-05 ] [ 1.81e-05 -3.54e-05 1.52e-05 ] [ 2.4e-05 -5e-07 -3.07e-05 ] [ -3.83e-05 3.44e-05 -1.37e-05 ] [ -4.31e-05 -6.4e-06 4.58e-05 ] [ 3.66e-05 7.7e-06 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 3.2043532416e-16 -2.24304726912e-14 ] [ 2.899939683648e-14 -5.671705237632e-14 2.435308463616e-14 ] [ 3.84522388992e-14 -8.010883104e-16 -4.918682225856e-14 ] [ -6.136336457664001e-14 5.511487575552001e-14 -2.194981970496e-14 ] [ -6.905381235648e-14 -1.025393037312e-14 7.337968923264e-14 ] [ 5.863966432128e-14 1.233675998016e-14 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.21358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.078354867787046e-18 } }