{ "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" [ [ 0.0571765 -0.177203 0.8000782 ] [ 0.1772053 0.6055976 -0.0419944 ] [ 1.3048703 0.6808077 -0.845811 ] [ 2.7171181 2.6065328 1.8444706 ] [ -2.6301741 -2.3534157 -2.1797993 ] [ -1.4557063 -1.0247923 1.4437955 ] [ -0.1704898 -0.3375271 -1.0207396 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.16068515591712e-11 -2.839105037356224e-10 1.281866586851746e-09 ] [ 2.839141887418503e-10 9.702743163325901e-10 -6.728244588452352e-11 ] [ 2.090632687836282e-09 1.09077418020062e-09 -1.355138609815469e-09 ] [ 4.353303095772516e-09 4.176125913508362e-09 2.955167673072949e-09 ] [ -4.214003451653681e-09 -3.770587613563667e-09 -3.492423476496206e-09 ] [ -2.332298600611271e-09 -1.64189826423586e-09 2.313215395316247e-09 ] [ -2.731547716448679e-10 -5.407780285064237e-10 -1.635405123044744e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.693892158928929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.072479751919237e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2730461 2.0863498 4.47389 ] [ 2.4337415 3.9202821 2.8817765 ] [ 5.1991523 0.9624877 2.6567063 ] [ 4.7837253 3.2885737 2.9308674 ] [ 2.9958445 1.6529886 2.0299372 ] [ 3.3479072 0.0760233 3.7944331 ] [ 3.6553111 3.9615218 4.9015675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2730461e-10 2.0863498e-10 4.47389e-10 ] [ 2.4337415e-10 3.9202821e-10 2.8817765e-10 ] [ 5.199152299999999e-10 9.624877e-11 2.6567063e-10 ] [ 4.783725300000001e-10 3.2885737e-10 2.9308674e-10 ] [ 2.9958445e-10 1.6529886e-10 2.0299372e-10 ] [ 3.3479072e-10 7.60233e-12 3.7944331e-10 ] [ 3.6553111e-10 3.9615218e-10 4.9015675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.29e-05 2.3e-06 -7.4e-06 ] [ -2.84e-05 1.21e-05 2.97e-05 ] [ 5.69e-05 -1.99e-05 -1.79e-05 ] [ -3.7e-06 -3.21e-05 -3.25e-05 ] [ 1.96e-05 6e-06 -4.9e-06 ] [ -5.7e-06 6.3e-06 1.07e-05 ] [ 1.42e-05 2.52e-05 2.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.475514324032001e-14 3.68500622784e-15 -1.185610699392e-14 ] [ -4.550181603071999e-14 1.938633711168e-14 4.758464563776e-14 ] [ 9.116384972352e-14 -3.188331475392e-14 -2.867896151232001e-14 ] [ -5.928053496960001e-15 -5.142986952768e-14 -5.207074017599999e-14 ] [ 3.140266176767999e-14 9.6130597248e-15 -7.850665441919999e-15 ] [ -9.13240673856e-15 1.009371271104e-14 1.714328984256e-14 ] [ 2.275090801536e-14 4.037485084416e-14 3.588875630592e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.968453158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.276686935517584e-18 } }