{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.613394 -10.7250312 -11.1027953 ] [ 6.6711672 -12.1321163 0.6367007 ] [ -12.4622641 6.673625 -16.8590692 ] [ -3.6237782 -8.6874186 9.0458432 ] [ 13.4071151 3.7471701 6.4106922 ] [ 13.1374447 14.5016037 -10.6965111 ] [ 4.4837093 6.6221673 22.5651395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.462847456293899e-08 -1.718339424599057e-08 -1.778863905518812e-08 ] [ 1.06883881212878e-08 -1.94377930966866e-08 1.020106975986995e-09 ] [ -1.996674818325515e-08 1.06923259509864e-08 -2.701120652068936e-08 ] [ -5.805932711004707e-09 -1.391877897602307e-08 1.449303849046266e-08 ] [ 2.148056636559466e-08 6.003628328380799e-09 1.027106116598492e-08 ] [ 2.104850675539287e-08 2.323413041224678e-08 -1.713770000854769e-08 ] [ 7.183694214923534e-09 1.060988162708626e-08 3.615333895199061e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.256875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.6433325327468e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7120456 3.6870047 2.0127219 ] [ 4.333106 0.7885133 2.0976085 ] [ 3.7711998 2.8747877 0.6915099 ] [ 4.4732206 1.9261727 4.4267725 ] [ 5.8396274 3.0539573 2.4992718 ] [ 4.1049894 4.972237 2.443026 ] [ 2.7897542 3.7879363 4.3722287 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7120456e-10 3.6870047e-10 2.0127219e-10 ] [ 4.333106e-10 7.885133e-11 2.0976085e-10 ] [ 3.771199800000001e-10 2.8747877e-10 6.915099e-11 ] [ 4.4732206e-10 1.9261727e-10 4.4267725e-10 ] [ 5.8396274e-10 3.0539573e-10 2.4992718e-10 ] [ 4.1049894e-10 4.972237e-10 2.443026e-10 ] [ 2.7897542e-10 3.7879363e-10 4.3722287e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.21e-05 2.47e-05 3.32e-05 ] [ 3.03e-05 3.11e-05 3.52e-05 ] [ -2.43e-05 1.62e-05 -1.42e-05 ] [ 1.02e-05 3.77e-05 -4.33e-05 ] [ 3.33e-05 -8.52e-05 -4.1e-06 ] [ -7.25e-05 -3.37e-05 4.27e-05 ] [ -2.91e-05 9.3e-06 -4.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.347340194367999e-14 3.957376253376001e-14 5.319226381056e-14 ] [ 4.854595161024e-14 4.982769290688e-14 5.639661705216e-14 ] [ -3.893289188544e-14 2.595526125696e-14 -2.275090801536e-14 ] [ 1.634220153216e-14 6.040205860416e-14 -6.937424768064e-14 ] [ 5.335248147264001e-14 -1.3650544809216e-13 -6.568924145279999e-15 ] [ -1.16157805008e-13 -5.399335212096e-14 6.841294170816001e-14 ] [ -4.662333966527999e-14 1.490024257344e-14 -7.946796039168e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.737843 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.803221708282094e-18 } }