{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1564068 7.0751327 -5.8854958 ] [ -0.0465036 -19.4199131 -4.7756873 ] [ -29.406693 18.5332929 7.5767532 ] [ -67.4951322 15.7525047 -12.8885478 ] [ 26.246793 -15.8051441 11.5385661 ] [ 23.4487352 -71.2661101 -69.7469624 ] [ 47.0963937 65.130237 74.1813741 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.505913182941415e-10 1.133561220099758e-08 -9.429603772576594e-09 ] [ -7.450698070303488e-11 -3.111413074678765e-08 -7.651494540311476e-09 ] [ -4.711471601964302e-08 2.969360859081863e-08 1.213929683861159e-08 ] [ -1.081391228286453e-07 2.523829474938212e-08 -2.064972996122327e-08 ] [ 4.205199811557709e-08 -2.532263236539506e-08 1.848682084297544e-08 ] [ 3.756901532477001e-08 -1.141808954575788e-07 -1.117469525290967e-07 ] [ 7.545674091013241e-08 1.043501430285631e-07 1.188516632818386e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 9.0353779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.4476271231473e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.866973 2.7621502 0.8917525 ] [ 0.7542696 1.118727 2.4775462 ] [ 1.3044188 2.7073194 4.3711888 ] [ 1.7860034 4.6253213 2.7360624 ] [ 3.8422121 2.773599 4.6042349 ] [ 4.1470947 3.2873005 2.0344853 ] [ 4.0496164 5.2960955 3.8623233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.866973e-10 2.7621502e-10 8.917525e-11 ] [ 7.542696000000001e-11 1.118727e-10 2.4775462e-10 ] [ 1.3044188e-10 2.7073194e-10 4.3711888e-10 ] [ 1.7860034e-10 4.625321300000001e-10 2.7360624e-10 ] [ 3.8422121e-10 2.773599e-10 4.6042349e-10 ] [ 4.1470947e-10 3.2873005e-10 2.0344853e-10 ] [ 4.0496164e-10 5.2960955e-10 3.8623233e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.38e-05 -6.93e-05 -4.78e-05 ] [ -3.52e-05 1.07e-05 7.5e-05 ] [ 8.8e-06 6.1e-06 -4.43e-05 ] [ 4.5e-05 7.99e-05 -2.27e-05 ] [ 6.11e-05 -9.5e-06 -7.07e-05 ] [ 3.64e-05 6.88e-05 7.21e-05 ] [ -9.23e-05 -8.68e-05 3.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.813180357504e-14 -1.1103083982144e-13 -7.658404247424001e-14 ] [ -5.639661705216e-14 1.714328984256e-14 1.2016324656e-13 ] [ 1.409915426304e-14 9.77327738688e-15 -7.097642430144e-14 ] [ 7.209794793600001e-14 1.2801391200192e-13 -3.636940929216e-14 ] [ 9.789299153088e-14 -1.52206778976e-14 -1.1327388709056e-13 ] [ 5.831922899712e-14 1.1022975151104e-13 1.1551693435968e-13 ] [ -1.4788090209984e-13 -1.3906893068544e-13 6.152358223872e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.341766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.899980839418433e-18 } }