{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4873771 1.6871722 -2.7597981 ] [ 1.5958626 3.1233588 -0.5793977 ] [ -5.4037463 -3.3488354 2.407239 ] [ -4.0014978 1.7177468 -0.0360235 ] [ 6.3220044 -3.1794424 0.9679803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.383040835566681e-09 2.703147876374375e-09 -4.421684030377594e-09 ] [ 2.556853768794488e-09 5.004172488958279e-09 -9.282974567333418e-10 ] [ -8.657756057923953e-09 -5.365425828992043e-09 3.856822078253526e-09 ] [ -6.411106276162405e-09 2.752133786088271e-09 -5.7716009974899e-11 ] [ 1.012896772972519e-08 -5.094028322428881e-09 1.55087541883231e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.30994204636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.651834824458631e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2380629 1.586368 2.7982342 ] [ 0.3212467 2.8148627 2.7136873 ] [ 2.0309907 3.5194535 1.3284273 ] [ 2.027515 3.9285851 3.731948 ] [ 3.8835365 3.1559326 2.6609701 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2380629e-10 1.586368e-10 2.7982342e-10 ] [ 3.212467e-11 2.8148627e-10 2.7136873e-10 ] [ 2.0309907e-10 3.5194535e-10 1.3284273e-10 ] [ 2.027515e-10 3.9285851e-10 3.731948e-10 ] [ 3.8835365e-10 3.1559326e-10 2.6609701e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0119581 -0.1262004 0.0527489 ] [ -0.0553801 0.002696 -0.0242436 ] [ -0.0041121 0.0508479 -0.1281346 ] [ -0.002647 0.0577999 0.1269244 ] [ 0.0501812 0.0148565 -0.0272951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.91589884070354e-11 -2.021953320814536e-10 8.45130550492026e-11 ] [ -8.872870220858339e-11 4.319468205263999e-12 -3.88425294440424e-11 ] [ -6.588310536671399e-12 8.146731726796858e-11 -2.052942621269364e-10 ] [ -4.240961550198e-12 9.26056492275366e-11 2.033553079644696e-10 ] [ 8.03991461060808e-11 2.3802737163021e-11 -4.373157144269339e-11 ] ] } "relaxed-potential-energy" { "source-value" -12.92204004636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.070339062590445e-18 } }