{ "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" [ [ 1.422927 0.2017469 2.232361 ] [ 0.633062 2.288682 0.1533226 ] [ 0.4085169 2.174523 2.673779 ] [ 1.949891 1.221121 0.2190205 ] [ 2.589215 1.862387 2.264415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.422927e-10 2.017469e-11 2.232361e-10 ] [ 6.33062e-11 2.288682e-10 1.533226e-11 ] [ 4.085169000000001e-11 2.174523e-10 2.673779e-10 ] [ 1.949891e-10 1.221121e-10 2.190205e-11 ] [ 2.589215e-10 1.862387e-10 2.264415e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7774849 -5.1634695 0.5066416 ] [ -11.4316091 9.1871891 0.5778503 ] [ -1.2850302 0.8769678 -0.6159354 ] [ 11.1675257 -9.4452318 -1.9274361 ] [ 4.3265985 4.5445444 1.4588796 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.450021371405027e-09 -8.272790115113865e-09 8.117293266447053e-10 ] [ -1.831545683814453e-08 1.471949958688859e-08 9.258182409822664e-10 ] [ -2.058845343461948e-09 1.40505730635441e-09 -9.868372978030964e-10 ] [ 1.789234858872316e-08 -1.51329295679967e-08 -3.088093057505931e-09 ] [ 6.931974964288349e-09 7.281162789867564e-09 2.337382787682055e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.898514775408902 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.439579366603506e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0647279 0.2012256 1.9330875 ] [ 0.570629 2.2313481 0.5299344 ] [ 0.368599 2.2320961 2.859353 ] [ 2.4328484 0.8672842 0.1578097 ] [ 2.5668077 2.2165059 2.0627134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0647279e-10 2.012256e-11 1.9330875e-10 ] [ 5.706290000000001e-11 2.2313481e-10 5.299344e-11 ] [ 3.68599e-11 2.2320961e-10 2.859353e-10 ] [ 2.4328484e-10 8.672842e-11 1.578097e-11 ] [ 2.5668077e-10 2.2165059e-10 2.0627134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -6e-06 3.9e-06 ] [ -4.6e-06 2e-06 -5e-06 ] [ 3.3e-06 -1.7e-06 -1.15e-05 ] [ -9.9e-06 8.7e-06 9e-06 ] [ 8.4e-06 -3e-06 3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 -9.6130597248e-15 6.24848882112e-15 ] [ -7.370012455680001e-15 3.2043532416e-15 -8.010883104e-15 ] [ 5.28718284864e-15 -2.72370025536e-15 -1.84250311392e-14 ] [ -1.586154854592e-14 1.393893660096e-14 1.44195895872e-14 ] [ 1.345828361472e-14 -4.8065298624e-15 5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }