{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8239583 -6.7848205 -6.1808227 ] [ -5.8248733 -1.5575392 7.6103546 ] [ -4.895312 1.0741662 -3.9100027 ] [ 4.0325113 -3.3550936 -10.9785628 ] [ 6.2103393 -10.2784586 8.7232408 ] [ -3.7353598 15.4564396 -0.8114914 ] [ 7.0366527 5.445306 5.5472842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.524479966374113e-09 -1.087048078142457e-08 -9.902769627249932e-09 ] [ -9.332475820382145e-09 -2.495452892219535e-09 1.219313221611773e-08 ] [ -7.843154437921689e-09 1.721003972493577e-09 -6.264514913204877e-09 ] [ 6.460795327971816e-09 -5.375452526515708e-09 -1.758959664814459e-08 ] [ 9.950060433695438e-09 -1.64679060667807e-08 1.397617246736869e-08 ] [ -5.984706141836164e-09 2.47639461679273e-08 -1.300152549060261e-09 ] [ 1.12739604446292e-08 8.724341966301966e-09 8.887729054173232e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.8794151 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.011154933998494e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1959145 1.461855 0.8954953 ] [ 2.021717 1.9740278 4.3590649 ] [ 1.414495 3.210309 2.3938535 ] [ 4.4651411 2.0224814 1.5602522 ] [ 4.3956574 1.8491587 4.0304697 ] [ 3.5424897 4.419412 2.0110241 ] [ 4.6700932 4.2618731 4.1579412 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1959145e-10 1.461855e-10 8.954953e-11 ] [ 2.021717e-10 1.9740278e-10 4.3590649e-10 ] [ 1.414495e-10 3.210309e-10 2.3938535e-10 ] [ 4.465141100000001e-10 2.0224814e-10 1.5602522e-10 ] [ 4.3956574e-10 1.8491587e-10 4.030469700000001e-10 ] [ 3.5424897e-10 4.419412e-10 2.0110241e-10 ] [ 4.6700932e-10 4.2618731e-10 4.1579412e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-05 9.9e-06 2.99e-05 ] [ -1.93e-05 -1.17e-05 1.5e-05 ] [ 2.46e-05 -1.9e-06 -1.49e-05 ] [ -1.9e-05 2.22e-05 -2.7e-06 ] [ -7e-06 -1.51e-05 -9e-06 ] [ -4.7e-06 -5.4e-06 -6.1e-06 ] [ 4.4e-06 2e-06 -1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-14 1.586154854592e-14 4.790508096192e-14 ] [ -3.092200878144e-14 -1.874546646336e-14 2.4032649312e-14 ] [ 3.941354487168e-14 -3.04413557952e-15 -2.387243164992e-14 ] [ -3.04413557952e-14 3.556832098176e-14 -4.32587687616e-15 ] [ -1.12152363456e-14 -2.419286697408e-14 -1.44195895872e-14 ] [ -7.53023011776e-15 -8.65175375232e-15 -9.77327738688e-15 ] [ 7.04957713152e-15 3.2043532416e-15 -1.954655477376e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }