{ "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" [ [ 0.9361832 -11.0834556 1.3463097 ] [ -5.6389768 -0.6495532 0.5004239 ] [ -2.3857155 5.290656 -10.6559256 ] [ -1.2726374 7.5964134 7.6871679 ] [ 8.3611465 -1.1540606 1.1220241 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.499930835825731e-09 -1.775765343999484e-08 2.157025925696262e-09 ] [ -9.034636794193597e-09 -1.040698951005827e-09 8.017674730695571e-10 ] [ -3.822337597980182e-09 8.476565351895246e-09 -1.707267486930421e-08 ] [ -2.038989889035698e-09 1.217079595141184e-08 1.231620068954423e-08 ] [ 1.339603344538375e-08 -1.849008912306421e-09 1.797680780994161e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0053816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.610798894502497e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.27137 1.1302932 2.9211452 ] [ 0.4671701 2.856491 2.6794764 ] [ 2.0032481 3.696705 0.882864 ] [ 2.0261928 4.1761245 4.1359506 ] [ 3.7333707 3.1455883 2.6138308 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.27137e-10 1.1302932e-10 2.9211452e-10 ] [ 4.671701e-11 2.856491e-10 2.6794764e-10 ] [ 2.0032481e-10 3.696705e-10 8.82864e-11 ] [ 2.0261928e-10 4.1761245e-10 4.1359506e-10 ] [ 3.7333707e-10 3.1455883e-10 2.6138308e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 1.4e-05 -1.4e-06 ] [ -5.6e-06 1.4e-06 -4e-06 ] [ -3.6e-06 -6.6e-06 1.25e-05 ] [ 4e-06 -1.06e-05 -1.08e-05 ] [ 5.6e-06 1.8e-06 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 2.24304726912e-14 -2.24304726912e-15 ] [ -8.972189076479999e-15 2.24304726912e-15 -6.4087064832e-15 ] [ -5.76783583488e-15 -1.057436569728e-14 2.002720776e-14 ] [ 6.4087064832e-15 -1.698307218048e-14 -1.730350750464e-14 ] [ 8.972189076479999e-15 2.88391791744e-15 5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }