{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.456763 -0.9313097 0.1519232 ] [ -0.993696 2.2074422 0.4823102 ] [ 0.7217526 -1.1283201 0.5319329 ] [ 0.8825456 -0.5745002 -1.151627 ] [ 0.249861 -0.8022391 -1.1221931 ] [ 0.8679701 0.689185 -0.120139 ] [ -1.2716702 0.539742 1.2277928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.318149998464704e-10 -1.492122628064262e-09 2.434077991971226e-10 ] [ -1.592076499382477e-09 3.536712284607318e-09 7.727461264133722e-10 ] [ 1.156375141721614e-09 -1.807768084998718e-09 8.522504562143445e-10 ] [ 1.413993927109909e-09 -9.204507890849243e-10 -1.845109855282042e-09 ] [ 4.003214526497088e-10 -1.285328730311633e-09 -1.797951548843077e-09 ] [ 1.390641401773438e-09 1.104196094406048e-09 -1.924838970462912e-10 ] [ -2.03744026380806e-09 8.647620136638338e-10 1.96714091934657e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.764611 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.647292752580651e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4361302 0.8242862 1.6997672 ] [ 1.8521532 2.8928891 2.7195417 ] [ 2.8177674 -0.1086205 3.8982907 ] [ 2.2221153 1.988468 4.8509103 ] [ 4.6993743 0.3255045 2.4255643 ] [ 4.1615901 2.6818557 2.1884682 ] [ 4.5432126 1.7489595 4.3869985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4361302e-10 8.242862e-11 1.6997672e-10 ] [ 1.8521532e-10 2.8928891e-10 2.7195417e-10 ] [ 2.8177674e-10 -1.086205e-11 3.8982907e-10 ] [ 2.2221153e-10 1.988468e-10 4.8509103e-10 ] [ 4.6993743e-10 3.255045e-11 2.4255643e-10 ] [ 4.1615901e-10 2.6818557e-10 2.1884682e-10 ] [ 4.543212600000001e-10 1.7489595e-10 4.3869985e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-06 1.2e-05 1.59e-05 ] [ 1.08e-05 -2.72e-05 -5.9e-06 ] [ -8.6e-06 1.2e-06 -1.38e-05 ] [ 4.1e-06 7.8e-06 -8.4e-06 ] [ 5e-06 -1.78e-05 -2.9e-06 ] [ -1.02e-05 1.41e-05 1.48e-05 ] [ 5.9e-06 9.8e-06 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-14 1.92261194496e-14 2.547460827072e-14 ] [ 1.730350750464e-14 -4.357920408576e-14 -9.45284206272e-15 ] [ -1.377871893888e-14 1.92261194496e-15 -2.211003736704e-14 ] [ 6.568924145279999e-15 1.249697764224e-14 -1.345828361472e-14 ] [ 8.010883104e-15 -2.851874385024e-14 -4.646312200320001e-15 ] [ -1.634220153216e-14 2.259069035328e-14 2.371221398784e-14 ] [ 9.45284206272e-15 1.570133088384e-14 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }