{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2772244 0.0454801 -0.600081 ] [ -0.3145795 -1.3830472 3.112767 ] [ -1.6160058 0.6279823 -1.4655794 ] [ -0.4577164 1.0158137 -2.7671382 ] [ 0.2419522 0.2300212 1.4202535 ] [ 0.3948463 -0.4523764 0.282564 ] [ 1.4742788 -0.0838736 0.017214 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.441624560546695e-10 7.28671535319834e-11 -9.614357567073539e-10 ] [ -5.04011924435403e-10 -2.215885907559124e-09 4.987202554486277e-09 ] [ -2.589126733168477e-09 1.006138567625578e-09 -2.348117069951739e-09 ] [ -7.333425210785976e-10 1.627512974637086e-09 -4.433444167088819e-09 ] [ 3.876501613848948e-10 3.685345919646408e-10 2.275496972056719e-09 ] [ 6.326135158813541e-10 -7.247868978530375e-10 4.527174384095759e-10 ] [ 2.362055045361559e-09 -1.343803221294624e-10 2.7579868577676e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -19.636490005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.146112546101208e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0853934 1.6838983 2.6006606 ] [ 2.6948675 1.7725785 4.8375406 ] [ 1.5222226 3.9226444 2.8326604 ] [ 4.2374407 2.0616515 1.7470467 ] [ 4.902206 2.1976705 3.9800439 ] [ 3.7400298 4.3285392 1.9930678 ] [ 3.3913401 4.0329597 4.3559869 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0853934e-10 1.6838983e-10 2.6006606e-10 ] [ 2.6948675e-10 1.7725785e-10 4.8375406e-10 ] [ 1.5222226e-10 3.9226444e-10 2.8326604e-10 ] [ 4.2374407e-10 2.0616515e-10 1.7470467e-10 ] [ 4.902206e-10 2.1976705e-10 3.9800439e-10 ] [ 3.7400298e-10 4.3285392e-10 1.9930678e-10 ] [ 3.3913401e-10 4.0329597e-10 4.355986900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.45e-05 6.31e-05 1.12e-05 ] [ -1e-07 -6.1e-06 -8.7e-06 ] [ -7e-06 -3.41e-05 -2.8e-06 ] [ -1.02e-05 -1.47e-05 -7.11e-05 ] [ 1.2e-05 -2.17e-05 6.53e-05 ] [ -1.66e-05 -1.02e-05 -1.77e-05 ] [ -2.5e-06 2.37e-05 2.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.925332753299999e-14 1.010973456054e-13 1.79443783008e-14 ] [ -1.602176634e-16 -9.773277467399999e-15 -1.39389367158e-14 ] [ -1.1215236438e-14 -5.46342232194e-14 -4.486094575199999e-15 ] [ -1.63422016668e-14 -2.35519965198e-14 -1.139147586774e-13 ] [ 1.9226119608e-14 -3.476723295779999e-14 1.046221342002e-13 ] [ -2.65961321244e-14 -1.63422016668e-14 -2.83585264218e-14 ] [ -4.005441585e-15 3.79715862258e-14 3.79715862258e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }