{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2271575 1.0470276 -0.4135459 ] [ 0.4716317 -0.5030266 0.4022459 ] [ -1.6516346 0.7503524 0.5752887 ] [ -0.5365219 -1.0390006 -1.3574229 ] [ 0.6427808 -0.5576901 1.0472898 ] [ -0.3994601 0.5252357 1.2169918 ] [ 0.2460466 -0.2228984 -1.4708475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.966123072737855e-09 1.677523155873098e-09 -6.625735780665005e-10 ] [ 7.556372895936978e-10 -8.059374648004644e-10 6.444689821023005e-10 ] [ -2.646210364025936e-09 1.202197082545821e-09 9.217141129442357e-10 ] [ -8.596028518092845e-10 -1.66466248403198e-09 -2.174831252836518e-09 ] [ 1.029848378543827e-09 -8.935180472331233e-10 1.677943246586533e-09 ] [ -6.400056384353034e-10 8.415203658826336e-10 1.949835825729601e-09 ] [ 3.942101133951444e-10 -3.571226082359855e-10 -2.356557496677315e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.15325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.38912428831605e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7297398 1.8078032 2.847882 ] [ 1.8888995 3.7894778 1.4498042 ] [ 2.0161202 4.0351295 3.7774017 ] [ 3.7627846 1.3224576 1.6076566 ] [ 3.8900784 1.5680086 3.9352597 ] [ 4.2002885 3.5877032 1.337132 ] [ 4.328327 3.8348621 3.6798159 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7297398e-10 1.8078032e-10 2.847882e-10 ] [ 1.8888995e-10 3.7894778e-10 1.4498042e-10 ] [ 2.0161202e-10 4.0351295e-10 3.7774017e-10 ] [ 3.7627846e-10 1.3224576e-10 1.6076566e-10 ] [ 3.8900784e-10 1.5680086e-10 3.9352597e-10 ] [ 4.2002885e-10 3.5877032e-10 1.337132e-10 ] [ 4.328327e-10 3.8348621e-10 3.6798159e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-05 1.4e-06 1.54e-05 ] [ -3.03e-05 1.61e-05 -9.5e-06 ] [ -2.78e-05 -1.47e-05 -4.6e-06 ] [ 1.14e-05 -1.65e-05 -1.07e-05 ] [ 2.6e-06 -2.4e-05 2.77e-05 ] [ 3.17e-05 2.26e-05 -1.66e-05 ] [ 3.93e-05 1.52e-05 -1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.325876911799999e-14 2.2430472876e-15 2.46735201636e-14 ] [ -4.854595201019999e-14 2.579504380739999e-14 -1.5220678023e-14 ] [ -4.454051042519999e-14 -2.35519965198e-14 -7.370012516399999e-15 ] [ 1.82648136276e-14 -2.6435914461e-14 -1.71432899838e-14 ] [ 4.165659248399999e-15 -3.8452239216e-14 4.438029276179999e-14 ] [ 5.078899929779999e-14 3.62091919284e-14 -2.65961321244e-14 ] [ 6.29655417162e-14 2.43530848368e-14 -2.5634826144e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }