{ "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" [ [ 1.966123056539376e-09 1.677523142052334e-09 -6.625735726076947e-10 ] [ 7.556372833681594e-10 -8.059374581605133e-10 6.444689767926548e-10 ] [ -2.64621034222436e-09 1.20219707264117e-09 9.217141053504249e-10 ] [ -8.596028447271955e-10 -1.664662470317173e-09 -2.174831234918537e-09 ] [ 1.029848370059121e-09 -8.935180398716141e-10 1.677943232762308e-09 ] [ -6.400056331624301e-10 8.415203589495225e-10 1.94983580966531e-09 ] [ 3.942101101473293e-10 -3.571226052937267e-10 -2.356557477262128e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.15325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.38912426039376e-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" [ [ -4.32587687616e-14 2.24304726912e-15 2.467351996032e-14 ] [ -4.854595161024e-14 2.579504359488e-14 -1.52206778976e-14 ] [ -4.454051005824e-14 -2.355199632576e-14 -7.370012455680001e-15 ] [ 1.826481347712e-14 -2.64359142432e-14 -1.714328984256e-14 ] [ 4.16565921408e-15 -3.84522388992e-14 4.438029239616e-14 ] [ 5.078899887936e-14 3.620919163008e-14 -2.659613190528e-14 ] [ 6.296554119743999e-14 2.435308463616e-14 -2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }