{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2132315 -6.8786432 7.4539271 ] [ -0.3552079 7.0426295 -7.5685406 ] [ -3.2524935 -1.3568104 0.5369815 ] [ -7.2291478 3.4059135 -2.0900977 ] [ 0.9092272 -8.3392198 5.8325159 ] [ 3.5433331 -6.01206 -9.951328 ] [ 6.5975204 12.1381903 5.7865417 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.416345241181152e-10 -1.10208013178649e-08 1.194250773276754e-08 ] [ -5.691057929034644e-10 1.128353633385639e-08 -1.212613880289561e-08 ] [ -5.211069045003965e-09 -2.173849901738296e-09 8.603392051021153e-10 ] [ -1.158237159346775e-08 5.456874982167101e-09 -3.348705670127852e-09 ] [ 1.456742562835446e-09 -1.336090299927245e-08 9.34472061542427e-09 ] [ 5.677045452526788e-09 -9.632381974846848e-09 -1.594378506751242e-08 ] [ 1.057039294013107e-08 1.944752471748134e-08 9.271061827024287e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4046373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.186353676756364e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7142983 2.2299358 0.5176764 ] [ 1.0389567 1.5642926 2.4942527 ] [ 1.3472524 2.9302913 4.2252098 ] [ 1.7242944 5.0557236 3.7710589 ] [ 3.4434897 2.1636703 4.2247025 ] [ 4.7271144 3.3244117 2.8541911 ] [ 3.7551821 5.3021877 2.8905019 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7142983e-10 2.2299358e-10 5.176764000000001e-11 ] [ 1.0389567e-10 1.5642926e-10 2.4942527e-10 ] [ 1.3472524e-10 2.9302913e-10 4.2252098e-10 ] [ 1.7242944e-10 5.0557236e-10 3.7710589e-10 ] [ 3.4434897e-10 2.1636703e-10 4.2247025e-10 ] [ 4.7271144e-10 3.3244117e-10 2.8541911e-10 ] [ 3.7551821e-10 5.302187700000001e-10 2.8905019e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0043566 -0.2194305 -0.5674168 ] [ -0.2774979 0.6378217 0.8460648 ] [ -0.1464953 -1.5213748 -0.4328148 ] [ 1.9125159 1.2279912 -0.796299 ] [ 0.0251041 -0.2557761 0.1722647 ] [ 0.5961606 -0.3317336 0.138283 ] [ -2.114144 0.4625022 0.639918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.98004266617728e-12 -3.515664169904544e-10 -9.091019312091496e-10 ] [ -4.446006477010964e-10 1.021903015978911e-09 1.355545242241828e-09 ] [ -2.347113447170822e-10 -2.437511136034276e-09 -6.934457536962278e-10 ] [ 3.064188261888271e-09 1.967458791188137e-09 -1.275811640966419e-09 ] [ 4.022120210622528e-11 -4.097984875794029e-10 2.759984749291258e-10 ] [ 9.551545755621006e-10 -5.314958182538189e-10 2.215537896540864e-10 ] [ -3.387232089804595e-09 7.410102119085657e-10 1.025261658829094e-09 ] ] } "relaxed-potential-energy" { "source-value" -15.12296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.422965294929357e-18 } }