{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -34.3911823 -14.5402766 0.7113012 ] [ 0.6609321 -15.8779208 -16.6707267 ] [ 9.9597784 -21.7294254 10.342254 ] [ -3.5083518 8.1200437 -19.0226547 ] [ 39.9053766 9.9543608 -7.1692361 ] [ -9.7209266 30.5710619 2.598916 ] [ -2.9056266 3.5021564 29.2101463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.510074824273077e-08 -2.329609122848532e-08 1.139630152986985e-09 ] [ 1.058929958556248e-09 -2.543923349267403e-08 -2.670944857048633e-08 ] [ 1.595732410082883e-08 -3.481437735929769e-08 1.657011756517529e-08 ] [ -5.620999231501597e-09 1.300974417601433e-08 -3.047765262589124e-08 ] [ 6.393546143273939e-08 1.594864414876798e-08 -1.148638246841537e-08 ] [ -1.557464133103283e-08 4.898024064920963e-08 4.163922454623053e-09 ] [ -4.655327007294593e-09 5.611073106465093e-09 4.679981349200762e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.048159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.051851501908111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.61511 1.7341697 3.253712 ] [ 3.0984843 1.5958793 1.4168443 ] [ 5.238228 1.3593517 2.3962234 ] [ 3.1619353 3.8480001 0.7006132 ] [ 5.6796469 3.4900885 3.3297596 ] [ 3.7532065 4.7563977 2.8016351 ] [ 2.056553 3.864863 4.1873376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.61511e-10 1.7341697e-10 3.253712e-10 ] [ 3.0984843e-10 1.5958793e-10 1.4168443e-10 ] [ 5.238228e-10 1.3593517e-10 2.3962234e-10 ] [ 3.1619353e-10 3.8480001e-10 7.006132e-11 ] [ 5.6796469e-10 3.4900885e-10 3.3297596e-10 ] [ 3.7532065e-10 4.7563977e-10 2.8016351e-10 ] [ 2.056553e-10 3.864863e-10 4.187337600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-05 9.6e-06 4.37e-05 ] [ 1.2e-06 -1.63e-05 -2.1e-06 ] [ -8e-06 2.13e-05 -1.29e-05 ] [ 3.14e-05 3.26e-05 -1.13e-05 ] [ -3.61e-05 -1.04e-05 -8.7e-06 ] [ -9.3e-06 -4.88e-05 1.52e-05 ] [ -7.2e-06 1.2e-05 -2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-14 1.538089555968e-14 7.001511832895999e-14 ] [ 1.92261194496e-15 -2.611547891904e-14 -3.36457090368e-15 ] [ -1.28174129664e-14 3.412636202304e-14 -2.066807840832e-14 ] [ 5.030834589312e-14 5.223095783807999e-14 -1.810459581504e-14 ] [ -5.783857601088001e-14 -1.666263685632e-14 -1.393893660096e-14 ] [ -1.490024257344e-14 -7.818621909504e-14 2.435308463616e-14 ] [ -1.153567166976e-14 1.92261194496e-14 -3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }