{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -34.2662068 -2.0720876 -19.9990381 ] [ -50.9522092 -41.5171531 61.8683682 ] [ 4.6605597 -20.9380357 -27.2769472 ] [ -56.8510107 50.7647137 -127.4001433 ] [ 137.408867 13.7625627 112.8077604 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.49005158707719e-08 -3.319850336321138e-09 -3.204199154629575e-08 ] [ -8.163443903091982e-08 -6.651781260702066e-08 9.912405391374863e-08 ] [ 7.46703985270205e-09 -3.354643156039783e-08 -4.370248745069172e-08 ] [ -9.108536096282397e-08 8.133403812183968e-08 -2.041175327635116e-07 ] [ 2.201532760118136e-07 2.205005638189995e-08 1.807379578467505e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 55.236629 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.849883632472677e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2167812 1.0176713 0.7847357 ] [ 1.0135934 1.1673769 3.1806101 ] [ 2.6257881 0.3160831 -0.0132171 ] [ 1.8482473 2.9605093 0.0804275 ] [ 3.1777709 1.8431639 2.0593743 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.167812e-11 1.0176713e-10 7.847357000000001e-11 ] [ 1.0135934e-10 1.1673769e-10 3.1806101e-10 ] [ 2.6257881e-10 3.160831e-11 -1.32171e-12 ] [ 1.8482473e-10 2.9605093e-10 8.04275e-12 ] [ 3.1777709e-10 1.8431639e-10 2.0593743e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.34e-05 5.28e-05 -2.8e-06 ] [ 1.5e-06 -6.11e-05 -7.6e-06 ] [ 1.62e-05 -6.08e-05 4.34e-05 ] [ -1.91e-05 3.43e-05 -1.68e-05 ] [ 1.48e-05 3.48e-05 -1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.14691668956e-14 8.45949262752e-14 -4.486094575199999e-15 ] [ 2.403264951e-15 -9.789299233739998e-14 -1.21765424184e-14 ] [ 2.59552614708e-14 -9.741233934719999e-14 6.953446591559999e-14 ] [ -3.06015737094e-14 5.49546585462e-14 -2.691656745119999e-14 ] [ 2.37122141832e-14 5.575574686319999e-14 -2.59552614708e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.87929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.544142740250986e-18 } }