{ "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" [ [ -11.5846196 -5.9202739 -5.5828845 ] [ -1.3113511 -6.2788591 -1.8814813 ] [ 4.2379388 -4.5906488 0.2591372 ] [ -3.9471623 3.270963 -6.818037 ] [ 25.2527489 -5.9144532 -0.7772744 ] [ -16.0765074 25.7154502 -9.6759369 ] [ 3.4289528 -6.2821782 24.476477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.856060683689843e-08 -9.48532450946005e-09 -8.944767096220772e-09 ] [ -2.101016091390197e-09 -1.005984133819827e-08 -3.014465376167944e-09 ] [ 6.789926521681999e-09 -7.35503024226014e-09 4.151835668401848e-10 ] [ -6.324051207665698e-09 5.240660489278541e-09 -1.092369957114746e-08 ] [ 4.04593642318492e-08 -9.475998719926527e-09 -1.24533088188637e-09 ] [ -2.575740451260809e-08 4.120069344323062e-08 -1.550256001323839e-08 ] [ 5.493788055248874e-09 -1.006515912266418e-08 3.921563953203841e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6407184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.544613375545387e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7954225 2.159938 3.1154475 ] [ 3.1467207 1.6635081 1.0295457 ] [ 4.2864744 1.273334 3.259378 ] [ 3.9801123 3.982444 0.8901602 ] [ 5.4973613 3.4432196 2.760621 ] [ 2.281053 4.5879565 2.5747928 ] [ 3.6160197 3.5383498 4.45618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7954225e-10 2.159938e-10 3.1154475e-10 ] [ 3.1467207e-10 1.6635081e-10 1.0295457e-10 ] [ 4.2864744e-10 1.273334e-10 3.259378e-10 ] [ 3.9801123e-10 3.982444e-10 8.901602e-11 ] [ 5.4973613e-10 3.4432196e-10 2.760621e-10 ] [ 2.281053e-10 4.5879565e-10 2.5747928e-10 ] [ 3.6160197e-10 3.5383498e-10 4.45618e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 -5.1e-06 2.6e-06 ] [ -3.8e-06 2.79e-05 1.84e-05 ] [ 1.6e-06 -3.51e-05 7.8e-06 ] [ -5.4e-06 -3.5e-06 -1e-07 ] [ 1.22e-05 3.15e-05 -2.48e-05 ] [ 3.31e-05 -1.23e-05 -1.04e-05 ] [ -2.88e-05 -3.3e-06 6.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.42593720426e-14 -8.1711008334e-15 4.165659248399999e-15 ] [ -6.088271209199999e-15 4.470072808859999e-14 2.94800500656e-14 ] [ 2.5634826144e-15 -5.62363998534e-14 1.24969777452e-14 ] [ -8.6517538236e-15 -5.607618218999999e-15 -1.602176634e-16 ] [ 1.95465549348e-14 5.046856397099999e-14 -3.97339805232e-14 ] [ 5.303204658539999e-14 -1.97067725982e-14 -1.66626369936e-14 ] [ -4.614268705919999e-14 -5.2871828922e-15 1.05743657844e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }