{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5859427 -5.199023 7.651297 ] [ -1.6311614 4.6229889 -1.342796 ] [ -7.5051564 1.8002719 -5.3070085 ] [ -0.0937311 6.407193 2.1588879 ] [ 7.0631515 -4.9255371 -5.6688523 ] [ 1.9429688 -1.8321443 2.1268133 ] [ 3.8098713 -0.8737494 0.3816587 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.745313557468428e-09 -8.32975310160148e-09 1.225872917219718e-08 ] [ -2.613408659831398e-09 7.40684473379791e-09 -2.151396357703757e-09 ] [ -1.202458611952749e-08 2.884353549263196e-09 -8.502764945086877e-09 ] [ -1.501737770618669e-10 1.026545482955341e-08 3.458919720308008e-09 ] [ 1.131641620246845e-08 -7.89158038650303e-09 -9.082502621828308e-09 ] [ 3.112979186303831e-09 -2.935418763391982e-09 3.407530546066496e-09 ] [ 6.104086725116904e-09 -1.399900861118028e-09 6.11484646264921e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.115372 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.941096577069494e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3395626 2.9686063 3.8693841 ] [ 2.9041332 5.6180801 0.9609171 ] [ 1.0039262 3.8404539 1.5033478 ] [ 2.1030044 5.3973854 3.3745967 ] [ 3.3091329 2.9817851 0.8213733 ] [ 5.1633292 4.6277984 1.5824313 ] [ 3.8113107 3.3964238 3.3705027 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3395626e-10 2.9686063e-10 3.8693841e-10 ] [ 2.9041332e-10 5.618080100000001e-10 9.609171e-11 ] [ 1.0039262e-10 3.8404539e-10 1.5033478e-10 ] [ 2.1030044e-10 5.3973854e-10 3.3745967e-10 ] [ 3.3091329e-10 2.9817851e-10 8.213733e-11 ] [ 5.1633292e-10 4.6277984e-10 1.5824313e-10 ] [ 3.8113107e-10 3.3964238e-10 3.3705027e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.52e-05 2.25e-05 5.2e-06 ] [ 1.8e-05 2.46e-05 -1.06e-05 ] [ -3.1e-06 -8.1e-06 6.5e-06 ] [ -1.63e-05 -4.44e-05 -6.9e-06 ] [ -2.6e-06 1.36e-05 9.4e-06 ] [ -6e-07 -1.37e-05 -2.1e-06 ] [ -2.06e-05 5.6e-06 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.037485084416e-14 3.604897396800001e-14 8.33131842816e-15 ] [ 2.88391791744e-14 3.941354487168e-14 -1.698307218048e-14 ] [ -4.96674752448e-15 -1.297763062848e-14 1.04141480352e-14 ] [ -2.611547891904e-14 -7.113664196352e-14 -1.105501868352e-14 ] [ -4.16565921408e-15 2.178960204288e-14 1.506046023552e-14 ] [ -9.6130597248e-16 -2.194981970496e-14 -3.36457090368e-15 ] [ -3.300483838848e-14 8.972189076479999e-15 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.515581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.646087775712869e-18 } }