{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.40723 -7.0136952 -8.4104941 ] [ -38.141845 4.4775493 6.5810607 ] [ -27.379272 -16.3964698 14.8184181 ] [ -1.0661595 0.1411968 0.7265866 ] [ 23.5848003 -6.2679166 -4.7645018 ] [ 32.2824635 8.6750745 -16.762746 ] [ 10.3127828 16.384261 7.8116765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.52454385288384e-10 -1.123717847485718e-08 -1.347509701639634e-08 ] [ -6.110997233317738e-08 7.173824806939405e-09 1.054402159360568e-08 ] [ -4.386642949292406e-08 -2.627004057721325e-08 2.374172303705956e-08 ] [ -1.708175824943817e-09 2.262222118917735e-10 1.164120063506561e-09 ] [ 3.778701564689683e-08 -1.004230943764423e-08 -7.633573393719517e-09 ] [ 5.172220828152934e-08 1.389900154759825e-08 -2.685687974160872e-08 ] [ 1.652289949754836e-08 2.625047992328523e-08 1.251568545755277e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.034533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.767927079404609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0096879 2.5619749 0.9522302 ] [ 1.6497928 5.0166847 1.839418 ] [ 2.1422544 2.9363585 3.5569375 ] [ 4.5140401 3.0485192 0.8234847 ] [ 4.7645608 2.7828025 3.3516673 ] [ 4.1073083 5.5592945 1.0593963 ] [ 3.7139248 5.1821445 3.6372302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0096879e-10 2.5619749e-10 9.522302000000001e-11 ] [ 1.6497928e-10 5.0166847e-10 1.839418e-10 ] [ 2.1422544e-10 2.9363585e-10 3.5569375e-10 ] [ 4.5140401e-10 3.0485192e-10 8.234847e-11 ] [ 4.7645608e-10 2.7828025e-10 3.3516673e-10 ] [ 4.1073083e-10 5.5592945e-10 1.0593963e-10 ] [ 3.7139248e-10 5.1821445e-10 3.6372302e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 2.29e-05 3.56e-05 ] [ 4.23e-05 -1.53e-05 -1.1e-05 ] [ -1.66e-05 1.8e-06 -3.61e-05 ] [ -1.43e-05 2.8e-06 -4e-06 ] [ 1.67e-05 2.6e-06 1.13e-05 ] [ -3.51e-05 -8.1e-06 1.89e-05 ] [ 1e-06 -6.7e-06 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 3.668984461632e-14 5.703748770048e-14 ] [ 6.777207105984e-14 -2.451330229824e-14 -1.76239428288e-14 ] [ -2.659613190528e-14 2.88391791744e-15 -5.783857601088001e-14 ] [ -2.291112567744e-14 4.48609453824e-15 -6.4087064832e-15 ] [ 2.675634956736e-14 4.16565921408e-15 1.810459581504e-14 ] [ -5.623639939008e-14 -1.297763062848e-14 3.028113813312e-14 ] [ 1.6021766208e-15 -1.073458335936e-14 -2.355199632576e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.793262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.972318472976905e-18 } }