{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9208931 -2.1765206 -1.6106585 ] [ -0.3813072 -3.5198972 -2.1747916 ] [ -6.2143586 2.3852535 3.1129529 ] [ 18.0905508 -27.4032943 -16.9206839 ] [ -1.4934489 -1.3300111 21.9527352 ] [ -5.4487677 28.4914571 3.1039237 ] [ -3.6317754 3.5530127 -7.4634778 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.475433395076037e-09 -3.487170420009589e-09 -2.580559392792797e-09 ] [ -6.109214811827098e-10 -5.639497001459382e-09 -3.484400256632225e-09 ] [ -9.956500062187419e-09 3.821597392381373e-09 4.987500358031561e-09 ] [ 2.898425754915474e-08 -4.39049174603619e-08 -2.710992415252696e-08 ] [ -2.392768911939477e-09 -2.130912689824491e-09 3.517215910005321e-08 ] [ -8.729888221110189e-09 4.564834645814617e-08 4.973033984887033e-09 ] [ -5.818745637876569e-09 5.692553881345484e-09 -1.195780964101982e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.7228774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.96470713238469e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9262576 1.5909688 0.4003955 ] [ 3.0686895 1.0144935 2.5230647 ] [ 2.64731 3.069511 3.7532695 ] [ 5.4029143 1.8080156 1.9412274 ] [ 3.8432086 2.8415322 5.8105098 ] [ 4.2303804 4.0403892 2.1831433 ] [ 2.8388696 3.9679965 0.1333496 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9262576e-10 1.5909688e-10 4.003955e-11 ] [ 3.0686895e-10 1.0144935e-10 2.5230647e-10 ] [ 2.64731e-10 3.069511e-10 3.7532695e-10 ] [ 5.402914300000001e-10 1.8080156e-10 1.9412274e-10 ] [ 3.8432086e-10 2.8415322e-10 5.8105098e-10 ] [ 4.2303804e-10 4.0403892e-10 2.1831433e-10 ] [ 2.8388696e-10 3.9679965e-10 1.333496e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.66e-05 9.4e-06 3.27e-05 ] [ -1.24e-05 6.14e-05 3.2e-05 ] [ 8.6e-06 -6.05e-05 -1.5e-06 ] [ 7.9e-06 3.07e-05 -1.38e-05 ] [ -4.94e-05 -4.6e-06 -1.51e-05 ] [ 4.03e-05 -4.36e-05 -7.53e-05 ] [ -1.17e-05 7.2e-06 4.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.659613190528e-14 1.506046023552e-14 5.239117550016001e-14 ] [ -1.986699009792e-14 9.837364451712e-14 5.12696518656e-14 ] [ 1.377871893888e-14 -9.69316855584e-14 -2.4032649312e-15 ] [ 1.265719530432e-14 4.918682225856e-14 -2.211003736704e-14 ] [ -7.914752506752001e-14 -7.370012455680001e-15 -2.419286697408e-14 ] [ 6.456771781824e-14 -6.985490066688e-14 -1.2064389954624e-13 ] [ -1.874546646336e-14 1.153567166976e-14 6.552902379072e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.454083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.277105358250273e-18 } }