{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9997932 -9.5951914 -1.6956606 ] [ -6.4172004 2.5398481 3.3424032 ] [ -14.3222122 4.145608 6.7017789 ] [ -5.8781042 -13.2386599 -11.5327677 ] [ 5.4896603 4.0361267 9.6558121 ] [ 14.359857 15.3017262 -13.7415465 ] [ 9.7677927 -3.1894577 7.2699805 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.806198532274819e-09 -1.537319133318122e-08 -2.716747770131701e-09 ] [ -1.028148845186841e-08 4.0692852462033e-09 5.355120264327107e-09 ] [ -2.294671354497653e-08 6.641996216601447e-09 1.073743347135074e-08 ] [ -9.417761123866288e-09 -2.121067138250246e-08 -1.847753078205739e-08 ] [ 8.795405388793915e-09 6.466587837326654e-09 1.547031640145775e-08 ] [ 2.300702716343123e-08 2.451606797552282e-08 -2.201638453593607e-08 ] [ 1.564972910076091e-08 -5.11007455997054e-09 1.164779279077189e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.182714 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.112103616949285e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5437378 0.6785356 3.67778 ] [ 1.4421858 3.0771623 4.2651004 ] [ 1.6202509 4.8630853 2.424312 ] [ 3.0036154 2.5941204 1.9448369 ] [ 3.7796275 2.4079655 5.240998 ] [ 4.163204 5.1333388 2.168413 ] [ 5.2218635 3.0717668 3.2848817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5437378e-10 6.785356e-11 3.67778e-10 ] [ 1.4421858e-10 3.0771623e-10 4.2651004e-10 ] [ 1.6202509e-10 4.8630853e-10 2.424312e-10 ] [ 3.0036154e-10 2.5941204e-10 1.9448369e-10 ] [ 3.7796275e-10 2.4079655e-10 5.240998e-10 ] [ 4.163204e-10 5.1333388e-10 2.168413e-10 ] [ 5.221863500000001e-10 3.0717668e-10 3.2848817e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.74e-05 -3.11e-05 1.09e-05 ] [ -3.11e-05 -9.1e-06 9.6e-06 ] [ 3.6e-05 -4.5e-06 2.8e-05 ] [ 1.33e-05 3.59e-05 -6.1e-06 ] [ -2.02e-05 1.74e-05 -6.4e-06 ] [ 7e-07 -2e-06 -2.93e-05 ] [ -1.61e-05 -6.6e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.787787320192e-14 -4.982769290688e-14 1.746372516672e-14 ] [ -4.982769290688e-14 -1.457980724928e-14 1.538089555968e-14 ] [ 5.76783583488e-14 -7.2097947936e-15 4.48609453824e-14 ] [ 2.130894905664e-14 5.751814068672e-14 -9.77327738688e-15 ] [ -3.236396774016e-14 2.787787320192e-14 -1.025393037312e-14 ] [ 1.12152363456e-15 -3.2043532416e-15 -4.694377498944e-14 ] [ -2.579504359488e-14 -1.057436569728e-14 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.496311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.764524015924587e-18 } }