{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.2367789 -50.8875038 23.8450037 ] [ -22.9442773 54.4508613 -9.117725 ] [ 1.932815 -3.111376 16.7248034 ] [ 16.4962342 -5.0126401 -59.6885456 ] [ 37.752007 4.5606586 28.2364634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.325119010427873e-08 -8.153076887923115e-08 3.82039074510295e-08 ] [ -3.676078467121215e-08 8.72398969572835e-08 -1.460820582988368e-08 ] [ 3.096711005331552e-09 -4.98497388571822e-09 2.679608899495635e-08 ] [ 2.642988076648139e-08 -8.031134776704573e-09 -9.563159228987471e-08 ] [ 6.048538300367795e-08 7.306980584370459e-09 4.523980151355488e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.4047816 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.026159134085002e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6274199 0.6764247 1.9712991 ] [ 2.2405768 3.3322096 1.6498907 ] [ 2.8580515 1.916278 3.9184243 ] [ 3.5659587 1.3193782 0.3367768 ] [ 4.7965631 2.5592865 2.2838913 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6274199e-10 6.764247e-11 1.9712991e-10 ] [ 2.2405768e-10 3.3322096e-10 1.6498907e-10 ] [ 2.8580515e-10 1.916278e-10 3.9184243e-10 ] [ 3.5659587e-10 1.3193782e-10 3.367768e-11 ] [ 4.796563100000001e-10 2.5592865e-10 2.2838913e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.37e-05 3.26e-05 -3e-07 ] [ 8.6e-06 -2.89e-05 -5.2e-06 ] [ -8.2e-06 -3.4e-06 2.4e-05 ] [ 2.08e-05 2.89e-05 2.8e-05 ] [ -4.49e-05 -2.92e-05 -4.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.797158591296e-14 5.223095783807999e-14 -4.8065298624e-16 ] [ 1.377871893888e-14 -4.630290434112001e-14 -8.33131842816e-15 ] [ -1.313784829056e-14 -5.44740051072e-15 3.84522388992e-14 ] [ 3.332527371264e-14 4.630290434112001e-14 4.48609453824e-14 ] [ -7.193773027392e-14 -4.678355732736e-14 -7.434099520512001e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.806069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.692629083935164e-18 } }