{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9192407 0.3679632 0.2084149 ] [ 0.7009294 0.9640354 2.373703 ] [ 0.5234459 2.737555 0.0024849 ] [ 2.754814 0.6958427 0.7664459 ] [ 2.641472 1.152124 2.712512 ] [ 2.849889 2.552424 1.475764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.192407e-11 3.679632e-11 2.084149e-11 ] [ 7.009294e-11 9.640354e-11 2.373703e-10 ] [ 5.234459e-11 2.737555e-10 2.4849e-13 ] [ 2.754814e-10 6.958427e-11 7.664459e-11 ] [ 2.641472e-10 1.152124e-10 2.712512e-10 ] [ 2.849889e-10 2.552424e-10 1.475764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.6254279 -0.9697469 -2.4751546 ] [ -8.7877849 2.5307728 -5.796741 ] [ 3.0092524 -3.4412315 4.7223091 ] [ 9.3656956 -7.06276 -6.7035522 ] [ 7.8959687 -9.5287814 18.6659051 ] [ -1.8577039 18.471747 -8.4127664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.542163554657604e-08 -1.553705811273276e-09 -3.965634832985576e-09 ] [ -1.407958351539927e-08 4.054745012716554e-09 -9.287402907032812e-09 ] [ 4.821353841366289e-09 -5.513460656060516e-09 7.56597323621109e-09 ] [ 1.500549852784943e-08 -1.131578895032141e-08 -1.074027461115241e-08 ] [ 1.265073644970857e-08 -1.526679078379389e-08 2.990607675729149e-08 ] [ -2.976369756948981e-09 2.959500118873254e-08 -1.347873764233178e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.389425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.465657694255504e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8749243 0.1700641 0.4266147 ] [ 0.3491367 1.415369 2.2827097 ] [ 0.77393 2.4594504 0.282267 ] [ 3.1035736 0.7856253 0.425794 ] [ 2.5576136 0.841327 2.6554021 ] [ 2.7306127 2.7981085 1.4665371 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.749243000000001e-11 1.700641e-11 4.266147e-11 ] [ 3.491367e-11 1.415369e-10 2.2827097e-10 ] [ 7.7393e-11 2.4594504e-10 2.82267e-11 ] [ 3.1035736e-10 7.856253e-11 4.25794e-11 ] [ 2.5576136e-10 8.41327e-11 2.6554021e-10 ] [ 2.7306127e-10 2.7981085e-10 1.4665371e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.28e-05 -1e-07 0.0 ] [ 1.63e-05 6.3e-06 1.8e-06 ] [ -4.9e-06 4.6e-06 -3.1e-06 ] [ -1.13e-05 1.8e-05 1.5e-05 ] [ -8.7e-06 -1.27e-05 1.3e-06 ] [ -4.3e-06 -1.61e-05 -1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.050786074624e-14 -1.6021766208e-16 0.0 ] [ 2.611547891904e-14 1.009371271104e-14 2.88391791744e-15 ] [ -7.850665441919999e-15 7.370012455680001e-15 -4.96674752448e-15 ] [ -1.810459581504e-14 2.88391791744e-14 2.4032649312e-14 ] [ -1.393893660096e-14 -2.034764308416e-14 2.08282960704e-15 ] [ -6.889359469440001e-15 -2.579504359488e-14 -2.387243164992e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.861634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.143490537048639e-18 } }