{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.4908114 -13.387423 -5.8389514 ] [ 0.0 0.0 0.0 ] [ 11.5224232 -22.4344009 11.3951131 ] [ 13.2332011 25.596869 -21.1237432 ] [ -9.264813 10.2249549 15.5675815 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.481901586230212e-08 -2.14490161433602e-08 -9.355031423067429e-09 ] [ 0.0 0.0 0.0 ] [ 1.846095706600352e-08 -3.594387262363448e-08 1.825698380019181e-08 ] [ 2.120192542076484e-08 4.101070507748028e-08 -3.384396749882298e-08 ] [ -1.484386678468391e-08 1.63821836895144e-08 2.494201512169859e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.2999116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.491394457826721e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1751793 -1.3319738 0.1245557 ] [ 0.032965 0.0756626 2.808384 ] [ 2.3124562 0.4716602 0.6678723 ] [ 2.6201363 2.5118462 1.4374559 ] [ 2.0602292 4.4512166 2.3105843 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1751793e-10 -1.3319738e-10 1.245557e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.3124562e-10 4.716602e-11 6.678723e-11 ] [ 2.6201363e-10 2.5118462e-10 1.4374559e-10 ] [ 2.0602292e-10 4.451216600000001e-10 2.3105843e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0210654 -0.0298346 -0.0153028 ] [ 0.0 0.0 0.0 ] [ -0.0037445 0.1539901 0.0620967 ] [ -0.0275521 -0.2120625 -0.0804562 ] [ 0.0102313 0.087907 0.0336622 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.375049138780033e-11 -4.780029861091968e-11 -2.451778839277824e-11 ] [ 0.0 0.0 0.0 ] [ -5.9993503565856e-12 2.467193380546541e-10 9.948988096883136e-11 ] [ -4.414333047394368e-11 -3.397615796484e-10 -1.28905042638409e-10 ] [ 1.639234966039104e-11 1.408425402046656e-10 5.393278984469377e-11 ] ] } "relaxed-potential-energy" { "source-value" -8.4018129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.346118820071585e-18 } }