{ "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" [ [ 0.0587563 2.624587 0.4359975 ] [ 0.6130103 1.606213 2.369845 ] [ 2.872214 1.39186 0.7464612 ] [ 1.941337 0.0175427 2.118778 ] [ 2.055015 2.698548 0.547582 ] [ 2.796139 2.772611 2.055467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.87563e-12 2.624587e-10 4.359975e-11 ] [ 6.130103e-11 1.606213e-10 2.369845e-10 ] [ 2.872214e-10 1.39186e-10 7.464612e-11 ] [ 1.941337e-10 1.75427e-12 2.118778e-10 ] [ 2.055015e-10 2.698548e-10 5.47582e-11 ] [ 2.796139e-10 2.772611e-10 2.055467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.965749 -0.6427488 -0.7226405 ] [ -1.9525612 2.8674241 1.7400866 ] [ 19.2292716 -36.0235594 -4.262995 ] [ 1.8124646 -3.6402405 1.1458287 ] [ -21.1311092 30.6148704 -25.6080807 ] [ 8.0076832 6.8242542 27.707801 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.55818357336098e-09 -1.029797100407255e-09 -1.157797714343222e-09 ] [ -3.128347905321193e-09 4.594119854938481e-09 2.787926068687361e-09 ] [ 3.080868939253341e-08 -5.771610466868009e-08 -6.830070923587297e-09 ] [ 2.903888408147623e-09 -5.832308223189302e-09 1.835819954581657e-09 ] [ -3.38557691318118e-08 4.905042960370194e-08 -4.10286682010997e-08 ] [ 1.282972280981293e-08 1.093366053363621e-08 4.439279097597886e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.2662765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.630975224568451e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0974783 2.1279751 -0.0862142 ] [ 0.7391716 1.9325051 2.234201 ] [ 2.2534123 1.1577062 0.4085872 ] [ 2.227978 0.0584409 2.559234 ] [ 1.8606292 3.5473945 0.7738096 ] [ 3.1578022 2.2873399 2.3845132 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.747830000000001e-12 2.1279751e-10 -8.62142e-12 ] [ 7.391716e-11 1.9325051e-10 2.234201e-10 ] [ 2.2534123e-10 1.1577062e-10 4.085872e-11 ] [ 2.227978e-10 5.84409e-12 2.559234e-10 ] [ 1.8606292e-10 3.5473945e-10 7.738096000000001e-11 ] [ 3.1578022e-10 2.2873399e-10 2.3845132e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.5e-06 6.8e-06 -1.8e-06 ] [ 1.21e-05 -2.9e-06 -8.4e-06 ] [ 1.7e-06 -3.6e-06 2.45e-05 ] [ -1.5e-06 1.1e-05 -1.34e-05 ] [ 2.4e-06 -1.64e-05 1.1e-05 ] [ -1.02e-05 5.2e-06 -1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.2097947936e-15 1.089480102144e-14 -2.88391791744e-15 ] [ 1.938633711168e-14 -4.646312200320001e-15 -1.345828361472e-14 ] [ 2.72370025536e-15 -5.76783583488e-15 3.92533272096e-14 ] [ -2.4032649312e-15 1.76239428288e-14 -2.146916671872e-14 ] [ 3.84522388992e-15 -2.627569658112e-14 1.76239428288e-14 ] [ -1.634220153216e-14 8.33131842816e-15 -1.92261194496e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }