{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44445e-10 0.0 0.0 ] "source-value" [ 5.44445 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] "source-value" [ 0.167308 5.39053 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] "source-value" [ 0.00577721 0.0671422 5.23553 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.06313198717962e-09 3.362632269968832e-11 1.050007773412103e-08 ] [ -4.269735165408209e-09 3.261938673704794e-09 -9.526857976288761e-09 ] [ -6.411303611502316e-10 1.694285754729792e-10 2.860710709523036e-09 ] [ -6.972316169423472e-09 3.93866619501596e-09 -1.158837639122485e-08 ] [ 1.454795597805849e-10 -2.686724902869853e-09 2.779099517465712e-09 ] [ 1.918124408462801e-09 1.309003613584209e-09 -4.077816195838412e-09 ] [ 3.73563500905728e-09 -1.041616453469494e-08 9.302049685264843e-09 ] [ 5.020810731501626e-09 4.390226057087163e-09 -2.488870830225965e-10 ] ] "source-value" [ [ 0.6635548 0.0209879 6.5536331 ] [ -2.6649591 2.035942 -5.9461971 ] [ -0.4001621 0.105749 1.7855152 ] [ -4.3517775 2.4583221 -7.2328957 ] [ 0.0908012 -1.6769218 1.7345775 ] [ 1.1971991 0.8170158 -2.5451727 ] [ 2.3316 -6.5012586 5.8058828 ] [ 3.1337436 2.7401636 -0.1553431 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.435839585165795e-18 "source-value" -15.203315 } }