{ "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" [ [ 5.439757647585797e-09 -3.448557002142336e-10 3.021667712026471e-08 ] [ -1.433104497581616e-08 2.271128698861593e-08 -3.065389445744417e-08 ] [ -4.118648628325472e-09 2.581393966594571e-09 1.142498722052398e-08 ] [ -4.93370018034577e-08 3.339082596799173e-08 -7.122335112136704e-08 ] [ 1.097502088331982e-08 -2.605459396440233e-08 2.423870076110655e-08 ] [ -1.104894563303886e-08 1.118863845130044e-08 -1.836194960041521e-08 ] [ 4.78325030018684e-08 -5.862587326558115e-08 4.723700359218454e-08 ] [ 1.458835966808183e-08 1.515317755569505e-08 7.121826485146665e-09 ] ] "source-value" [ [ 3.3952297 -0.215242 18.8597666 ] [ -8.9447348 14.1752705 -19.1326562 ] [ -2.5706583 1.6111794 7.1309162 ] [ -30.7937347 20.8409145 -44.4541196 ] [ 6.8500693 -16.2619986 15.1286072 ] [ -6.8962095 6.9833989 -11.4606276 ] [ 29.8547004 -36.5913923 29.4830189 ] [ 9.105338 9.4578696 4.4450945 ] ] } "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" -1.865287347209073e-18 "source-value" -11.642208 } }