{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1874483 -0.2983735 0.4506311 ] [ 0.6482882 -0.6036471 -0.5321816 ] [ -0.1880864 -0.1056195 1.7480015 ] [ -1.0998587 -1.3087632 1.4165376 ] [ 1.1009852 1.8002305 -0.0928522 ] [ -0.8063592 0.4282543 -0.1378349 ] [ 0.4573455 -0.3647214 -1.465781 ] [ 1.0751335 0.45264 -1.3865205 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.902501920343022e-09 -4.78047049904799e-10 7.219906189737173e-10 ] [ 1.038672206137919e-09 -9.671492788018614e-10 -8.526489245647343e-10 ] [ -3.013476352531775e-10 -1.69221094994763e-10 2.800607159496951e-09 ] [ -1.762167909841616e-09 -2.096869818479068e-09 2.269543443902438e-09 ] [ 1.763972761819817e-09 2.884287242914137e-09 -1.487656252554948e-10 ] [ -1.291929868850933e-09 6.861390328700261e-10 -2.208358561297266e-10 ] [ 7.327482737650469e-10 -5.843481049997676e-10 -2.348440068761153e-09 ] [ 1.722553772130639e-09 7.252092316137599e-10 -2.221450747661997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.97305829230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.603301681544857e-18 } }