{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0969085 -0.4297334 -6.9380148 ] [ 0.9798795 1.3490065 6.017775 ] [ -4.755552 -9.0390333 -8.581135 ] [ 0.731016 -0.0906808 16.0000405 ] [ 4.0102216 1.9002931 -8.1466828 ] [ 5.1290416 -1.8131921 8.7279531 ] [ 0.175495 3.5141359 -5.6815054 ] [ -0.1731931 4.6092041 -1.3984304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.768324338335988e-09 -6.885088123293756e-10 -1.111592519890618e-08 ] [ 1.569940039035603e-09 2.161346693414121e-09 9.64153849366935e-09 ] [ -7.619234296171967e-09 -1.448212794720791e-08 -1.374849399019959e-08 ] [ 1.171216754280144e-09 -1.452866589124272e-10 2.563489103215367e-08 ] [ 6.425083344682094e-09 3.044605202571425e-09 -1.30524248267697e-08 ] [ 8.217630606333973e-09 -2.905054015573391e-09 1.398372251946787e-08 ] [ 2.8117398838383e-10 5.630266427680561e-09 -9.102775197824823e-09 ] [ -2.774859379900253e-10 7.384759110356999e-09 -2.240532511155273e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.069634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.696162854973196e-18 } }