{ "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" [ 5.41643 0 0 ] "si-unit" "m" "si-value" [ 5.41643e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0584288 5.39313 0 ] "si-unit" "m" "si-value" [ 5.84288e-12 5.39313e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0447548 0.203328 5.3475 ] "si-unit" "m" "si-value" [ -4.47548e-12 2.03328e-11 5.3475e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0133581 0.0277146 -0.124532 ] [ 1.5025 1.22494 1.34546 ] [ 0.0458685 2.70233 2.56072 ] [ 1.46199 4.10879 4.17844 ] [ 2.74075 -0.0340431 2.6907 ] [ 4.13695 1.41216 4.09761 ] [ 2.75898 2.67415 0.0540851 ] [ 4.02257 4.13506 1.27654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.33581e-12 2.77146e-12 -1.24532e-11 ] [ 1.5025e-10 1.22494e-10 1.34546e-10 ] [ 4.58685e-12 2.70233e-10 2.56072e-10 ] [ 1.46199e-10 4.10879e-10 4.17844e-10 ] [ 2.74075e-10 -3.40431e-12 2.6907e-10 ] [ 4.13695e-10 1.41216e-10 4.09761e-10 ] [ 2.75898e-10 2.67415e-10 5.40851e-12 ] [ 4.02257e-10 4.13506e-10 1.27654e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0043771 -1.9608906 2.7510865 ] [ -2.5317971 1.7661171 -0.5728817 ] [ 0.6088359 0.4996127 1.0308301 ] [ -2.7922614 0.2279702 -3.4610203 ] [ 0.4959535 0.3189086 1.8732086 ] [ -2.2450141 2.7182317 -3.2913185 ] [ 1.4146424 -1.6320451 0.586243 ] [ 3.0452637 -1.9379046 1.0838524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.211366128886904e-09 -3.141693075266484e-09 4.407726472098499e-09 ] [ -4.05638612222924e-09 2.829631527215095e-09 -9.178576662241595e-10 ] [ 9.754626448837267e-10 8.004677873947643e-10 1.651571886236926e-09 ] [ -4.473695934242278e-09 3.652485246791002e-10 -5.545165808774203e-09 ] [ 7.946051027039328e-10 5.109479030920589e-10 3.001211024801499e-09 ] [ -3.596909104386354e-09 4.355087279657439e-09 -5.273273552306524e-09 ] [ 2.266506980072402e-09 -2.614824503311198e-09 9.392648287076543e-10 ] [ 4.879050304310905e-09 -3.104865443460775e-09 1.73652297567797e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -40.730394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.525728502277259e-18 } }