{ "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" [ [ 3.3663336 -3.5930998 4.8289657 ] [ -5.3787507 4.5982968 -0.9409488 ] [ 0.5776813 0.3665038 1.6364595 ] [ -4.7584301 0.8828487 -6.1358211 ] [ 0.6027456 0.5468893 2.5020363 ] [ -3.6325258 4.277777 -5.3026159 ] [ 2.2174901 -2.4946367 1.097641 ] [ 7.0054561 -4.584579 2.3142832 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.393461036169102e-09 -5.756780543190073e-09 7.736856010927453e-09 ] [ -8.617708691651143e-09 7.367283689156971e-09 -1.507566181150339e-09 ] [ 9.25547480758744e-10 5.872038246322092e-10 2.621897173387323e-09 ] [ -7.623845520742281e-09 1.414479558497276e-09 -9.830669196824177e-09 ] [ 9.657049165663103e-10 8.762132578446162e-10 4.008704097279814e-09 ] [ -5.819947959162156e-09 6.853754354862618e-09 -8.49572729405688e-09 ] [ 3.552810824346323e-09 -3.996848631058867e-09 1.758614762720394e-09 ] [ 1.122397807393277e-08 -7.345305350527085e-09 3.707890467498749e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.823605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.579356624264557e-18 } }