{ "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" [ [ 0.2734529 -0.1881447 0.1972285 ] [ -0.2184867 0.0464596 0.0808917 ] [ 0.081525 0.1261625 -0.0112371 ] [ -0.3664562 -0.0810686 -0.3084725 ] [ 0.0514423 0.0066289 0.3051728 ] [ -0.2823533 0.3902844 -0.359314 ] [ 0.1822646 -0.2529728 0.0302007 ] [ 0.2786115 -0.0473492 0.06553 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.381198432699603e-10 -3.014410396674298e-10 3.159948916554528e-10 ] [ -3.500542826957434e-10 7.443648493171968e-11 1.296027905567674e-10 ] [ 1.3061744901072e-10 2.0213460792168e-10 -1.800381890559168e-11 ] [ -5.87127556187209e-10 -1.298862156009869e-10 -4.94227427659728e-10 ] [ 8.241965038017985e-11 1.062066860162112e-11 4.889407254640743e-10 ] [ -4.523798560657286e-10 6.253045411429555e-10 -5.756844903261313e-10 ] [ 2.920200809194637e-10 -4.053071058583142e-10 4.838685547179456e-11 ] [ 4.463848315860193e-10 -7.586178125358337e-11 1.04990633961024e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.748548 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.08667813499466e-18 } }