{ "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" [ [ 2.6143386 -2.7386838 3.7357924 ] [ -1.8437104 1.2088657 -0.5312349 ] [ 0.5222909 0.4857612 1.0397618 ] [ -2.1180313 0.740933 -3.243324 ] [ 0.345849 0.492984 1.7298054 ] [ -2.6567311 2.5711331 -3.3509651 ] [ 1.5110246 -1.9525769 0.7267289 ] [ 1.6249696 -0.8084163 -0.1065645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.188632183775003e-09 -4.387855156123703e-09 5.985399243442322e-09 ] [ -2.953949698405816e-09 1.936816362227026e-09 -8.511321369330258e-10 ] [ 8.368022692365907e-10 7.78275237931753e-10 1.665882047160926e-09 ] [ -3.393460230982631e-09 1.187105530179206e-09 -5.19637788647954e-09 ] [ 5.541111821270592e-10 7.898474392284672e-10 2.771453770413592e-09 ] [ -4.256552456172267e-09 4.119409341785028e-09 -5.368837940336734e-09 ] [ 2.420928287573672e-09 -3.128373059494139e-09 1.164348053239701e-09 ] [ 2.603488302630728e-09 -1.295225695733639e-09 -1.707351505072416e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.216332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.642278380073091e-18 } }