{ "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" [ [ 2.7996282 -3.3755299 5.3124851 ] [ -3.0504165 2.3496821 -0.950073 ] [ 0.7978499 0.5366395 2.3526247 ] [ -3.0064071 0.5014774 -5.3291936 ] [ 0.6985728 0.8080573 2.3349311 ] [ -3.1005542 3.1220509 -4.7896984 ] [ 2.1376468 -2.2637516 1.0139378 ] [ 2.7236801 -1.6786258 0.0549865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.485498848972386e-09 -5.408195088591363e-09 8.51153942556835e-09 ] [ -4.887306000002564e-09 3.764605726932247e-09 -1.522184748653318e-09 ] [ 1.278296456687618e-09 8.597912606978017e-10 3.769320291856614e-09 ] [ -4.816795168227129e-09 8.034553661395699e-10 -8.538309393636987e-09 ] [ 1.119237008086794e-09 1.294650514326772e-09 3.740972019598827e-09 ] [ -4.967635450763248e-09 5.002076960927599e-09 -7.673942797163167e-09 ] [ 3.424887726487934e-09 -3.626929888818593e-09 1.624507438105386e-09 ] [ 4.363816578758207e-09 -2.689455011831697e-09 8.80980847596192e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -34.750165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.567590193194244e-18 } }