{ "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" [ [ 1.7688597 -1.8572985 2.8457059 ] [ -1.772733 1.0459154 -0.6090666 ] [ 0.7129544 0.566151 1.5276694 ] [ -2.0205998 0.1231708 -3.0838902 ] [ 0.5120102 0.4945166 1.7715477 ] [ -2.0559098 1.7906489 -2.6358918 ] [ 1.3555818 -1.5518903 0.442698 ] [ 1.4998364 -0.6112139 -0.2587724 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.834025680164249e-09 -2.975720259063249e-09 4.55932350021594e-09 ] [ -2.840231390920722e-09 1.675741215020763e-09 -9.758322750698242e-10 ] [ 1.14227888078749e-09 9.070739035157338e-10 2.447596217156799e-09 ] [ -3.237357786225073e-09 1.973413777510872e-10 -4.940936820261586e-09 ] [ 8.203307788096667e-10 7.923029416451243e-10 2.838332330956441e-09 ] [ -3.293930643171612e-09 2.868935827277802e-09 -4.223164251712201e-09 ] [ 2.171881485435661e-09 -2.48640237719125e-09 7.092803915185318e-10 ] [ 2.403002834902677e-09 -9.792726289560125e-10 -4.145990928041016e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.448617292303474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.519276969933697e-18 } }