{ "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" [ [ 44.2773931 -43.4181679 48.0363315 ] [ -12.8441088 7.6082684 -11.1207811 ] [ 1.0444253 0.7046712 3.8410442 ] [ -21.8803205 18.9006115 -25.5739606 ] [ 4.217785 0.5345806 20.339223 ] [ -49.1507978 43.1528853 -43.3491183 ] [ 22.6783665 -24.136622 15.8035836 ] [ 11.6572571 -3.3462271 -7.9763222 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.094020405479124e-08 -6.956357352734903e-08 7.696268727829859e-08 ] [ -2.057853083437155e-08 1.218978975525142e-08 -1.781745548345451e-08 ] [ 1.673353797832026e-09 1.129007721991081e-09 6.154031216699439e-09 ] [ -3.505613796071097e-08 3.028211786412362e-08 -4.097400177458034e-08 ] [ 6.757636518560929e-09 8.564925392532365e-10 3.258702757583764e-08 ] [ -7.874825912882807e-08 6.913854394772399e-08 -6.945294387255344e-08 ] [ 3.633474860423392e-08 -3.867113147348693e-08 2.53201321687783e-08 ] [ 1.867698478827481e-08 -5.361246827507383e-09 -1.277947694880802e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -23.554496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.773846280592712e-18 } }