{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5048e-10 0.0 0.0 ] "source-value" [ 5.5048 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] "source-value" [ 0.0192448 5.36034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] "source-value" [ 0.190348 0.0157222 5.58687 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 9.794702013088661e-09 1.277479731133399e-08 -1.086865333877088e-08 ] [ -4.908552784606316e-09 5.017728784553856e-09 -7.784015375147705e-09 ] [ -1.127987872484877e-08 -9.825847205073379e-09 -8.122365597410844e-09 ] [ 4.4593244099537e-09 1.025963412189005e-10 1.603116890193449e-08 ] [ 1.138795402945782e-08 4.397237822850432e-11 -1.489468302056583e-10 ] [ 6.665678469886478e-09 -3.036150331241933e-09 -4.03843020840461e-09 ] [ -6.338788616991923e-09 5.011333376136608e-09 2.823540372138138e-09 ] [ -9.780438956157313e-09 -1.008843081537421e-08 1.210770223608473e-08 ] ] "source-value" [ [ 6.1133722 7.9734014 -6.7836799 ] [ -3.0636777 3.13182 -4.8584003 ] [ -7.0403466 -6.1328115 -5.0695819 ] [ 2.7832914 0.0640356 10.0058687 ] [ 7.1078019 0.0274454 -0.0929653 ] [ 4.1603893 -1.895016 -2.5205899 ] [ -3.9563607 3.1278283 1.7623153 ] [ -6.1044699 -6.2967033 7.5570334 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.322930933838613e-18 "source-value" -33.223122 } }