{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 100.4240167 132.3158308 -69.0856949 ] [ 1.1853676 0.041835399999999995 5.8410553 ] [ 784.3970873 641.6706006 -328.5277702 ] [ -21.7791865 3.9228598 -6.4950808 ] [ -27.4958436 -31.3309774 -23.8178642 ] [ -735.9234916 -617.3527789 333.2134183 ] [ 7.5049351 1.8730028 20.9423715 ] [ -108.3128849 -131.1403731 67.9295651 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.608970130491658e-07 2.119933324160575e-07 -1.106874861124329e-07 ] [ 1.899168271420658e-09 6.702770035404358e-11 9.35840231956186e-09 ] [ 1.256742685049718e-06 1.028069643006066e-06 -5.263595170345614e-07 ] [ -3.489410371782824e-08 6.285114310017913e-09 -1.040626669370203e-08 ] [ -4.405319814803844e-08 -5.019775991066207e-08 -3.816042549302509e-08 ] [ -1.179079422653215e-06 -9.89108197288548e-07 5.33866752935528e-07 ] [ 1.202423165690645e-08 3.000881321576575e-09 3.355337827784752e-08 ] [ -1.735363733479114e-07 -2.101100415548621e-07 1.088351619610019e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 208.87049 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.346474186101306e-17 } }