{ "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" [ [ 1.608970117235688e-07 2.119933306694885e-07 -1.106874852005018e-07 ] [ 1.899168255773806e-09 6.70276998018163e-11 9.35840224245993e-09 ] [ 1.256742674695677e-06 1.028069634536014e-06 -5.26359512697995e-07 ] [ -3.489410343034299e-08 6.285114258236164e-09 -1.040626660796696e-08 ] [ -4.405319778509331e-08 -5.019775949709317e-08 -3.816042517862929e-08 ] [ -1.179079412939025e-06 -9.891081891394917e-07 5.338667485371109e-07 ] [ 1.202423155784131e-08 3.000881296852939e-09 3.355337800140823e-08 ] [ -1.735363719181813e-07 -2.101100398238092e-07 1.088351610643316e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 208.87049 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.346474158530402e-17 } }