{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2481118000000002 1.3874008000000002 -0.12253970000000003 ] [ -0.4124442000000001 -0.08697230000000002 0.22524710000000006 ] [ -0.24881560000000005 0.023894900000000007 -0.6191986000000002 ] [ 0.27470140000000004 -0.6144763000000001 -0.3538952000000001 ] [ -0.32828280000000004 -0.10112860000000003 -0.3272859000000001 ] [ -0.24120490000000006 -0.041016000000000004 -0.7615639000000002 ] [ 0.003949200000000001 0.5897104000000001 0.5334804000000001 ] [ -0.29601510000000003 -1.1574128000000001 1.4257558000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.999695546104606e-09 2.222861125439217e-09 -1.963302424598458e-10 ] [ -6.608084546245595e-10 -1.393449857172039e-10 3.608856375229998e-10 ] [ -3.986465372103246e-10 3.828385013635393e-11 -9.920655205520911e-10 ] [ 4.401201607810292e-10 -9.844995618956872e-10 -5.670026156533403e-10 ] [ -5.259670271707623e-10 -1.620258786142349e-10 -5.243698172974868e-10 ] [ -3.864528516024021e-10 -6.571487627873281e-11 -1.220159875825269e-09 ] [ 6.327315910863361e-12 9.448202159226164e-10 8.547298245350325e-10 ] [ -4.742684726237742e-10 -1.854379728774666e-09 2.284312609730001e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 157.98781 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.531243755533925e-17 } }