{ "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" [ [ 18.804125300000003 22.288839900000003 -12.669295500000004 ] [ -5.305148300000001 -5.219613200000001 0.06795030000000002 ] [ -1.4841382000000003 2.7134269000000004 -3.802992500000001 ] [ 2.3176122000000006 -3.373639200000001 -0.6786142000000001 ] [ 1.6758702000000005 1.7383737000000004 -1.1844779000000003 ] [ 1.9157104000000005 -3.902519500000001 -4.1303733000000005 ] [ -0.32080530000000007 8.030937300000001 2.1237608000000003 ] [ -17.603226300000003 -22.275806000000003 20.274042300000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.012753017846824e-08 3.57106584867469e-08 -2.029844921934135e-08 ] [ -8.499784646164822e-09 -8.36274230755797e-09 1.088683829332902e-10 ] [ -2.377851545666819e-09 4.347389177247056e-09 -6.093065722777246e-09 ] [ 3.713224113513336e-09 -5.405165897786453e-09 -1.087259814740603e-09 ] [ 2.685040076056907e-09 2.785181723300126e-09 -1.897742814869389e-09 ] [ 3.069306440390794e-09 -6.252525556629364e-09 -6.617587590957472e-09 ] [ -5.139867557233603e-10 1.286698009117905e-08 3.402639929965148e-09 ] [ -2.820347786087427e-08 -3.568977587671701e-08 3.248259684978762e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.552453 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.37569562099832e-18 } }