{ "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" [ [ 4.960790200000001 5.717323100000001 -1.8899376000000006 ] [ -1.8870181000000004 -1.6565644000000004 0.29689010000000005 ] [ -0.28840600000000005 1.1234395000000001 -1.8325392000000005 ] [ 0.7947019000000002 -1.1060974000000001 -0.7558412000000002 ] [ 0.4961377000000001 0.8937968000000002 -0.5930872000000001 ] [ 0.6213507000000001 -0.6724039000000002 -1.6143824000000004 ] [ -0.33617700000000006 2.1213253000000005 0.7215608000000001 ] [ -4.361379500000001 -6.420819100000002 5.667336700000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.948062079133758e-09 9.160161404379782e-09 -3.028013837490863e-09 ] [ -3.023336282846437e-09 -2.65410875252958e-09 4.756703771669741e-10 ] [ -4.620773504984449e-10 1.799948501783242e-09 -2.936051462939536e-09 ] [ 1.27325280468534e-09 -1.772163394607666e-09 -1.210991099677417e-09 ] [ 7.949002236374844e-10 1.432020336705854e-09 -9.50230445935734e-10 ] [ 9.955135648577149e-10 -1.077309808314741e-09 -2.586525738310995e-09 ] [ -5.386149298506817e-10 3.398737800771547e-09 1.156067844245745e-09 ] [ -6.987700269336396e-09 -1.02872862484061e-08 9.080074362941824e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.90192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.752121686583193e-18 } }