{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.040364399999999995 -0.03635519999999999 -0.08449259999999999 ] [ 0.17958569999999996 0.31181859999999995 -0.5672137999999999 ] [ -0.6765191999999999 0.20114309999999996 -0.5867474999999999 ] [ -0.043781499999999994 0.6092698999999999 0.06825709999999999 ] [ 0.47012689999999996 0.19905959999999998 0.22569829999999996 ] [ -0.5226543999999999 -0.057578199999999996 0.26210179999999994 ] [ 0.27174469999999995 -0.6004416999999999 0.5418530999999999 ] [ 0.36186229999999997 -0.6269161999999999 0.14054349999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.467089799261952e-11 -5.824745148450815e-11 -1.353720683506061e-10 ] [ 2.877280099700025e-10 4.995884708505869e-10 -9.087766893551269e-10 ] [ -1.083903245762319e-09 3.222667722552364e-10 -9.400731268128478e-10 ] [ -7.01456957235552e-11 9.761579895371538e-10 1.093599298236077e-10 ] [ 7.532263279891795e-10 3.189286372657996e-10 3.616085396143046e-10 ] [ -8.373846604382513e-10 -9.225044590774657e-11 4.199333762295973e-10 ] [ 4.353830051663097e-10 -9.620136538934072e-10 8.681443687280043e-10 ] [ 5.797673170089158e-10 -1.004430478840777e-09 2.251755099054048e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 146.26311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.343393353274987e-17 } }