{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.338997 2.8631105 -1.3910065 ] [ -0.3353838 0.5637904 -0.3164973 ] [ -1.4611273 -1.535839 -1.741819 ] [ 1.881039 1.1154329 1.254037 ] [ 0.5722137 -0.9430298 0.5926044 ] [ 0.7080097 -0.726051 -0.8864935 ] [ -0.9397639 0.1683252 -0.1235657 ] [ -1.7639845 -1.5057392 2.6127407 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.145309688721338e-09 4.587208705866999e-09 -2.228638093680835e-09 ] [ -5.373440833550631e-10 9.032917979114804e-10 -5.070845746063238e-10 ] [ -2.340984000072628e-09 -2.460685339112851e-09 -2.790701679465236e-09 ] [ 3.013756708613011e-09 1.787120514451144e-09 2.00918876301817e-09 ] [ 9.16787412241465e-10 -1.5109002982777e-09 9.494569150632116e-10 ] [ 1.134356588639622e-09 -1.163261937708461e-09 -1.420319160191165e-09 ] [ -1.505667749651829e-09 2.696867001314841e-10 -1.979740756727866e-10 ] [ -2.826214725353578e-09 -2.412460143262095e-09 4.186072065752627e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -56.75632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.093364898664347e-18 } }