{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1284827 0.9349063 0.4985928 ] [ -0.089213 -0.2153457 -0.2418789 ] [ -0.3635909 0.5793552 -1.1065018 ] [ 0.1500218 1.1822711 -0.3952338 ] [ -0.7545137 -0.7958399 -0.2380028 ] [ 0.3779828 -0.295585 -0.3434279 ] [ -0.1964057 -1.1463643 0.57915 ] [ 0.747236 -0.2433977 1.2473023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.058519781172602e-10 1.497885016498631e-09 7.988337274592103e-10 ] [ -1.429349828714304e-10 -3.450218459298106e-10 -3.875327186448212e-10 ] [ -5.825368395156307e-10 9.282293565789081e-10 -1.772811314833118e-09 ] [ 2.403614205703334e-10 1.894207115867499e-09 -6.332343541099431e-10 ] [ -1.208864210213305e-09 -1.27507608167981e-09 -3.813225218449382e-10 ] [ 6.055952052245223e-10 -4.73579376459168e-10 -5.502321523104403e-10 ] [ -3.146766207318586e-10 -1.836678080379757e-09 9.2790058993632e-10 ] [ 1.197204049420109e-09 -3.899661044964922e-10 1.998398584130068e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 633.12504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.014378137131065e-16 } }