{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.7741444 9.2438069 14.4300524 ] [ -0.105283 -0.4424831 -1.3419607 ] [ 1.6019004 0.006731999999999999 1.1838849 ] [ 14.6816926 -13.720437 -13.510091 ] [ -11.2951939 8.7841634 12.3959679 ] [ -0.9788985 0.9808031 0.8685411 ] [ -1.2119688 1.4959696 -2.1495075 ] [ 11.0818957 -6.348555 -11.8768871 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.206861231102195e-08 1.481021142438797e-08 2.311949278267562e-08 ] [ -1.68681962557422e-10 -7.089360837598853e-10 -2.150058077286284e-09 ] [ 2.566527390875253e-09 1.0785853100088e-11 1.896792724125427e-09 ] [ 2.35226648312907e-08 -2.198256356966906e-08 -2.164555212341369e-08 ] [ -1.809689574307933e-08 1.4073781348718e-08 1.986053012519405e-08 ] [ -1.568368303757649e-09 1.571419809374765e-09 1.391556256088657e-09 ] [ -1.941788092497019e-09 2.396807538294326e-09 -3.443890691107754e-09 ] [ 1.775515435096507e-08 -1.017150648066387e-08 -1.902887099627602e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.558186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.056178822062592e-18 } }