{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0593131 0.2202338 0.0803823 ] [ 0.908893 -0.8335065 -0.7865273 ] [ -0.2183563 -0.0615981 2.1527901 ] [ -1.6676064 -1.7310573 2.0591797 ] [ 1.4965482 2.3497997 -0.5425614 ] [ -0.7085745 0.300114 -0.1634208 ] [ 0.4365739 -0.2351804 -1.5037187 ] [ 0.8118352 -0.0088051 -1.296124 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.697206682927173e-09 3.528534454699431e-10 1.287866417861318e-10 ] [ 1.456207115408774e-09 -1.335424627584835e-09 -1.260155651680948e-09 ] [ -3.498453588643911e-10 -9.869103570570049e-11 3.449149967709694e-09 ] [ -2.671799986776453e-09 -2.773459535325172e-09 3.299169573365958e-09 ] [ 2.397734537940323e-09 3.764794142902854e-09 -8.69279190428517e-10 ] [ -1.13526149799505e-09 4.808356343747713e-10 -2.618289851124327e-10 ] [ 6.994684958314772e-10 -3.768005385503924e-10 -2.409222945399769e-09 ] [ 1.300703377382492e-09 -1.410732536380608e-11 -2.076619570457779e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.158318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.953418836785182e-18 } }