{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0268551 0.6734458 0.2497991 ] [ -0.2671955 -0.9917036 1.0958753 ] [ -0.1244431 1.2793408 -0.5825947 ] [ 1.0003357 -0.3015844 -0.8770576 ] [ 0.1590416 0.6117368 0.9159226 ] [ -1.1367708 -1.1955125 0.1703249 ] [ 0.4702832 -0.4341367 -1.8376687 ] [ 0.9256039 0.3584138 0.8653992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.645203234169246e-09 1.078979116135953e-09 4.002222779168813e-10 ] [ -4.280943832829664e-10 -1.588884322683195e-09 1.755785784972186e-09 ] [ -1.993798254398765e-10 2.049729919795569e-09 -9.334196077419899e-10 ] [ 1.602714471491603e-09 -4.831914748779955e-10 -1.405201181814958e-09 ] [ 2.548127332546253e-10 9.801103990430056e-10 1.46746977618235e-09 ] [ -1.821307598968113e-09 -1.91542217737416e-09 2.728905727200979e-10 ] [ 7.534767481950106e-10 -6.955636709712633e-10 -2.944269827915929e-09 ] [ 1.482980928701301e-09 5.742422109320871e-10 1.386522365899023e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 155.9324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.498312457052339e-17 } }