{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4925916 0.2773787 3.8594486 ] [ -2.2494853 4.0721522 -4.5441062 ] [ -1.9005101 -0.5872775 3.8761221 ] [ -8.6409505 4.2811446 -10.6848634 ] [ 1.2885869 -3.3742033 2.8465797 ] [ 2.3372833 2.8657285 -4.6975204 ] [ 6.4445008 -8.9978618 6.6129683 ] [ 2.2279832 1.4629385 2.7313713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.892187516246743e-10 4.444096719092957e-10 6.183518367044011e-09 ] [ -3.60407278618648e-09 6.524307104931694e-09 -7.28046077605453e-09 ] [ -3.044952874901003e-09 -9.409222881739349e-10 6.210232259151011e-09 ] [ -1.384432898665062e-08 6.859149844895277e-09 -1.711903847696179e-08 ] [ 2.064543822058494e-09 -5.406069685625692e-09 4.560723482158729e-09 ] [ 3.744740690298412e-09 4.591403242087868e-09 -7.526257422618332e-09 ] [ 1.032522859955431e-08 -1.441616393192118e-08 1.05951432916427e-08 ] [ 3.569622623984548e-09 2.343885881679009e-09 4.376139275638205e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.590394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.100033132165379e-18 } }