{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3059468999999997 2.8331401999999994 -1.3525022999999998 ] [ 0.5919892999999999 -1.2483135999999997 -0.7012332999999998 ] [ -1.0254747999999998 2.6388154999999998 0.09745329999999998 ] [ -0.29361069999999995 -1.6665127999999996 0.4779185999999999 ] [ -0.7696123999999998 0.4687391999999999 -0.19446959999999994 ] [ 1.4359201999999998 -1.7250276999999996 0.5326503999999999 ] [ -2.5592710999999997 0.44736389999999987 -1.4439263999999998 ] [ 1.3141124999999998 -1.7482047999999994 2.5841093999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.092357608424734e-09 4.539191029286086e-09 -2.166947582491258e-09 ] [ 9.48471424038016e-10 -2.000018881824422e-09 -1.123499608242712e-09 ] [ -1.642991763315823e-09 4.227848535537026e-09 1.561374001661922e-10 ] [ -4.704162030323837e-10 -2.670047868421914e-09 7.657100138739921e-10 ] [ -1.233055004516661e-09 7.510029936798526e-10 -3.115746491433262e-10 ] [ 2.300597792728606e-09 -2.763799073942761e-09 8.534000249707532e-10 ] [ -4.100404356491476e-09 7.167559874751124e-10 -2.313425139295737e-09 ] [ 2.105440341947325e-09 -2.800932882006642e-09 4.140199700379759e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.042859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.77470265123566e-18 } }