{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4712325 0.3190923 0.4697374 ] [ 0.1082697 -0.1016721 -1.5025908 ] [ -0.5728813 0.2305891 0.2414678 ] [ -0.5637427 0.9046971 -0.5497763 ] [ 0.7957841 -0.1179466 0.0668073 ] [ 0.1974984 -0.7790989 -0.9105734 ] [ -0.2683218 -0.9557196 1.5659294 ] [ -0.1678388 0.5000587 0.6189985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.54997694461136e-10 5.112422229372998e-10 7.52602280195378e-10 ] [ 1.734671820810298e-10 -1.628966616076397e-10 -2.407415850389168e-09 ] [ -9.178570253535111e-10 3.694444650313132e-10 3.868740638360103e-10 ] [ -9.032153740866682e-10 1.44948454252556e-09 -8.80838734529927e-10 ] [ 1.274986680224369e-09 -1.889712850228493e-10 1.070370941587718e-10 ] [ 3.164273191254067e-10 -1.248254042870997e-09 -1.458899413002367e-09 ] [ -4.298989148109735e-10 -1.531231599160328e-09 2.508895474503372e-09 ] [ -2.689074014231271e-10 8.01182358167641e-10 9.917449250102689e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.842428 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.70389598991073e-18 } }