{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.4169755 11.1964762 8.0314205 ] [ -9.9858645 -6.984561 12.6768546 ] [ -4.8243486 -14.4101629 -8.7354805 ] [ 9.0575587 -2.4453974 5.7075164 ] [ 1.1244389 3.6264238 -7.5828042 ] [ 4.3073642 1.5378333 0.5294844 ] [ 6.4990919 6.6527521 -10.4278919 ] [ 1.2387349 0.826636 -0.1990993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.188330474314639e-08 1.793873240298362e-08 1.286775415691385e-08 ] [ -1.599911864037668e-08 -1.119050034075147e-08 2.031056006540094e-08 ] [ -7.729458537509211e-09 -2.308762610029953e-08 -1.399578262855429e-08 ] [ 1.451180879066364e-08 -3.917958542845106e-09 9.144449338912581e-09 ] [ 1.801549717098069e-09 5.810171429472695e-09 -1.214899160934405e-08 ] [ 6.901158218510896e-09 2.463880559947713e-09 8.483275267583155e-10 ] [ 1.041269309861065e-08 1.06588838785981e-08 -1.670732460640969e-08 ] [ 1.984672096149026e-09 1.324416873111629e-09 -3.189922436776454e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.625592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.464801791335952e-18 } }