{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2103138 1.1173386 -2.5825998 ] [ -0.7003513 0.4624906 0.3555188 ] [ -0.6938926 -0.8501148 -1.5272123 ] [ -1.0837756 -0.6830709 3.460687 ] [ 3.4427573 1.4568001 -1.6669653 ] [ -0.1542697 -1.990283 -0.391276 ] [ -0.3997578 1.0641532 0.2126989 ] [ -1.6210241 -0.5773138 2.1391488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.939136490167749e-09 1.790173797186272e-09 -4.137781054533073e-09 ] [ -1.122086488451524e-09 7.409916327646402e-10 5.696039143077191e-10 ] [ -1.111738510225508e-09 -1.362034068777583e-09 -2.446863862217398e-09 ] [ -1.73639994281933e-09 -1.094400235345351e-09 5.544631848987558e-09 ] [ 5.515905302592927e-09 2.334051080628863e-09 -2.6707728533488e-09 ] [ -2.471673086741898e-10 -3.188784917647422e-09 -6.26893264644984e-10 ] [ -6.404826064192451e-10 1.704961392036329e-09 3.407812076575026e-10 ] [ -2.597166936170879e-09 -9.24958680845749e-10 3.427294224009139e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.860613 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.745503622951664e-18 } }