{ "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" [ [ -2.4815893 2.3979028 3.3541937 ] [ -3.6711063 -3.6198272 3.1693176 ] [ -0.6169548 -5.4035654 -2.6687115 ] [ 2.9522108 -1.6775531 0.5424933 ] [ -0.113607 2.6635497 -1.4106689 ] [ 1.9552968 1.6416418 -1.0340059 ] [ 2.6175569 2.0223485 -0.9561453 ] [ -0.641807 1.975503 -0.9964729 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.975944358887438e-09 3.841863805110858e-09 5.37401072777465e-09 ] [ -5.881760686331591e-09 -5.799602511175926e-09 5.077806562609966e-09 ] [ -9.8847055665034e-10 -8.6574661528438e-09 -4.2757471729601e-09 ] [ 4.729963123433266e-09 -2.687736356970565e-09 8.691700822006407e-10 ] [ -1.820184793592256e-10 4.267477057678853e-09 -2.260140731269653e-09 ] [ 3.132730819685054e-09 2.630200111688029e-09 -1.656660078749262e-09 ] [ 4.193788468793724e-09 3.240159485809949e-09 -1.531913645747802e-09 ] [ -1.028288170465786e-09 3.165104720920263e-09 -1.596525583640776e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 686.17244 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.099369441205291e-16 } }