{ "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" [ [ -3.7959422 5.3850526 4.2631983 ] [ -7.5995483 -5.7722495 5.4443896 ] [ -2.5232992 -8.5249817 -4.4721442 ] [ 5.7687839 -2.0175372 4.7681258 ] [ 1.4032295 2.2918736 -4.5354051 ] [ 1.8128865 1.4548447 1.277343 ] [ 4.7420366 5.6645259 -5.6517808 ] [ 0.1918532 1.5184716 -1.0937266 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.081769846748117e-09 8.627805377498254e-09 6.830396646094305e-09 ] [ -1.217581861490039e-08 -9.24816319832449e-09 8.722873731646664e-09 ] [ -4.042770985523343e-09 -1.365852637248784e-08 -7.165164882086319e-09 ] [ 9.242610695027444e-09 -3.232450933434294e-09 7.639379681793297e-09 ] [ 2.248221498516873e-09 3.671986299748731e-09 -7.266520017077087e-09 ] [ 2.904564366463939e-09 2.33091816523479e-09 2.046529091342534e-09 ] [ 7.59758017549792e-09 9.07557096489608e-09 -9.055151063646321e-09 ] [ 3.073827116656666e-10 2.43285969686877e-09 -1.752343188067074e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.110423 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.503786253139861e-18 } }