{ "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" [ [ -7.7346041 9.5687103 4.5211599 ] [ -12.123342 -8.1250145 6.6320403 ] [ -6.8130026 -12.5996002 -2.841184 ] [ 8.0186079 -1.007235 2.4604102 ] [ 1.7253509 0.6103091 -2.4706233 ] [ 7.1220939 2.3336099 -0.2783457 ] [ 9.7431574 8.0333438 -6.4090336 ] [ 0.0617385 1.1858767 -1.6144238 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.23922019622606e-08 1.533076406017513e-08 7.243696750357776e-09 ] [ -1.942373527839082e-08 -1.301770838281119e-08 1.062570000440635e-08 ] [ -1.091563357310125e-08 -2.018678503818172e-08 -4.552078617694656e-09 ] [ 1.284722621458781e-08 -1.61376838194699e-09 3.942011732495267e-09 ] [ 2.764316897430871e-09 9.778229795375693e-10 -3.958374922675972e-09 ] [ 1.141085243173393e-08 3.738855254651076e-09 -4.459589767143737e-10 ] [ 1.561025912766419e-08 1.287083572924877e-08 -1.02684038804409e-08 ] [ 9.8915982118209e-11 1.899983939545028e-09 -2.586592089733489e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.208435 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.558183563470779e-18 } }