{ "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" [ 5.50751 0 0 ] "si-unit" "m" "si-value" [ 5.50751e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0552432 5.46365 0 ] "si-unit" "m" "si-value" [ 5.52432e-12 5.46365e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.041151 -0.173599 5.4807 ] "si-unit" "m" "si-value" [ -4.115100000000001e-12 -1.73599e-11 5.4807e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0203681 -0.0104771 -0.043973 ] [ 1.36957 1.30557 1.36025 ] [ 0.0138031 2.57027 2.84477 ] [ 1.29725 4.08516 4.13225 ] [ 2.77149 -0.00701058 2.61036 ] [ 3.98017 1.30013 4.07827 ] [ 2.6961 2.74296 0.249943 ] [ 4.17055 4.00651 1.44609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03681e-12 -1.04771e-12 -4.3973e-12 ] [ 1.36957e-10 1.30557e-10 1.36025e-10 ] [ 1.38031e-12 2.57027e-10 2.84477e-10 ] [ 1.29725e-10 4.08516e-10 4.13225e-10 ] [ 2.77149e-10 -7.01058e-13 2.61036e-10 ] [ 3.98017e-10 1.30013e-10 4.07827e-10 ] [ 2.6961e-10 2.74296e-10 2.49943e-11 ] [ 4.170550000000001e-10 4.00651e-10 1.44609e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.3232262 4.7966255 5.1263357 ] [ -2.5427562 -1.1424205 0.6829694 ] [ -1.0563174 -0.0671906 3.5579883 ] [ -5.3329098 -6.8247827 -5.9290722 ] [ 5.9557611 3.95454 -0.9966904 ] [ 1.2718889 1.9838197 -10.1896386 ] [ 3.9086097 0.4211848 4.8045361 ] [ -6.5275025 -3.1217761 2.9435716 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.926571944070025e-09 7.68504123483311e-09 8.213295208912403e-09 ] [ -4.073944536034249e-09 -1.830359416222646e-09 1.094237605401803e-09 ] [ -1.692407042424242e-09 -1.076512084575245e-10 5.700525671339937e-09 ] [ -8.544263402395204e-09 -1.09345072839803e-08 -9.499420861875222e-09 ] [ 9.542181193490092e-09 6.335871534018432e-09 -1.5968740570558e-09 ] [ 2.037790659835029e-09 3.17842954322247e-09 -1.632560073932124e-08 ] [ 6.262283081172101e-09 6.748124395963238e-10 7.69771541320961e-09 ] [ -1.045821189771355e-08 -5.001636682792202e-09 4.71612159917085e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.177962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.591995248859081e-18 } }