{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9209173 5.6970795 -3.219763 ] [ 3.6507034 -1.409616 -1.5670151 ] [ 18.6411005 14.8738485 -11.1658929 ] [ 0.6721422 -1.2645285 -3.4327685 ] [ -1.7138274 -0.912384 -5.7035559 ] [ -12.4402137 -15.1944022 8.9354927 ] [ -5.6004201 2.4825239 8.9847866 ] [ -5.1304021 -4.2725213 7.1687161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.07764878855026e-09 9.127727581738954e-09 -5.15862900311687e-09 ] [ 5.84907163695507e-09 -2.258453799505613e-09 -2.510634957660574e-09 ] [ 2.98663354070832e-08 2.383053232802115e-08 -1.788973255473671e-08 ] [ 1.076890518693078e-09 -2.025997999035293e-09 -5.499901435318684e-09 ] [ -2.74585419236645e-09 -1.461800313991987e-09 -9.138103918405902e-09 ] [ -1.993141954789587e-08 -2.434411597187209e-08 1.431623749926907e-08 ] [ -8.9728621508784e-09 3.977441753157237e-09 1.439521503339712e-08 ] [ -8.219810299923225e-09 -6.845333738730024e-09 1.148554933657255e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5114693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.043252387951694e-18 } }