{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0895745 0.2516091 0.1482001 ] [ -0.098812 -0.278993 0.4915599 ] [ -1.0692163 0.7224031 -0.486008 ] [ 1.0263899 0.4373292 -1.4173833 ] [ -0.3469479 -0.2830438 1.4752936 ] [ 0.6709117 -1.1787912 -0.2785306 ] [ -0.5469057 -0.3223046 -0.8429494 ] [ 2.4541549 0.6517911 0.9098177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.347867438902233e-09 4.031222209217693e-10 2.374427373764634e-10 ] [ -1.58314277558808e-10 -4.469960656495619e-10 7.875657859913765e-10 ] [ -1.713073372551934e-09 1.157417367149165e-09 -7.786706615370719e-10 ] [ 1.644457915153597e-09 7.006786256059127e-10 -2.270898404681812e-09 ] [ -5.558718185953685e-10 -4.534861627585691e-10 2.363680934209742e-09 ] [ 1.074919049217218e-09 -1.888631717004821e-09 -4.462552191740004e-10 ] [ -8.762395335414138e-10 -5.163888991507164e-10 -1.350553832324319e-09 ] [ 3.931989636996606e-09 1.044284470669157e-09 1.457688660139622e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.145076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.791079620135418e-18 } }