{ "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" [ 5.33408 0 0 ] "si-unit" "m" "si-value" [ 5.33408e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.034982 5.4373 0 ] "si-unit" "m" "si-value" [ 3.4982e-12 5.437299999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.179208 0.185424 5.40079 ] "si-unit" "m" "si-value" [ 1.79208e-11 1.85424e-11 5.40079e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0492126 -0.0420999 -0.0477888 ] [ 1.41891 1.35069 1.31795 ] [ 0.0600152 2.70621 2.67075 ] [ 1.52388 3.98641 4.19062 ] [ 2.7955 -0.0317733 2.51171 ] [ 4.14719 1.34284 3.96242 ] [ 2.77343 2.76788 -0.181612 ] [ 4.04692 4.12597 1.21449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.92126e-12 -4.209990000000001e-12 -4.77888e-12 ] [ 1.41891e-10 1.35069e-10 1.31795e-10 ] [ 6.00152e-12 2.70621e-10 2.67075e-10 ] [ 1.52388e-10 3.98641e-10 4.19062e-10 ] [ 2.7955e-10 -3.17733e-12 2.51171e-10 ] [ 4.14719e-10 1.34284e-10 3.96242e-10 ] [ 2.77343e-10 2.76788e-10 -1.81612e-11 ] [ 4.04692e-10 4.12597e-10 1.21449e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9421917 1.3023468 -1.1921271 ] [ -0.6545053 0.6869895 -1.5524634 ] [ 1.0184148 1.5784763 -0.8931793 ] [ -16.6760765 12.3790897 -12.5363157 ] [ -1.7329041 2.2084794 4.1784325 ] [ -2.3512445 0.0360319 -0.1131639 ] [ 15.9428728 -12.7080568 12.2160088 ] [ 0.5112511 -5.4833568 -0.1071919 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.316087376451807e-09 2.086589595133693e-09 -1.909998168642104e-09 ] [ -1.04863308984969e-09 1.100678515635082e-09 -2.487320564127679e-09 ] [ 1.631680382836708e-09 2.528997824346887e-09 -1.43103099264251e-09 ] [ -2.671801989497229e-08 1.983348810412609e-08 -2.008539192550799e-08 ] [ -2.776418435108465e-09 3.538374062198412e-09 6.694586863090896e-09 ] [ -3.767108967684585e-09 5.772946778300352e-11 -1.813085548985491e-10 ] [ 2.554329806854824e-08 -2.036055150075846e-08 1.957220369884706e-08 ] [ 8.191145597782828e-10 -8.785306068464703e-09 -1.717403561191315e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -62.271287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.976960017852697e-18 } }