{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3102778 0.1471483 1.623251 ] [ -0.3746162 -0.4384188 -0.2055428 ] [ 1.396256 1.2638374 0.5734832 ] [ -1.3017767 0.319345 -2.6836336 ] [ 0.1608724 0.0138325 -0.2491494 ] [ -1.8347674 0.5603305 -0.5400041 ] [ 2.4615273 -1.5762994 1.1511652 ] [ -1.8177732 -0.2897755 0.3304305 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.099296457913258e-09 2.357575660504647e-10 2.600734801890221e-09 ] [ -6.002013174129369e-10 -7.02424351479191e-10 -3.293158687337702e-10 ] [ 2.237048719851724e-09 2.024890734772658e-09 9.188213754615706e-10 ] [ -2.085676194242175e-09 5.11647092969376e-10 -4.299655012713339e-09 ] [ 2.577459982119859e-10 2.2162108107216e-11 -3.991813437663475e-10 ] [ -2.939621432886002e-09 8.977484270211744e-10 -8.651819441561453e-10 ] [ 3.943801491520948e-09 -2.525510046061067e-09 1.844369970118556e-09 ] [ -2.912393722956803e-09 -4.642715313806304e-10 5.294080218992545e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.833826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.498164555981518e-18 } }