{ "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" [ 5.44445 0 0 ] "si-unit" "m" "si-value" [ 5.44445e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.167308 5.39053 0 ] "si-unit" "m" "si-value" [ 1.67308e-11 5.39053e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00577721 0.0671422 5.23553 ] "si-unit" "m" "si-value" [ 5.77721e-13 6.71422e-12 5.23553e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0663122 0.114884 -0.548352 ] [ 1.65266 1.49476 1.67932 ] [ 0.0154179 2.74054 2.60324 ] [ 1.52833 4.11061 4.06642 ] [ 2.73369 0.0515698 2.61947 ] [ 3.80738 1.47511 4.06717 ] [ 2.81179 3.14543 -0.204063 ] [ 4.02065 4.01269 1.26672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.63122e-12 1.14884e-11 -5.48352e-11 ] [ 1.65266e-10 1.49476e-10 1.67932e-10 ] [ 1.54179e-12 2.74054e-10 2.60324e-10 ] [ 1.52833e-10 4.11061e-10 4.06642e-10 ] [ 2.733690000000001e-10 5.15698e-12 2.61947e-10 ] [ 3.807380000000001e-10 1.47511e-10 4.06717e-10 ] [ 2.81179e-10 3.14543e-10 -2.04063e-11 ] [ 4.02065e-10 4.01269e-10 1.26672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7278858 0.3858354 11.6707102 ] [ -5.464173 2.4693727 -6.7627979 ] [ -0.5440133 -0.4551978 1.5372607 ] [ -17.6223784 10.3890432 -15.7306674 ] [ 2.9006969 -5.3122562 -0.794703 ] [ 2.4700069 -1.536556 -3.9397105 ] [ 6.7824062 -11.5169433 9.7744206 ] [ 10.7495689 5.5767022 4.2454872 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.166201620980397e-09 6.181764624500435e-10 1.869853918462546e-08 ] [ -8.75457030473368e-09 3.956371240577491e-09 -1.083519677584427e-08 ] [ -8.716053978452321e-10 -7.293072790082051e-10 2.462963173906483e-09 ] [ -2.82341629079863e-08 1.664508226465659e-08 -2.520330774550553e-08 ] [ 4.647428795496234e-09 -8.51117275746163e-09 -1.273254577569702e-09 ] [ 3.957387340998774e-09 -2.461834120032504e-09 -6.312112107824456e-09 ] [ 1.086661273593673e-08 -1.845217745036285e-08 1.566034829620826e-08 ] [ 1.722270811715308e-08 8.934861959616395e-09 6.802020391786084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.461235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.598686588778299e-18 } }