{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9047556 -0.3070243 -0.3688296999999999 ] [ 0.0631802 -0.2542789 -0.22132669999999996 ] [ 0.0620972 -0.3463793 0.7254119999999998 ] [ -0.7299928 -0.1991465 0.7019596999999999 ] [ 0.2321361 0.6256574 0.022285899999999997 ] [ -0.1357786 0.6317853 -0.5833104999999998 ] [ -0.6014971 -0.2204069 -0.6215017999999999 ] [ 0.2050994 0.0697934 0.3453110999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.449578269857876e-09 -4.919071554774855e-10 -5.909303223966777e-10 ] [ 1.012258393374682e-10 -4.073997087427411e-10 -3.546044642988153e-10 ] [ 9.949068205714176e-11 -5.549608163890694e-10 1.162238146847769e-09 ] [ -1.16957739751233e-09 -3.190678664141472e-10 1.124663420083781e-09 ] [ 3.719230322636909e-10 1.002413658910514e-09 3.570594795348672e-11 ] [ -2.175412985249549e-10 1.012231637025114e-09 -9.345664457671581e-10 ] [ -9.637045910989997e-10 -3.531307822430035e-10 -9.957556537451172e-10 ] [ 3.286054636201075e-10 1.118213537661427e-10 5.532493713227308e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 150.44228 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.410351037958475e-17 } }