{ "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" [ [ 4.4887645 0.1042877 -1.1571237999999997 ] [ -0.5089733 -1.2275789 0.40009579999999995 ] [ 0.4972252 0.3212004 1.8067076999999998 ] [ -3.1373144 -2.3011551 3.1103588999999996 ] [ 1.52949 3.1466356 -0.9182853999999999 ] [ -1.5693778 0.8600933 -1.8804275999999998 ] [ -0.6246079 -0.5052634 -2.8220637999999996 ] [ -0.6752065 -0.3982196 1.4607380999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.191793538177003e-09 1.670873147770041e-10 -1.853916699731255e-09 ] [ -8.154651218714246e-10 -1.966798213767381e-09 6.410241368402726e-10 ] [ 7.966425907126042e-10 5.146197714716083e-10 2.89466483755934e-09 ] [ -5.02653178377918e-09 -3.686856902054686e-09 4.983344311877205e-09 ] [ 2.450513119747392e-09 5.04146599249698e-09 -1.471255399101976e-09 ] [ -2.514420420362539e-09 1.378021376966721e-09 -3.012777137827054e-09 ] [ -1.000732174546984e-09 -8.095212068259188e-10 -4.521444642766006e-09 ] [ -1.081800068512195e-09 -6.380181330643277e-10 2.340360432931812e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.10941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.304712263048173e-18 } }