{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -38.8668479 -45.0771298 -46.4679327 ] [ -15.6691772 -52.8729666 135.6198491 ] [ 12.086586 -9.6460469 6.2696148 ] [ -364.0382404 -566.7171106 383.6192923 ] [ 345.1860819 556.6105306 -403.4092792 ] [ 12.5911702 9.1107607 16.3460166 ] [ 59.8377186 97.203393 -87.878369 ] [ -11.1272912 11.3885696 -4.099192 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.227155554261197e-08 -7.22215240933451e-08 -7.444983600222453e-08 ] [ -2.510478958384554e-08 -8.47118316567824e-08 2.172869533346259e-07 ] [ 1.936484567403152e-08 -1.545467095364813e-08 1.004503033674058e-08 ] [ -5.832535626513548e-07 -9.079809126913136e-07 6.146258664746761e-07 ] [ 5.530490748021903e-07 8.917883863656619e-07 -6.463329210730221e-07 ] [ 2.01732786891571e-08 1.459704791150548e-08 2.618920585549612e-08 ] [ 9.587059457278719e-08 1.557370050101192e-07 -1.407966694458299e-07 ] [ -1.782788596035382e-08 1.824650010780272e-08 -6.567629640679727e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 142.60111 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.284721664244637e-17 } }