{ "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" [ [ 1.4084917 0.0366597 2.0743926 ] [ -0.2138299 -0.5189285 0.0278358 ] [ 1.4407815 1.5375677 0.2777446 ] [ -1.4174951 0.6676345 -3.352349 ] [ 0.0199656 0.092737 -0.4892611 ] [ -2.0844585 0.8060572 -0.8772038 ] [ 2.9674918 -2.2209877 1.6583317 ] [ -2.1209472 -0.4007399 0.6805093 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.256652472330847e-09 5.873531426554176e-11 3.323543326080526e-09 ] [ -3.425932666080019e-10 -8.314151105668128e-10 4.459786798126464e-11 ] [ 2.308386434981155e-09 2.463455021837228e-09 4.449959046734477e-10 ] [ -2.271077509318558e-09 1.069668387139498e-09 -5.371055192562258e-09 ] [ 3.198841754024448e-11 1.485810532831296e-10 -7.83882695886891e-10 ] [ -3.339670675727837e-09 1.29144600086751e-09 -1.405435420036919e-09 ] [ 4.754445984375709e-09 -3.558414568024364e-09 2.656940279271519e-09 ] [ -3.398132017791221e-09 -6.4205609880173e-10 1.090296090696973e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.730282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724622247499107e-18 } }