{ "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" [ [ 2.8978533 -0.677205 3.0680583 ] [ -0.3061035 -0.8467299 -0.5906475 ] [ 1.4926831 1.4938535 0.0817824 ] [ -5.4592872 5.1291777 -7.8835697 ] [ 0.1902804 -0.1414053 -0.1235051 ] [ -4.1426616 2.087801 -1.2900944 ] [ 7.4278432 -6.439325 6.2916109 ] [ -2.1006078 -0.6061671 0.4463651 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.642872807768129e-09 -1.085002018488864e-09 4.915571279511393e-09 ] [ -4.904318712450528e-10 -1.356610849912322e-09 -9.463216156339681e-10 ] [ 2.391541965083269e-09 2.393417152600253e-09 1.310298492729139e-10 ] [ -8.746742318072695e-09 8.217848594868715e-09 -1.263087106178727e-08 ] [ 3.048628082764723e-10 -2.265562657172103e-10 -1.978769837695661e-10 ] [ -6.637275563405921e-09 3.345025951082861e-09 -2.066959086305004e-09 ] [ 1.190071671800826e-08 -1.031693596873296e-08 1.008027189115045e-08 ] [ -3.365544706630123e-09 -9.711867559181357e-10 7.151557275610542e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -64.552634 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.034247210058592e-17 } }