{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.424348 0.3445969 0.1594863 ] [ 0.2868598 0.0361645 -0.9744604 ] [ 0.0022794 0.037228 -0.4345247 ] [ 0.7631268 -0.2282828 0.6240107 ] [ -0.6700629 -0.1095857 -0.1129067 ] [ 0.1135712 -0.412326 1.4913499 ] [ -0.0907954 0.5206922 0.5671615 ] [ 0.019369 -0.1884871 -1.3201167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.798804446832384e-10 5.521050967801556e-10 2.55525221197895e-10 ] [ 4.596000650073638e-10 5.794191640292161e-11 -1.561257670775416e-09 ] [ 3.65200138945152e-12 5.96458312391424e-11 -6.961853155001337e-10 ] [ 1.222663917665917e-09 -3.657493650907623e-10 9.997753546690427e-10 ] [ -1.073559112845448e-09 -1.755756465140025e-10 -1.808964750716794e-10 ] [ 1.81961121436201e-10 -6.606190773479809e-10 2.389405943212418e-09 ] [ -1.454702671561843e-10 8.342408694729179e-10 9.086928955178592e-10 ] [ 3.10325589682752e-11 -3.019896249423917e-10 -2.115060113467648e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.775044 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.892011572569132e-18 } }