{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6250437 3.363064 -19.1382699 ] [ 0.2282409 17.6434986 -3.142353 ] [ 3.9529255 -2.2720669 -0.0274797 ] [ 2.1545482 1.6284096 3.4755015 ] [ 9.8991273 -7.7871411 11.4494016 ] [ 6.4205397 -13.908022 -9.1680392 ] [ -17.1315957 5.1050304 6.5755059 ] [ -9.1488296 -3.7727726 9.9757327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.807960265518329e-09 5.388222515054131e-09 -3.066288859634036e-08 ] [ 3.656822338903508e-10 2.826800096603753e-08 -5.034604510900743e-09 ] [ 6.33328481986415e-09 -3.640252468073532e-09 -4.402733288659776e-11 ] [ 3.451966754426722e-09 2.608999790206279e-09 5.568367248855332e-09 ] [ 1.586015032638303e-08 -1.247637541329079e-08 1.834396356567011e-08 ] [ 1.028683860025825e-08 -2.228310768997206e-08 -1.468881806481794e-08 ] [ -2.744784210753781e-08 8.179160355353274e-09 1.053512182291246e-08 ] [ -1.465804089280302e-08 -6.044648055314831e-09 1.598288570729006e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.185485 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.996465497530909e-18 } }