{ "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" [ [ 0.3638261 4.7801358 -3.7004806 ] [ -2.1924288 -0.1446008 4.1885238 ] [ 2.4201792 0.2642675 5.4808035 ] [ -5.876104 -3.8552473 -5.5754967 ] [ 0.1570285 -2.0306871 -4.420056 ] [ 5.2916673 2.2979857 -0.3904774 ] [ 4.2424549 0.8181839 0.6954198 ] [ -4.4066232 -2.1300377 3.7217637 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.829136714568429e-10 7.658621823009105e-09 -5.928823503043956e-09 ] [ -3.512658166128599e-09 -2.316760211089767e-10 6.710754908024374e-09 ] [ 3.877554532386447e-09 4.23403210137264e-10 8.781215230898812e-09 ] [ -9.414556450189363e-09 -6.176787091462324e-09 -8.932930462087554e-09 ] [ 2.515873914992928e-10 -3.253519395780152e-09 -7.081710385826765e-09 ] [ 8.47818563311186e-09 3.681778963472723e-09 -6.256137612307699e-10 ] [ 6.797162055578402e-09 1.310875116094965e-09 1.114185345201412e-09 ] [ -7.060188667714883e-09 -3.412696604362604e-09 5.962922788282105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.137454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.745722813883545e-18 } }