{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5614904 -1.5613412 -7.0322997 ] [ 8.8947268 14.2499746 7.3857611 ] [ 5.8289402 -3.6184036 4.2265147 ] [ -6.4417486 3.5644765 -17.6160354 ] [ -0.5718754 -5.1135871 -2.4787315 ] [ 12.0904708 -6.4357373 -4.0618419 ] [ 0.6458789 -4.7674369 18.8933679 ] [ -4.8849022 3.6820549 0.6832648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.493225610368364e-08 -2.501544367731817e-09 -1.126698616979885e-08 ] [ 1.42509233273632e-08 2.283097615111383e-08 1.183329376123409e-08 ] [ 9.338991712481276e-09 -5.797321652538555e-09 6.771623039807526e-09 ] [ -1.032081900399113e-08 5.710920913691011e-09 -2.822400006906518e-08 ] [ -9.162453958906484e-10 -8.192869700044472e-09 -3.971365658540515e-09 ] [ 1.937106965022507e-08 -1.031118783967052e-08 -6.507788129565852e-09 ] [ 1.034812073448021e-09 -7.638275942319227e-09 3.027051233755319e-08 ] [ -7.826476099734486e-09 5.899302277282082e-09 1.094710888375588e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.852529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.103337727715401e-18 } }