{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.5082358 11.197211 10.4172449 ] [ -19.3785308 -16.2653987 7.1662202 ] [ -9.2925975 -14.3877448 -9.9011167 ] [ 15.0364807 -0.6484139 4.2116298 ] [ 1.1848534 1.1504874 -2.1786792 ] [ 3.9025292 3.2897874 0.9054315 ] [ 16.2434971 13.9774874 -8.5805097 ] [ 0.8120038 1.6865843 -2.0402208 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.363169648301358e-08 1.793990968236459e-08 1.669026623192803e-08 ] [ -3.104782899321272e-08 -2.606004152513071e-08 1.14815504639447e-08 ] [ -1.488838246100453e-08 -2.305170834459677e-08 -1.586333769655245e-08 ] [ 2.409109783665042e-08 -1.038873591181749e-09 6.74777480102458e-09 ] [ 1.898344416555391e-09 1.843284014804978e-09 -3.490628878463247e-09 ] [ 6.252541046229328e-09 5.270820459682417e-09 1.450661181035875e-09 ] [ 2.60249512936526e-08 2.239440352980658e-08 -1.374749203588762e-08 ] [ 1.300973504360759e-09 2.702205934468333e-09 -3.268794067029873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.522687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.448314592819609e-18 } }