{ "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" [ 5.42356 0 0 ] "si-unit" "m" "si-value" [ 5.42356e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0141122 5.36968 0 ] "si-unit" "m" "si-value" [ 1.41122e-12 5.36968e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.125956 0.0899535 5.38067 ] "si-unit" "m" "si-value" [ -1.25956e-11 8.99535e-12 5.380670000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0132742 0.0797855 -0.0480858 ] [ 1.38077 1.28242 1.3281 ] [ 0.0139699 2.87381 2.72647 ] [ 1.34708 4.2887 4.09361 ] [ 2.73598 0.0766444 2.67003 ] [ 4.1072 1.37855 3.98819 ] [ 2.71459 2.70679 -0.0921964 ] [ 4.08895 4.12737 1.11939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.32742e-12 7.97855e-12 -4.80858e-12 ] [ 1.38077e-10 1.28242e-10 1.3281e-10 ] [ 1.39699e-12 2.873810000000001e-10 2.72647e-10 ] [ 1.34708e-10 4.2887e-10 4.09361e-10 ] [ 2.73598e-10 7.66444e-12 2.67003e-10 ] [ 4.1072e-10 1.37855e-10 3.98819e-10 ] [ 2.71459e-10 2.70679e-10 -9.21964e-12 ] [ 4.08895e-10 4.12737e-10 1.11939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1289408 0.0349231 0.1668729 ] [ -0.0711794 0.319354 0.1386609 ] [ 0.0509461 0.0143831 -0.1623895 ] [ -0.0033257 -0.0717963 -0.1009739 ] [ 0.1470193 -0.1338217 -0.096973 ] [ -0.1280175 0.3756933 -0.2304265 ] [ -0.0286028 -0.267617 0.0439456 ] [ -0.0957808 -0.2711186 0.2412836 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.065859352272486e-10 5.595297434586048e-11 2.673598590250963e-10 ] [ -1.140419705625715e-10 5.116615125589632e-10 2.221592521990867e-10 ] [ 8.162465034093889e-11 2.304426655462848e-11 -2.601766603634016e-10 ] [ -5.32835878779456e-12 -1.15030353319943e-10 -1.617780218909971e-10 ] [ 2.355508852663815e-10 -2.144059990957113e-10 -1.553678734488384e-10 ] [ -2.05106645553264e-10 6.019270218512006e-10 -3.691839511127712e-10 ] [ -4.582673744941824e-11 -4.287697007286336e-10 7.040861290702849e-11 ] [ -1.534577584815206e-10 -4.343798823840268e-10 3.865789429024589e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 31.554024 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.05551195449621e-18 } }