{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1156414 -0.6002772 -3.597383 ] [ -0.6996288 -0.0764541 -0.6753507 ] [ -1.1285727 -0.59035 -1.7124584 ] [ -2.1412267 4.0296547 4.1273951 ] [ 0.7604078 -1.0859165 0.9311609 ] [ 0.6900958 -1.3143026 -1.0405857 ] [ -0.9791803 0.2125736 -0.342276 ] [ -0.6175364 -0.574928 2.3094979 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.593984430676581e-09 -9.617500958392856e-10 -5.763642938663367e-09 ] [ -1.120928906598359e-09 -1.224929715843053e-10 -1.082031102380915e-09 ] [ -1.808172794813132e-09 -9.458449680892801e-10 -2.743660812572575e-09 ] [ -3.430623358572735e-09 6.456218550236838e-09 6.612815934024479e-09 ] [ 1.218307599433962e-09 -1.739830028440963e-09 1.491884224183087e-09 ] [ 1.105655356872273e-09 -2.105744898376654e-09 -1.667202080478803e-09 ] [ -1.56881978420793e-09 3.405804521192909e-10 -5.483866050609409e-10 ] [ -9.894023825729972e-10 -9.211362002433025e-10 3.700223541166697e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.604266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.704432258594434e-18 } }