{ "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" [ [ 6.5164045 -2.3010485 1.9480221 ] [ -2.2080315 5.224422 -0.9175216 ] [ 0.5745529 -0.9312514 -2.0774067 ] [ -2.000194 -0.5063352 -1.8271534 ] [ 2.7042144 -2.7312312 -0.3463557 ] [ -5.172352 6.6333496 -3.1402902 ] [ 1.6574536 -3.5627053 0.4330531 ] [ -2.0720478 -1.8251999 5.9276524 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.044043094157591e-08 -3.686686110026909e-09 3.12107546542172e-09 ] [ -3.537656447289955e-09 8.370446785593177e-09 -1.470031656599009e-09 ] [ 9.205352237928405e-10 -1.492029221167269e-09 -3.328372446633279e-09 ] [ -3.204664063864435e-09 -8.112384197280922e-10 -2.927422460095231e-09 ] [ 4.3326290893107e-09 -4.375914774639529e-09 -5.549230050208185e-10 ] [ -8.287021448948122e-09 1.062779764671303e-08 -5.031299540967357e-09 ] [ 2.655533407980795e-09 -5.70808313846025e-09 6.938275523849645e-10 ] [ -3.319786542340074e-09 -2.924292608066498e-09 9.49714609150901e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.9535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.60016805151328e-18 } }