{ "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" [ [ 1.5122879 -0.6808326 0.0751582 ] [ -0.5135061 1.5668384 -0.2143018 ] [ 0.1831287 -0.7582453 -0.7555283 ] [ -0.674914 -0.5535575 -0.629852 ] [ 0.4338047 -0.436675 -0.2890736 ] [ -1.317568 1.4821582 -0.227793 ] [ 0.8037635 -0.5082395 0.1757117 ] [ -0.4269967 -0.1114468 1.8656787 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.422952317298729e-09 -1.090814074398478e-09 1.204167109014105e-10 ] [ -8.227274680581868e-10 2.510351853051679e-09 -3.433493337553574e-10 ] [ 2.93404521737497e-10 -1.214842892491482e-09 -1.210489778612769e-09 ] [ -1.081331431850611e-09 -8.868968847684961e-10 -1.009134148964122e-09 ] [ 6.950317483331577e-10 -6.9963047588784e-10 -4.631469636104909e-10 ] [ -2.110976645914214e-09 2.37467921636701e-09 -3.649646189818944e-10 ] [ 1.287771088352381e-09 -8.142894446670815e-10 2.815211777410234e-10 ] [ -6.841241298987514e-10 -1.785574574229734e-10 2.989146795064537e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.917162 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.914781386268617e-18 } }