{ "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" [ [ 1.3944282 -0.4775613 0.3613595 ] [ -0.5263637 2.1293359 0.1685062 ] [ 0.2662107 -0.6366218 -1.0461067 ] [ -0.4774583 -0.9056722 -0.8794356 ] [ 0.522655 -0.5683967 -0.4489027 ] [ -1.33117 1.9774667 -0.5642583 ] [ 0.6169551 -0.8270058 0.2775651 ] [ -0.4652571 -0.6915449 2.1312726 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.234120261424226e-09 -7.651375498588551e-10 5.789617426039776e-10 ] [ -8.43327614177785e-10 3.411572196810127e-09 2.69976694099849e-10 ] [ 4.265165597468026e-10 -1.019980564251613e-09 -1.676047697602239e-09 ] [ -7.649725256669127e-10 -1.451046824948502e-09 -1.40901115781922e-09 ] [ 8.373856217442239e-10 -9.106719040798714e-10 -7.192214109539962e-10 ] [ -2.132769452310336e-09 3.168250915150527e-09 -9.040414563523526e-10 ] [ 9.884710373033261e-10 -1.325009358026001e-09 4.447083139700141e-10 ] [ -7.454240482812077e-10 -1.107977071013474e-09 3.41467513227163e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.886264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.50656604974567e-18 } }