{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7607376 0.4952309 0.9213223 ] [ 1.3876316 -1.1972825 0.4067422 ] [ 0.706984 1.0419495 0.2351022 ] [ -1.2024444 0.2146709 -4.4183361 ] [ -0.3749136 -0.7913137 -0.9464111 ] [ -3.0281161 2.4207929 0.7204596 ] [ 2.5466011 -2.0161955 1.9194061 ] [ -0.7964802 -0.1678524 1.1617147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.218836007325238e-09 7.934473764147905e-10 1.476121061443138e-09 ] [ 2.223230926120034e-09 -1.918258045797105e-09 6.516728489017547e-10 ] [ 1.132713245411856e-09 1.669387142707983e-09 3.766752514419948e-10 ] [ -1.926528321364149e-09 3.439406999797505e-10 -7.078954860578688e-09 ] [ -6.006778096888224e-10 -1.267824320304086e-09 -1.516317750578237e-09 ] [ -4.851576860459208e-09 3.878537820133098e-09 1.154303536860986e-09 ] [ 4.080104778538698e-09 -3.230301319675946e-09 3.075227604577067e-09 ] [ -1.276101965883647e-09 -2.689291932408216e-10 1.86127214771432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -331.76858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.315518667713597e-17 } }