{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5426754 2.0079653 -1.2322747 ] [ 1.2057761 -1.3026722 -0.7974063 ] [ 3.4210757 -0.6422976 1.1502518 ] [ -0.1710764 -0.9202656 1.2476623 ] [ 0.0111899 0.8889678 -1.553451 ] [ -1.6209291 -1.6169323 2.693983 ] [ -0.8116684 -0.4730914 -0.428021 ] [ -3.5770431 2.0583259 -1.080744 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.471638479726603e-09 3.2171150855428e-09 -1.97432173100936e-09 ] [ 1.931866293255647e-09 -2.087110960601374e-09 -1.277585741664394e-09 ] [ 5.481167549685192e-09 -1.029074206794278e-09 1.842906557176441e-09 ] [ -2.740946107088375e-10 -1.47442804139399e-09 1.998975384182698e-09 ] [ 1.79281963167966e-11 1.424283437538385e-09 -2.488902894263933e-09 ] [ -2.597014729390649e-09 -2.590611149819878e-09 4.316236614993222e-09 ] [ -1.300436145036166e-09 -7.579759868263475e-10 -6.857652450613138e-10 ] [ -5.731054873630925e-09 3.29780166213702e-09 -1.731542784135696e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.628642 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708337771355102e-18 } }