{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8424918 2.7711451 3.0655705 ] [ -1.4333847 1.0533715 -0.654843 ] [ 0.0330351 -0.4660634 -0.90872 ] [ 2.6314128 -1.6660964 -2.825765 ] [ -0.0056755 1.3717771 1.2198312 ] [ 1.0555619 -2.3926854 -2.1283252 ] [ -0.5768672 1.5783175 3.9973596 ] [ 0.1384094 -2.249766 -1.7651081 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.951997285975709e-09 4.439863892064478e-09 4.911585384514167e-09 ] [ -2.296535454952422e-09 1.687687190317027e-09 -1.049174144894534e-09 ] [ 5.292806488579008e-11 -7.467158832905587e-10 -1.455929938853376e-09 ] [ 4.215988067833867e-09 -2.669380700079045e-09 -4.527374618874913e-09 ] [ -9.0931534113504e-12 2.197829198568824e-09 1.954385029962409e-09 ] [ 1.691196597987228e-09 -3.833504608809497e-09 -3.409952876899484e-09 ] [ -9.242431411463578e-10 2.528743398699505e-09 6.404476096050439e-09 ] [ 2.217563047789555e-10 -3.604522487470733e-09 -2.828014931004708e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.506472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.688763932548982e-18 } }