{ "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" [ 5.50751 0 0 ] "si-unit" "m" "si-value" [ 5.50751e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0552432 5.46365 0 ] "si-unit" "m" "si-value" [ 5.52432e-12 5.46365e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.041151 -0.173599 5.4807 ] "si-unit" "m" "si-value" [ -4.115100000000001e-12 -1.73599e-11 5.4807e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0203681 -0.0104771 -0.043973 ] [ 1.36957 1.30557 1.36025 ] [ 0.0138031 2.57027 2.84477 ] [ 1.29725 4.08516 4.13225 ] [ 2.77149 -0.00701058 2.61036 ] [ 3.98017 1.30013 4.07827 ] [ 2.6961 2.74296 0.249943 ] [ 4.17055 4.00651 1.44609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03681e-12 -1.04771e-12 -4.3973e-12 ] [ 1.36957e-10 1.30557e-10 1.36025e-10 ] [ 1.38031e-12 2.57027e-10 2.84477e-10 ] [ 1.29725e-10 4.08516e-10 4.13225e-10 ] [ 2.77149e-10 -7.01058e-13 2.61036e-10 ] [ 3.98017e-10 1.30013e-10 4.07827e-10 ] [ 2.6961e-10 2.74296e-10 2.49943e-11 ] [ 4.170550000000001e-10 4.00651e-10 1.44609e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.145216 1.4421739 1.4480487 ] [ -1.0786797 -0.2255789 0.7072987 ] [ -0.3579137 0.8205625 -0.6488784 ] [ 3.4203041 -1.9755227 -1.1961069 ] [ -1.5402321 -1.2411738 2.0341897 ] [ 0.9650453 -0.3087015 1.9110831 ] [ -0.1637475 0.9639981 -3.8352252 ] [ 1.9004396 0.5242423 -0.4204098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.039191542566093e-09 2.310617305707957e-09 2.320029772919833e-09 ] [ -1.728235396671558e-09 -3.614172397257811e-10 1.133217441062233e-09 ] [ -5.73440962404025e-10 1.3146860534052e-09 -1.039617802222111e-09 ] [ 5.479931265046385e-09 -3.165136283799692e-09 -1.916374511157564e-09 ] [ -2.467723861225688e-09 -1.988579644709495e-09 3.259131179612166e-09 ] [ 1.546173017672922e-09 -4.945943261058912e-10 3.061892663225989e-09 ] [ -2.62352416214448e-10 1.54449521831562e-09 -6.144708150943004e-09 ] [ 3.044839896362503e-09 8.3992875669442e-10 -6.735707527152039e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.740961 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.726333211912459e-18 } }