{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2778077 0.1125365 -0.5114348 ] [ 0.4000165 -0.6542657 -0.3109826 ] [ -0.919434 0.6688914 0.4336917 ] [ -1.2001684 1.4945609 -0.9990442 ] [ -0.3135024 -0.379678 -0.1100347 ] [ 1.5799344 -0.8517291 -0.3350096 ] [ 0.1240018 -0.4913493 1.0791874 ] [ 0.6069597 0.1010332 0.7536268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.450970020182202e-10 1.803033492866592e-10 -8.194088796235238e-10 ] [ 6.408970842342432e-10 -1.048249208331347e-09 -4.982490511955981e-10 ] [ -1.473095659168627e-09 1.071682162934181e-09 6.948507023750073e-10 ] [ -1.922881751502943e-09 2.394550532341807e-09 -1.60064526038584e-09 ] [ -5.0228621584469e-10 -6.083112150321024e-10 -1.762950238167418e-10 ] [ 2.531333958077675e-09 -1.364620451275025e-09 -5.367445488635597e-10 ] [ 1.986727848971174e-10 -7.872283611064454e-10 1.729048821741938e-09 ] [ 9.724566411077817e-10 1.618730309646106e-10 1.207443239768318e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.634410038775915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.825343948572759e-18 } }